From d4a9e038a3d0e7f0dea6b590b778f8c0786ed5bb Mon Sep 17 00:00:00 2001 From: avdudchenko <33663878+avdudchenko@users.noreply.github.com> Date: Sun, 22 Mar 2026 23:59:01 -0400 Subject: [PATCH 01/14] add dll and new data --- .github/copilot-instructions.md | 43 + .github/workflows/checks.yml | 93 + phreeqcinwt.yml | 6 +- requirements.txt | 2 + src/phreeqcinwt.egg-info/SOURCES.txt | 6 +- src/phreeqcinwt/databases/Amm.dat | 2370 +- src/phreeqcinwt/databases/Tipping_Hurley.dat | 4781 +-- src/phreeqcinwt/databases/core10.dat | 4 +- src/phreeqcinwt/databases/frezchem.dat | 2 +- src/phreeqcinwt/databases/iso.dat | 5894 ++-- src/phreeqcinwt/databases/llnl.dat | 23812 +++++++------- .../databases/metadata/phreeqc_PHASES.yaml | 227 + src/phreeqcinwt/databases/minteq.dat | 8718 ++--- src/phreeqcinwt/databases/minteq.v4.dat | 19238 +++++------ src/phreeqcinwt/databases/phreeqc.dat | 2377 +- src/phreeqcinwt/databases/pitzer.dat | 874 +- src/phreeqcinwt/databases/sit.dat | 26867 ++++++++-------- src/phreeqcinwt/databases/wateq4f.dat | 4460 +-- src/phreeqcinwt/examples/simple_ph_adjust.py | 4 +- .../phreeqc_com/3_8_6-1700/IPhreeqc.dll | Bin 0 -> 2004480 bytes .../phreeqc_user_rights_notice.txt | 0 src/phreeqcinwt/phreeqc_wt_api.py | 19 +- src/phreeqcinwt/tests/__init__.py | 0 src/phreeqcinwt/tests/generate_test_data.py | 79 + .../tests/test_data/llnl_solution.json | 1526 + .../tests/test_data/minteq_solution.json | 764 + .../tests/test_data/minteq_v4_solution.json | 782 + .../tests/test_data/phreeqc_solution.json | 762 + .../tests/test_data/pitzer_solution.json | 574 + .../tests/test_data/wateq4f_solution.json | 808 + src/phreeqcinwt/tests/test_solution_build.py | 135 + 31 files changed, 55174 insertions(+), 50053 deletions(-) create mode 100644 .github/copilot-instructions.md create mode 100644 .github/workflows/checks.yml create mode 100644 src/phreeqcinwt/databases/metadata/phreeqc_PHASES.yaml create mode 100644 src/phreeqcinwt/phreeqc_com/3_8_6-1700/IPhreeqc.dll create mode 100644 src/phreeqcinwt/phreeqc_com/phreeqc_user_rights_notice.txt create mode 100644 src/phreeqcinwt/tests/__init__.py create mode 100644 src/phreeqcinwt/tests/generate_test_data.py create mode 100644 src/phreeqcinwt/tests/test_data/llnl_solution.json create mode 100644 src/phreeqcinwt/tests/test_data/minteq_solution.json create mode 100644 src/phreeqcinwt/tests/test_data/minteq_v4_solution.json create mode 100644 src/phreeqcinwt/tests/test_data/phreeqc_solution.json create mode 100644 src/phreeqcinwt/tests/test_data/pitzer_solution.json create mode 100644 src/phreeqcinwt/tests/test_data/wateq4f_solution.json create mode 100644 src/phreeqcinwt/tests/test_solution_build.py diff --git a/.github/copilot-instructions.md b/.github/copilot-instructions.md new file mode 100644 index 0000000..e5fec57 --- /dev/null +++ b/.github/copilot-instructions.md @@ -0,0 +1,43 @@ +# Project Guidelines + +## Overview + +phreeqcinwt is a Python wrapper around PHREEQC (via `phreeqpy`) for aqueous geochemistry modeling in water treatment applications. It provides a dict-driven API for simulating water chemistry, predicting mineral scaling, and calculating solution properties. + +## Code Style + +- **Formatter**: Black 24.8.0 — all code must pass `black --check .` +- **Naming**: `snake_case` for functions/variables, `PascalCase` for classes (note: existing classes like `phreeqcWTapi` and `dataBaseManagment` use non-standard casing — follow existing patterns when modifying those classes) +- **Private methods**: Prefix with `_` (e.g., `_get_solution_comp()`) +- **Data interchange**: Use dicts with `{"value": X, "units": "..."}` structure for API outputs + +## Architecture + +The main class `phreeqcWTapi` in `src/phreeqcinwt/phreeqc_wt_api.py` uses **mixin inheritance**: + +| Mixin | File | Purpose | +|-------|------|---------| +| `dataBaseManagment` | `core/data_base_utils.py` | Database loading, metadata management | +| `utilities` | `core/utility_functions.py` | Ion lookup, solution management, logging | +| `reaction_utils` | `core/reaction_utils.py` | Evaporation, pH adjust, mixing, reactions | +| `solution_utils` | `core/solution_state_utils.py` | Extract state: activities, osmotic pressure, scaling | + +Database metadata lives in `databases/metadata/` as YAML files. Reactant definitions are in `databases/defined_reactants.yaml`. + +## Build and Test + +- **Python**: 3.10–3.13 +- **Install (dev)**: `conda env create -f phreeqcinwt.yml && pip install -e .` +- **Install (pip)**: `pip install git+` +- **Build system**: setuptools + setuptools_scm (version from git tags) +- **Test**: `pytest --pyargs phreeqcinwt` +- **Format check**: `black --check .` +- **Dependencies**: `numpy`, `pyyaml`, `molmass`, `phreeqpy` + +## Conventions + +- PHREEQC commands are built as strings and executed via `run_string()` with optional command logging (`self.command_log`) +- Input compositions accept both scalar values and dicts with `value`/`formula`/`mw` keys +- The project targets **Windows** primarily (PHREEQC COM DLL); Linux/Mac support is aspirational +- Example scripts in `examples/` serve as informal integration tests +- Keep YAML metadata files in sync when modifying database handling logic diff --git a/.github/workflows/checks.yml b/.github/workflows/checks.yml new file mode 100644 index 0000000..efc9684 --- /dev/null +++ b/.github/workflows/checks.yml @@ -0,0 +1,93 @@ +name: Checks +on: + push: + branches: [main] + tags: ['*'] + pull_request: + branches: [main] + +concurrency: + group: ${{ github.head_ref }} + cancel-in-progress: true + +env: + PYTEST_ADDOPTS: --color=yes + PIP_PROGRESS_BAR: "off" + KERNEL_NAME: phreeqcinwt +defaults: + run: + # -l: login shell, needed when using Conda: + shell: bash -l {0} + +jobs: + code-formatting: + name: Check code is formatted (Black) + # OS and/or Python version don't make a difference, so we choose ubuntu and 3.12 as defaults + runs-on: ubuntu-latest + steps: + - uses: actions/checkout@v4 + - uses: actions/setup-python@v5 + with: + python-version: '3.12' + - name: Install Black + # unlike the other jobs, we don't need to install all the dev dependencies, + # but we still want to specify the Black version to use in requirements-dev.txt for local development + # so we extract the relevant line and pass it to a simple `pip install` + run: | + black_requirement="$(grep '^black==' requirements-dev.txt)" + pip install "$black_requirement" + - name: Run Black to verify that the committed code is formatted + run: | + black --check . + + pytest-dev: + name: pytest (${{ matrix.os }}/${{ matrix.python-version }}/${{ matrix.install-mode }}/${{ matrix.pytest_folders }}) + runs-on: ${{ matrix.os-version }} + needs: [code-formatting] + strategy: + fail-fast: false + matrix: + install-mode: + - dev + - standard + python-version: + - '3.10' + - '3.11' + - '3.12' + - '3.13' + os: + # - linux + # - mac + - win64 + include: + - os: linux + os-version: ubuntu-22.04 # + # - os: mac + # os-version: macos-15 + - os: win64 + os-version: windows-2022 + - install-mode: dev + python-version: "3.12" # choice of Python version is arbitrary among those in matrix + steps: + - if: matrix.install-mode == 'dev' + uses: actions/checkout@v4 + - uses: conda-incubator/setup-miniconda@v3 + with: + python-version: ${{ matrix.python-version }} + miniforge-version: latest + channels: conda-forge + activate-environment: phreeqcinwt + - if: matrix.install-mode == 'dev' + name: Install via conda.yaml + run: | + conda env update --file phreeqcinwt.yaml + pip list + - if: matrix.install-mode == 'standard' + name: Install (standard) + run: | + pip install "git+${{ format('{0}/{1}@{2}', github.server_url, github.repository, github.ref) }}" + - name: Run pytest + run: | + pip install pytest # ensure pytest is installed (should do nothing if already present from requirements-dev.txt) + pytest --pyargs phreeqcinwt + \ No newline at end of file diff --git a/phreeqcinwt.yml b/phreeqcinwt.yml index 6e7a5f3..46769b7 100644 --- a/phreeqcinwt.yml +++ b/phreeqcinwt.yml @@ -3,12 +3,8 @@ channels: - conda-forge - defaults dependencies: - - python=3.11* + - python=3.12* - pip - - numpy - - pyyaml - - molmass - pip: - - phreeqpy - -r requirements.txt diff --git a/requirements.txt b/requirements.txt index d824de7..cd6b0dc 100644 --- a/requirements.txt +++ b/requirements.txt @@ -1 +1,3 @@ +black==24.8.0 +pytest-cov --editable . \ No newline at end of file diff --git a/src/phreeqcinwt.egg-info/SOURCES.txt b/src/phreeqcinwt.egg-info/SOURCES.txt index b85a0df..ce35eb8 100644 --- a/src/phreeqcinwt.egg-info/SOURCES.txt +++ b/src/phreeqcinwt.egg-info/SOURCES.txt @@ -41,6 +41,7 @@ src/phreeqcinwt/databases/metadata/minteq.v4_PHASES.yaml src/phreeqcinwt/databases/metadata/minteq.v4_SOLUTION_MASTER_SPECIES.yaml src/phreeqcinwt/databases/metadata/minteq_PHASES.yaml src/phreeqcinwt/databases/metadata/minteq_SOLUTION_MASTER_SPECIES.yaml +src/phreeqcinwt/databases/metadata/phreeqc_SOLUTION_MASTER_SPECIES.yaml src/phreeqcinwt/databases/metadata/pitzer_PHASES.yaml src/phreeqcinwt/databases/metadata/pitzer_SOLUTION_MASTER_SPECIES.yaml src/phreeqcinwt/databases/metadata/wateq4f_PHASES.yaml @@ -68,4 +69,7 @@ src/phreeqcinwt/examples/simple_vapor_pressure_comp.py src/phreeqcinwt/examples/examples_for_api_dev/simple_soft_sweep.py src/phreeqcinwt/examples/examples_for_api_dev/simple_water_reconciliation.py src/phreeqcinwt/examples/examples_for_api_dev/test_api.py -src/phreeqcinwt/examples/examples_for_api_dev/test_api_sr_br.py \ No newline at end of file +src/phreeqcinwt/examples/examples_for_api_dev/test_api_sr_br.py +src/phreeqcinwt/tests/__init__.py +src/phreeqcinwt/tests/generate_test_data.py +src/phreeqcinwt/tests/test_solution_build.py \ No newline at end of file diff --git a/src/phreeqcinwt/databases/Amm.dat b/src/phreeqcinwt/databases/Amm.dat index db9a8c3..c095a39 100644 --- a/src/phreeqcinwt/databases/Amm.dat +++ b/src/phreeqcinwt/databases/Amm.dat @@ -1,1337 +1,1425 @@ -# PHREEQC.DAT for calculating pressure dependence of reactions, with -# molal volumina of aqueous species and of minerals, and -# critical temperatures and pressures of gases used in Peng-Robinson's EOS. +# Amm.dat for calculating temperature and pressure dependence of reactions, and the specific conductance and viscosity of the solution. Based on: +# diffusion coefficients and molal volumina of aqueous species, solubility and volume of minerals, and critical temperatures and pressures of gases in Peng-Robinson's EOS. # Details are given at the end of this file. SOLUTION_MASTER_SPECIES # -#element species alk gfw_formula element_gfw +#element species alk gfw_formula element_gfw # -H H+ -1.0 H 1.008 -H(0) H2 0 H -H(1) H+ -1.0 0 -E e- 0 0.0 0 -O H2O 0 O 16.0 -O(0) O2 0 O -O(-2) H2O 0 0 -Ca Ca+2 0 Ca 40.08 -Mg Mg+2 0 Mg 24.312 -Na Na+ 0 Na 22.9898 -K K+ 0 K 39.102 -Fe Fe+2 0 Fe 55.847 -Fe(+2) Fe+2 0 Fe -Fe(+3) Fe+3 -2.0 Fe -Mn Mn+2 0 Mn 54.938 -Mn(+2) Mn+2 0 Mn -Mn(+3) Mn+3 0 Mn -Al Al+3 0 Al 26.9815 -Ba Ba+2 0 Ba 137.34 -Sr Sr+2 0 Sr 87.62 -Si H4SiO4 0 SiO2 28.0843 -Cl Cl- 0 Cl 35.453 -C CO3-2 2.0 HCO3 12.0111 -C(+4) CO3-2 2.0 HCO3 -C(-4) CH4 0 CH4 -Alkalinity CO3-2 1.0 Ca0.5(CO3)0.5 50.05 -S SO4-2 0 SO4 32.064 -S(6) SO4-2 0 SO4 -S(-2) HS- 1.0 S -N NO3- 0 N 14.0067 -N(+5) NO3- 0 NO3 -N(+3) NO2- 0 NO2 -N(0) N2 0 N -# N(-3) NH4+ NH4 14.0067 -Amm AmmH+ 0 AmmH 17.031 -B H3BO3 0 B 10.81 -P PO4-3 2.0 P 30.9738 -F F- 0 F 18.9984 -Li Li+ 0 Li 6.939 -Br Br- 0 Br 79.904 -Zn Zn+2 0 Zn 65.37 -Cd Cd+2 0 Cd 112.4 -Pb Pb+2 0 Pb 207.19 -Cu Cu+2 0 Cu 63.546 -Cu(+2) Cu+2 0 Cu -Cu(+1) Cu+1 0 Cu -# redox-uncoupled gases -Hdg Hdg 0 Hdg 2.016 # H2 gas -Oxg Oxg 0 Oxg 32 # O2 gas -Mtg Mtg 0 Mtg 16.032 # CH4 gas -Sg H2Sg 1.0 H2Sg 34.08 -Ntg Ntg 0 Ntg 28.0134 # N2 gas +H H+ -1 H 1.008 +H(0) H2 0 H +H(1) H+ -1 H +E e- 1 0 0 +O H2O 0 O 16 +O(0) O2 0 O +O(-2) H2O 0 0 +Ca Ca+2 0 Ca 40.08 +Mg Mg+2 0 Mg 24.312 +Na Na+ 0 Na 22.9898 +K K+ 0 K 39.102 +Fe Fe+2 0 Fe 55.847 +Fe(+2) Fe+2 0 Fe +Fe(+3) Fe+3 -2 Fe +Mn Mn+2 0 Mn 54.938 +Mn(+2) Mn+2 0 Mn +Mn(+3) Mn+3 0 Mn +Al Al+3 0 Al 26.9815 +Ba Ba+2 0 Ba 137.34 +Sr Sr+2 0 Sr 87.62 +Si H4SiO4 0 SiO2 28.0843 +Cl Cl- 0 Cl 35.453 +C CO3-2 2 HCO3 12.0111 +C(+4) CO3-2 2 HCO3 +C(-4) CH4 0 CH4 +Alkalinity CO3-2 1 Ca0.5(CO3)0.5 50.05 +S SO4-2 0 SO4 32.064 +S(6) SO4-2 0 SO4 +S(-2) HS- 1 S +N NO3- 0 N 14.0067 +N(+5) NO3- 0 NO3 +N(+3) NO2- 0 NO2 +N(0) N2 0 N +#N(-3) NH4+ 0 NH4 14.0067 +Amm AmmH+ 0 AmmH 17.031 +B H3BO3 0 B 10.81 +P PO4-3 2 P 30.9738 +F F- 0 F 18.9984 +Li Li+ 0 Li 6.939 +Br Br- 0 Br 79.904 +Zn Zn+2 0 Zn 65.37 +Cd Cd+2 0 Cd 112.4 +Pb Pb+2 0 Pb 207.19 +Cu Cu+2 0 Cu 63.546 +Cu(+2) Cu+2 0 Cu +Cu(+1) Cu+1 0 Cu +# redox-uncoupled gases +Hdg Hdg 0 Hdg 2.016 # H2 gas +Oxg Oxg 0 Oxg 32 # O2 gas +Mtg Mtg 0 Mtg 16.032 # CH4 gas +Sg H2Sg 0 H2Sg 32.064 # H2S gas +Ntg Ntg 0 Ntg 28.0134 # N2 gas SOLUTION_SPECIES H+ = H+ - -gamma 9.0 0 - -dw 9.31e-9 1000 0.46 1e-10 # The dw parameters are defined in ref. 3. -# Dw(TK) = 9.31e-9 * exp(1000 / TK - 1000 / 298.15) * TK * 0.89 / (298.15 * viscos) -# Dw(I) = Dw(TK) * exp(-0.46 * DH_A * |z_H+| * I^0.5 / (1 + DH_B * I^0.5 * 1e-10 / (1 + I^0.75))) + -gamma 9 0 + -viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.57 # for viscosity parameters see ref. 4 + -dw 9.31e-9 838 6.96 -2.285 0.206 24.01 0 +# Dw(25 C) dw_T a a2 visc a3 a_v_dif +# Dw(TK) = 9.31e-9 * exp(838 / TK - 838 / 298.15) * viscos_0_25 / viscos_0_tc +# a = DH ion size, a2 = exponent, visc = viscosity exponent, a3(H+) = 24.01 = new dw calculation from A.D. 2024, a_v_dif = exponent in (viscos_0_tc / viscos)^a_v_dif for tracer diffusion. + +# For SC, Dw(TK) *= (viscos_0_tc / viscos)^visc (visc = 0.206 for H+) +# a3 > 5 or a3 = 0 or not defined ? ka = DH_B * a * (1 + (vm - v0))^a2 * mu^0.5, in Onsager-Falkenhagen eqn. (For H+, the reference ion, vm = v0 = 0, a *= (1 + mu)^a2.) +# a3 = -10 ? ka = DH_B * a * mu^a2 (Define a3 = -10, not used in this database.) (a3 = 24.01 for H+, a flag.) +# -3 < a3 < 4 ? ka = DH_B * a2 * mu^0.5 / (1 + mu^a3), Appelo, 2017: Dw(I) = Dw(TK) * exp(-a * DH_A * z * sqrt_mu / (1 + ka)) (Sr+2 in this database) + +# If a_v_dif <> 0, Dw(TK) *= (viscos_0_tc / viscos)^a_v_dif in TRANSPORT. e- = e- H2O = H2O + -dw 2.299e-9 -254 # H2O + 0.01e- = H2O-0.01; -log_k -9 # aids convergence -Ca+2 = Ca+2 - -gamma 5.0 0.1650 - -dw 0.793e-9 97 3.4 24.6 - -Vm -0.3456 -7.252 6.149 -2.479 1.239 5 1.60 -57.1 -6.12e-3 1 # ref. 1 -Mg+2 = Mg+2 - -gamma 5.5 0.20 - -dw 0.705e-9 111 2.4 13.7 - -Vm -1.410 -8.6 11.13 -2.39 1.332 5.5 1.29 -32.9 -5.86e-3 1 # ref. 1 +Li+ = Li+ + -gamma 6 0 # The apparent volume parameters are defined in ref. 1 & 2 + -Vm -0.419 -0.069 13.16 -2.78 0.416 0 0.296 -12.4 -2.74e-3 1.26 # ref. 2 and Ellis, 1968, J. Chem. Soc. A, 1138 + -viscosity 0.162 -2.45e-2 3.73e-2 9.7e-4 8.1e-4 2.087 # < 10 M LiCl + -dw 1.03e-9 -14 4.03 0.8341 1.679 Na+ = Na+ - -gamma 4.0 0.075 - -gamma 4.08 0.082 # halite solubility - -dw 1.33e-9 122 1.52 3.70 - -Vm 2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.566 # ref. 1 -# for calculating densities (rho) when I > 3... - # -Vm 2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.45 + -gamma 4 0.075 + -gamma 4.08 0.082 # halite solubility + -Vm 2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.566 + # -Vm 2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.45 # for densities (rho) when I > 3. + -viscosity 0.1387 -8.66e-2 1.25e-2 1.45e-2 7.5e-3 1.062 + -dw 1.33e-9 75 3.627 0 0.7037 K+ = K+ - -gamma 3.5 0.015 - -dw 1.96e-9 395 2.5 21 - -Vm 3.322 -1.473 6.534 -2.712 9.06e-2 3.5 0 29.7 0 1 # ref. 1 + -gamma 3.5 0.015 + -Vm 3.322 -1.473 6.534 -2.712 9.06e-2 3.5 0 29.7 0 1 + -viscosity 0.116 -0.191 1.52e-2 1.4e-2 2.59e-2 0.9028 + -dw 1.96e-9 254 3.484 0 0.1964 +Mg+2 = Mg+2 + -gamma 5.5 0.2 + -Vm -1.41 -8.6 11.13 -2.39 1.332 5.5 1.29 -32.9 -5.86e-3 1 + -viscosity 0.426 0 0 1.66e-3 4.32e-3 2.461 + -dw 0.705e-9 -4 5.569 0 1.047 +Ca+2 = Ca+2 + -gamma 5 0.165 + -Vm -0.3456 -7.252 6.149 -2.479 1.239 5 1.6 -57.1 -6.12e-3 1 + -viscosity 0.359 -0.158 4.2e-2 1.5e-3 8.04e-3 2.3 # ref. 4, CaCl2 < 6 M + -dw 0.792e-9 34 5.411 0 1.046 +Sr+2 = Sr+2 + -gamma 5.26 0.121 + -Vm -1.57e-2 -10.15 10.18 -2.36 0.86 5.26 0.859 -27 -4.1e-3 1.97 + -viscosity 0.472 -0.252 5.51e-3 3.67e-3 0 1.876 + -dw 0.794e-9 149 0.805 1.961 1e-9 0.7876 +Ba+2 = Ba+2 + -gamma 5 0 + -gamma 4 0.153 # Barite solubility + -Vm 2.063 -10.06 1.9534 -2.36 0.4218 5 1.58 -12.03 -8.35e-3 1 + -viscosity 0.338 -0.227 1.39e-2 3.07e-2 0 0.768 + -dw 0.848e-9 174 10.53 0 3 Fe+2 = Fe+2 - -gamma 6.0 0 - -dw 0.719e-9 - -Vm -0.3255 -9.687 1.536 -2.379 0.3033 6 -4.21e-2 39.7 0 1 # ref. 1 + -gamma 6 0 + -Vm -0.3255 -9.687 1.536 -2.379 0.3033 6 -4.21e-2 39.7 0 1 + -dw 0.719e-9 Mn+2 = Mn+2 - -gamma 6.0 0 - -dw 0.688e-9 - -Vm -1.10 -8.03 4.08 -2.45 1.4 6 8.07 0 -1.51e-2 0.118 # ref. 2 + -gamma 6 0 + -Vm -1.1 -8.03 4.08 -2.45 1.4 6 8.07 0 -1.51e-2 0.118 + -dw 0.688e-9 Al+3 = Al+3 - -gamma 9.0 0 - -dw 0.559e-9 - -Vm -2.28 -17.1 10.9 -2.07 2.87 9 0 0 5.5e-3 1 # ref. 2 and Barta and Hepler, 1986, Can. J.C. 64, 353. -Ba+2 = Ba+2 - -gamma 5.0 0 - -gamma 4.0 0.153 # Barite solubility - -dw 0.848e-9 46 - -Vm 2.063 -10.06 1.9534 -2.36 0.4218 5 1.58 -12.03 -8.35e-3 1 # ref. 1 -Sr+2 = Sr+2 - -gamma 5.260 0.121 - -dw 0.794e-9 161 - -Vm -1.57e-2 -10.15 10.18 -2.36 0.860 5.26 0.859 -27.0 -4.1e-3 1.97 # ref. 1 + -gamma 9 0 + -Vm -2.28 -17.1 10.9 -2.07 2.87 9 0 0 5.5e-3 1 # ref. 2 and Barta and Hepler, 1986, Can. J.C. 64, 353 + -dw 0.559e-9 H4SiO4 = H4SiO4 - -dw 1.10e-9 - -Vm 10.5 1.7 20 -2.7 0.1291 # supcrt + 2*H2O in a1 + -Vm 10.5 1.7 20 -2.7 0.1291 # supcrt 2*H2O in a1 + -dw 1.1e-9 Cl- = Cl- - -gamma 3.5 0.015 - -gamma 3.63 0.017 # cf. pitzer.dat - -dw 2.03e-9 194 1.6 6.9 - -Vm 4.465 4.801 4.325 -2.847 1.748 0 -0.331 20.16 0 1 # ref. 1 + -gamma 3.5 0.015 + -gamma 3.63 0.017 # cf. pitzer.dat + -Vm 4.465 4.801 4.325 -2.847 1.748 0 -0.331 20.16 0 1 + -viscosity 0 0 0 0 0 0 1 # the reference solute + -dw 2.033e-9 216 3.16 0.2071 0.7432 CO3-2 = CO3-2 - -gamma 5.4 0 - -dw 0.955e-9 0 1.12 2.84 - -Vm 5.95 0 0 -5.67 6.85 0 1.37 106 -0.0343 1 # ref. 1 + -gamma 5.4 0 + -Vm 6.09 -2.78 -0.405 -5.3 5.02 0 0.169 101 -1.38e-2 0.9316 + -viscosity -0.5 0.6521 5.44e-3 1.06e-3 -2.18e-2 1.208 -2.147 + -dw 0.955e-9 -103 2.246 7.13e-2 0.3686 SO4-2 = SO4-2 - -gamma 5.0 -0.04 - -dw 1.07e-9 34 2.08 13.4 - -Vm 8.0 2.3 -46.04 6.245 3.82 0 0 0 0 1 # ref. 1 + -gamma 5 -0.04 + -Vm -7.77 43.17 176 -51.45 3.794 0 42.99 -541 -0.145 0.45 # with analytical_expressions for log K of NaSO4-, KSO4- & MgSO4, 0 - 200 oC + -viscosity -0.3 0.501 2.57e-3 0.195 3.14e-2 2.015 0.605 + -dw 1.07e-9 -114 17 6.02e-2 4.94e-2 NO3- = NO3- - -gamma 3.0 0 - -dw 1.9e-9 184 1.85 3.85 - -Vm 6.32 6.78 0 -3.06 0.346 0 0.93 0 -0.012 1 # ref. 1 + -gamma 3 0 + -Vm 6.32 6.78 0 -3.06 0.346 0 0.93 0 -0.012 1 + -viscosity 8.37e-2 -0.458 1.54e-2 0.34 1.79e-2 5.02e-2 0.7381 + -dw 1.9e-9 104 1.11 AmmH+ = AmmH+ - -gamma 2.5 0 - -dw 1.98e-9 312 0.95 4.53 - -Vm 4.837 2.345 5.522 -2.88 1.096 3 -1.456 75.0 7.17e-3 1 # ref. 1 + -gamma 2.5 0 + -Vm 5.35 2.345 3.72 -2.88 1.55 2.5 -4.54 217 2.344e-2 0.569 + -viscosity 9.9e-2 -0.159 1.36e-2 6.51e-3 3.21e-2 0.972 + -dw 1.98e-9 203 1.47 2.644 6.81e-2 H3BO3 = H3BO3 - -dw 1.1e-9 - -Vm 7.0643 8.8547 3.5844 -3.1451 -.2000 # supcrt + -Vm 7.0643 8.8547 3.5844 -3.1451 -0.2 # supcrt + -dw 1.1e-9 PO4-3 = PO4-3 - -gamma 4.0 0 - -dw 0.612e-9 - -Vm 1.24 -9.07 9.31 -2.4 5.61 0 0 0 -1.41e-2 1 # ref. 2 + -gamma 4 0 + -Vm 1.24 -9.07 9.31 -2.4 5.61 0 0 0 -1.41e-2 1 + -dw 0.612e-9 F- = F- - -gamma 3.5 0 - -dw 1.46e-9 - -Vm 0.928 1.36 6.27 -2.84 1.84 0 0 -0.318 0 1 # ref. 2 -Li+ = Li+ - -gamma 6.0 0 - -dw 1.03e-9 80 - -Vm -0.419 -0.069 13.16 -2.78 0.416 0 0.296 -12.4 -2.74e-3 1.26 # ref. 2 and Ellis, 1968, J. Chem. Soc. A, 1138 + -gamma 3.5 0 + -Vm 0.928 1.36 6.27 -2.84 1.84 0 0 -0.318 0 1 + -viscosity 0 2.85e-2 1.35e-2 6.11e-2 4.38e-3 1.384 0.586 + -dw 1.46e-9 -36 4.352 Br- = Br- - -gamma 3.0 0 - -dw 2.01e-9 258 - -Vm 6.72 2.85 4.21 -3.14 1.38 0 -9.56e-2 7.08 -1.56e-3 1 # ref. 2 + -gamma 3 0 + -Vm 6.72 2.85 4.21 -3.14 1.38 0 -9.56e-2 7.08 -1.56e-3 1 + -viscosity -6.98e-2 -0.141 1.78e-2 0.159 7.76e-3 6.25e-2 0.859 + -dw 2.09e-9 208 3.5 0 0.5737 Zn+2 = Zn+2 - -gamma 5.0 0 - -dw 0.715e-9 - -Vm -1.96 -10.4 14.3 -2.35 1.46 5 -1.43 24 1.67e-2 1.11 # ref. 2 + -gamma 5 0 + -Vm -1.96 -10.4 14.3 -2.35 1.46 5 -1.43 24 1.67e-2 1.11 + -dw 0.715e-9 Cd+2 = Cd+2 - -dw 0.717e-9 - -Vm 1.63 -10.7 1.01 -2.34 1.47 5 0 0 0 1 # ref. 2 + -Vm 1.63 -10.7 1.01 -2.34 1.47 5 0 0 0 1 + -dw 0.717e-9 Pb+2 = Pb+2 - -dw 0.945e-9 - -Vm -.0051 -7.7939 8.8134 -2.4568 1.0788 4.5 # supcrt + -Vm -0.0051 -7.7939 8.8134 -2.4568 1.0788 4.5 # supcrt + -dw 0.945e-9 Cu+2 = Cu+2 - -gamma 6.0 0 - -dw 0.733e-9 - -Vm -1.13 -10.5 7.29 -2.35 1.61 6 9.78e-2 0 3.42e-3 1 # ref. 2 + -gamma 6 0 + -Vm -1.13 -10.5 7.29 -2.35 1.61 6 9.78e-2 0 3.42e-3 1 + -dw 0.733e-9 # redox-uncoupled gases Hdg = Hdg # H2 - -dw 5.13e-9 - -Vm 6.52 0.78 0.12 # supcrt + -Vm 6.52 0.78 0.12 # supcrt + -dw 5.13e-9 Oxg = Oxg # O2 - -dw 2.35e-9 - -Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt + -Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt + -dw 2.35e-9 Mtg = Mtg # CH4 - -dw 1.85e-9 - -Vm 9.01 -1.11 0 -1.85 -1.50 # ref. 1 + Hnedkovsky et al., 1996, JCT 28, 125 + -Vm 9.01 -1.11 0 -1.85 -1.5 # Hnedkovsky et al., 1996, JCT 28, 125 + -dw 1.85e-9 Ntg = Ntg # N2 - -dw 1.96e-9 - -Vm 7 # Pray et al., 1952, IEC 44. 1146 + -Vm 7 # Pray et al., 1952, IEC 44 1146 + -dw 1.96e-9 -90 # Cadogan et al. 2014, JCED 59, 519 H2Sg = H2Sg # H2S - -dw 2.1e-9 - -Vm 1.39 28.3 0 -7.22 -0.59 # ref. 1 + Hnedkovsky et al., 1996, JCT 28, 125 + -Vm 1.39 28.3 0 -7.22 -0.59 # Hnedkovsky et al., 1996, JCT 28, 125 + -dw 2.1e-9 # aqueous species H2O = OH- + H+ - -analytic 293.29227 0.1360833 -10576.913 -123.73158 0 -6.996455e-5 - -gamma 3.5 0 - -dw 5.27e-9 548 0.52 1e-10 - -Vm -9.66 28.5 80.0 -22.9 1.89 0 1.09 0 0 1 # ref. 1 + -analytic 293.29227 0.1360833 -10576.913 -123.73158 0 -6.996455e-5 + -gamma 3.5 0 + -Vm -9.66 28.5 80 -22.9 1.89 0 1.09 0 0 1 + -viscosity -2.26e-2 0.106 2.184e-2 -3.2e-3 0 0.4082 -1.634 # < 5 M Li,Na,KOH + -dw 5.27e-9 478 0.8695 2 H2O = O2 + 4 H+ + 4 e- - -log_k -86.08 + -log_k -86.08 -delta_h 134.79 kcal - -dw 2.35e-9 - -Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt + -Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt + -dw 2.35e-9 2 H+ + 2 e- = H2 - -log_k -3.15 + -log_k -3.15 -delta_h -1.759 kcal - -dw 5.13e-9 - -Vm 6.52 0.78 0.12 # supcrt + -Vm 6.52 0.78 0.12 # supcrt + -dw 5.13e-9 +H+ + Cl- = HCl + -log_k -0.5 + -analytical_expression 0.334 -2.684e-3 1.015 # from Pitzer.dat, up to 15 M HCl, 0 - 50°C + -gamma 0 0.4256 + -viscosity 0.921 -0.765 8.32e-3 8.25e-4 2.53e-3 4.223 CO3-2 + H+ = HCO3- - -log_k 10.329 - -delta_h -3.561 kcal - -analytic 107.8871 0.03252849 -5151.79 -38.92561 563713.9 - -gamma 5.4 0 - -dw 1.18e-9 0 1.43 1e-10 - -Vm 8.472 0 -11.5 0 1.56 0 0 146 3.16e-3 1 # ref. 1 + -log_k 10.329; -delta_h -3.561 kcal + -analytic 107.8871 0.03252849 -5151.79 -38.92561 563713.9 + -gamma 5.4 0 + -Vm 10.26 -2.92 -12.58 -0.241 2.23 0 -5.49 320 2.83e-2 1.144 + -viscosity -0.6 1.366 -1.216e-2 0e-2 3.139e-2 -1.135 1.253 + -dw 1.18e-9 -190 11.386 CO3-2 + 2 H+ = CO2 + H2O - -log_k 16.681 - -delta_h -5.738 kcal - -analytic 464.1965 0.09344813 -26986.16 -165.75951 2248628.9 - -dw 1.92e-9 - -Vm 7.29 0.92 2.07 -1.23 -1.60 # ref. 1 + McBride et al. 2015, JCED 60, 171 -2CO2 = (CO2)2 # activity correction for CO2 solubility at high P, T + -log_k 16.681 + -delta_h -5.738 kcal + -analytic 464.1965 0.09344813 -26986.16 -165.75951 2248628.9 + -Vm 7.29 0.92 2.07 -1.23 -1.6 # McBride et al. 2015, JCED 60, 171 + -gamma 0 0.066 # Rumpf et al. 1994, J. Sol. Chem. 23, 431 + -viscosity 6.8e-3 9.03e-2 3.27e-2 0 0 0 0.18 + -dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519 +2 CO2 = (CO2)2 # activity correction for CO2 solubility at high P, T -log_k -1.8 - -analytical_expression 8.68 -0.0103 -2190 - -Vm 14.58 1.84 4.14 -2.46 -3.20 + -analytical_expression 8.68 -0.0103 -2190 + -Vm 14.58 1.84 4.14 -2.46 -3.2 + -viscosity 1.36e-2 0.1806 3.27e-2 0 0 0 0.36 + -dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519 CO3-2 + 10 H+ + 8 e- = CH4 + 3 H2O - -log_k 41.071 + -log_k 41.071 -delta_h -61.039 kcal - -dw 1.85e-9 - -Vm 9.01 -1.11 0 -1.85 -1.50 # ref. 1 + Hnedkovsky et al., 1996, JCT 28, 125 + -Vm 9.01 -1.11 0 -1.85 -1.5 # Hnedkovsky et al., 1996, JCT 28, 125 + -dw 1.85e-9 SO4-2 + H+ = HSO4- - -log_k 1.988 - -delta_h 3.85 kcal - -analytic -56.889 0.006473 2307.9 19.8858 - -dw 1.33e-9 - -Vm 8.2 9.2590 2.1108 -3.1618 1.1748 0 -0.3 15 0 1 # ref. 1 + -log_k 1.988; -delta_h 3.85 kcal + -analytic -56.889 0.006473 2307.9 19.8858 + -Vm 8.2 9.259 2.1108 -3.1618 1.1748 0 -0.3 15 0 1 + -viscosity 0.5 -6.97e-2 6.07e-2 1e-5 -0.1333 0.4865 0.7987 + -dw 1.22e-9 1000 15 2.861 HS- = S-2 + H+ - -log_k -12.918 - -delta_h 12.1 kcal - -gamma 5.0 0 - -dw 0.731e-9 + -log_k -12.918 + -delta_h 12.1 kcal + -gamma 5 0 + -dw 0.731e-9 SO4-2 + 9 H+ + 8 e- = HS- + 4 H2O - -log_k 33.65 - -delta_h -60.140 kcal - -gamma 3.5 0 - -dw 1.73e-9 - -Vm 5.0119 4.9799 3.4765 -2.9849 1.4410 # supcrt + -log_k 33.65 + -delta_h -60.14 kcal + -gamma 3.5 0 + -Vm 5.0119 4.9799 3.4765 -2.9849 1.441 # supcrt + -dw 1.73e-9 HS- + H+ = H2S - -log_k 6.994 - -delta_h -5.30 kcal - -analytical -11.17 0.02386 3279.0 - -dw 2.1e-9 - -Vm 1.39 28.3 0 -7.22 -0.59 # ref. 1 + Hnedkovsky et al., 1996, JCT 28, 125 -2H2S = (H2S)2 # activity correction for H2S solubility at high P, T - -analytical_expression 10.227 -0.01384 -2200 - -Vm 36.41 -71.95 0 0 2.58 + -log_k 6.994; -delta_h -5.3 kcal + -analytical -11.17 0.02386 3279 + -Vm 1.39 28.3 0 -7.22 -0.59 # Hnedkovsky et al., 1996, JCT 28, 125 + -dw 2.1e-9 +2 H2S = (H2S)2 # activity correction for H2S solubility at high P, T + -analytical_expression 10.227 -0.01384 -2200 + -Vm 36.41 -71.95 0 0 2.58 + -dw 2.1e-9 H2Sg = HSg- + H+ - -log_k -6.994 - -delta_h 5.30 kcal - -analytical_expression 11.17 -0.02386 -3279.0 - -gamma 3.5 0 - -dw 1.73e-9 - -Vm 5.0119 4.9799 3.4765 -2.9849 1.4410 # supcrt -2H2Sg = (H2Sg)2 # activity correction for H2S solubility at high P, T - -analytical_expression 10.227 -0.01384 -2200 - -Vm 36.41 -71.95 0 0 2.58 + -log_k -6.994; -delta_h 5.3 kcal + -analytical_expression 11.17 -0.02386 -3279 + -gamma 3.5 0 + -Vm 5.0119 4.9799 3.4765 -2.9849 1.441 # supcrt + -dw 1.73e-9 +2 H2Sg = (H2Sg)2 # activity correction for H2S solubility at high P, T + -analytical_expression 10.227 -0.01384 -2200 + -Vm 36.41 -71.95 0 0 2.58 + -dw 2.1e-9 NO3- + 2 H+ + 2 e- = NO2- + H2O - -log_k 28.570 - -delta_h -43.760 kcal - -gamma 3.0 0 - -dw 1.91e-9 - -Vm 5.5864 5.8590 3.4472 -3.0212 1.1847 # supcrt + -log_k 28.57 + -delta_h -43.76 kcal + -gamma 3 0 + -Vm 5.5864 5.859 3.4472 -3.0212 1.1847 # supcrt + -dw 1.91e-9 2 NO3- + 12 H+ + 10 e- = N2 + 6 H2O - -log_k 207.08 - -delta_h -312.130 kcal - -dw 1.96e-9 - -Vm 7 # Pray et al., 1952, IEC 44. 1146 -AmmH+ = Amm + H+ - -log_k -9.252 - -delta_h 12.48 kcal - -analytic 0.6322 -0.001225 -2835.76 - -dw 2.28e-9 - -Vm 6.69 2.8 3.58 -2.88 1.43 # ref. 2 + -log_k 207.08 + -delta_h -312.13 kcal + -Vm 7 # Pray et al., 1952, IEC 44 1146 + -dw 1.96e-9 -90 # Cadogan et al. 2014, JCED 59, 519 #NO3- + 10 H+ + 8 e- = AmmH+ + 3 H2O -# -log_k 119.077 -# -delta_h -187.055 kcal -# -gamma 2.5 0 -# -Vm 4.837 2.345 5.522 -2.88 1.096 3 -1.456 75.0 7.17e-3 1 # ref. 1 - +# -log_k 119.077 +# -delta_h -187.055 kcal +# -gamma 2.5 0 +# -Vm 5.35 2.345 3.72 -2.88 1.55 2.5 -4.54 217 2.344e-2 0.569 +# -viscosity 9.9e-2 -0.159 1.36e-2 6.51e-3 3.21e-2 0.972 +# -dw 1.98e-9 203 1.47 2.644 6.81e-2 +AmmH+ = Amm + H+ +#NH4+ = NH3 + H+ + -log_k -9.252 + -delta_h 12.48 kcal + -analytic 0.6322 -0.001225 -2835.76 + -Vm 6.69 2.8 3.58 -2.88 1.43 + -viscosity 0.08 0 0 7.82e-3 -0.134 -0.986 + -dw 2.28e-9 AmmH+ + SO4-2 = AmmHSO4- - -log_k 1.11 - -Vm 14.0 0 -35.2 0 0 0 12.3 0 -0.141 1 # ref. 2 +#NH4+ + SO4-2 = NH4SO4- + -gamma 2.08 -0.0416 + -log_k 1.211; -delta_h 8.56 kJ + -Vm -8.78 0 -36.09 0 -8.60 0 87.62 0 -0.3123 0.1172 + -viscosity 0 0.116 -8.6e-3 0.159 -9.3e-3 0.522 0.627 + -dw 0.9e-9 100 2.1 2 0 H3BO3 = H2BO3- + H+ - -log_k -9.24 - -delta_h 3.224 kcal + -log_k -9.24 + -delta_h 3.224 kcal H3BO3 + F- = BF(OH)3- - -log_k -0.4 - -delta_h 1.850 kcal + -log_k -0.4 + -delta_h 1.85 kcal H3BO3 + 2 F- + H+ = BF2(OH)2- + H2O - -log_k 7.63 - -delta_h 1.618 kcal + -log_k 7.63 + -delta_h 1.618 kcal H3BO3 + 2 H+ + 3 F- = BF3OH- + 2 H2O - -log_k 13.67 - -delta_h -1.614 kcal + -log_k 13.67 + -delta_h -1.614 kcal H3BO3 + 3 H+ + 4 F- = BF4- + 3 H2O - -log_k 20.28 - -delta_h -1.846 kcal + -log_k 20.28 + -delta_h -1.846 kcal PO4-3 + H+ = HPO4-2 - -log_k 12.346 - -delta_h -3.530 kcal - -gamma 5.0 0 - -dw 0.69e-9 - -Vm 3.52 1.09 8.39 -2.82 3.34 0 0 0 0 1 # ref. 2 + -log_k 12.346 + -delta_h -3.53 kcal + -gamma 5 0 + -dw 0.69e-9 + -Vm 3.52 1.09 8.39 -2.82 3.34 0 0 0 0 1 PO4-3 + 2 H+ = H2PO4- - -log_k 19.553 - -delta_h -4.520 kcal - -gamma 5.4 0 - -dw 0.846e-9 - -Vm 5.58 8.06 12.2 -3.11 1.3 0 0 0 1.62e-2 1 # ref. 2 -PO4-3 + 3H+ = H3PO4 - log_k 21.721 # log_k and delta_h from minteq.v4.dat, NIST46.3 - delta_h -10.1 kJ - -Vm 7.47 12.4 6.29 -3.29 0 # ref. 2 + -log_k 19.553 + -delta_h -4.52 kcal + -gamma 5.4 0 + -Vm 5.58 8.06 12.2 -3.11 1.3 0 0 0 1.62e-2 1 + -dw 0.846e-9 +PO4-3 + 3 H+ = H3PO4 + log_k 21.721 # log_k and delta_h from minteq.v4.dat, NIST46.3 + delta_h -10.1 kJ + -Vm 7.47 12.4 6.29 -3.29 0 H+ + F- = HF - -log_k 3.18 - -delta_h 3.18 kcal - -analytic -2.033 0.012645 429.01 - -Vm 3.4753 .7042 5.4732 -2.8081 -.0007 # supcrt + -log_k 3.18 + -delta_h 3.18 kcal + -analytic -2.033 0.012645 429.01 + -Vm 3.4753 .7042 5.4732 -2.8081 -.0007 # supcrt H+ + 2 F- = HF2- - -log_k 3.76 - -delta_h 4.550 kcal - -Vm 5.2263 4.9797 3.7928 -2.9849 1.2934 # supcrt + -log_k 3.76 + -delta_h 4.55 kcal + -Vm 5.2263 4.9797 3.7928 -2.9849 1.2934 # supcrt Ca+2 + H2O = CaOH+ + H+ - -log_k -12.78 + -log_k -12.78 Ca+2 + CO3-2 = CaCO3 - -log_k 3.224 - -delta_h 3.545 kcal - -analytic -1228.732 -0.299440 35512.75 485.818 - -dw 4.46e-10 # complexes: calc'd with the Pikal formula - -Vm -.2430 -8.3748 9.0417 -2.4328 -.0300 # supcrt + -log_k 3.224; -delta_h 3.545 kcal + -analytic -1228.732 -0.29944 35512.75 485.818 + -dw 4.46e-10 # complexes: calc'd with the Pikal formula + -Vm -.243 -8.3748 9.0417 -2.4328 -.03 # supcrt Ca+2 + CO3-2 + H+ = CaHCO3+ - -log_k 11.435 - -delta_h -0.871 kcal - -analytic 1317.0071 0.34546894 -39916.84 -517.70761 563713.9 - -gamma 6.0 0 + -log_k 10.91; -delta_h 4.38 kcal + -analytic -6.009 3.377e-2 2044 + -gamma 6 0 + -Vm 30.19 .01 5.75 -2.78 .308 5.4 -dw 5.06e-10 - -Vm 3.1911 .0104 5.7459 -2.7794 .3084 5.4 # supcrt Ca+2 + SO4-2 = CaSO4 - -log_k 2.25 - -delta_h 1.325 kcal + -log_k 2.25 + -delta_h 1.325 kcal -dw 4.71e-10 - -Vm 2.7910 -.9666 6.1300 -2.7390 -.0010 # supcrt + -Vm 2.791 -.9666 6.13 -2.739 -.001 # supcrt Ca+2 + HSO4- = CaHSO4+ - -log_k 1.08 + -log_k 1.08 Ca+2 + PO4-3 = CaPO4- - -log_k 6.459 - -delta_h 3.10 kcal - -gamma 5.4 0.0 + -log_k 6.459 + -delta_h 3.1 kcal + -gamma 5.4 0 Ca+2 + HPO4-2 = CaHPO4 - -log_k 2.739 + -log_k 2.739 -delta_h 3.3 kcal Ca+2 + H2PO4- = CaH2PO4+ - -log_k 1.408 + -log_k 1.408 -delta_h 3.4 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 # Ca+2 + F- = CaF+ # -log_k 0.94 # -delta_h 4.120 kcal - # -gamma 5.5 0.0 - # -Vm .9846 -5.3773 7.8635 -2.5567 .6911 5.5 # supcrt + # -gamma 5.5 0.0 + # -Vm .9846 -5.3773 7.8635 -2.5567 .6911 5.5 # supcrt Mg+2 + H2O = MgOH+ + H+ - -log_k -11.44 + -log_k -11.44 -delta_h 15.952 kcal - -gamma 6.5 0 + -gamma 6.5 0 Mg+2 + CO3-2 = MgCO3 - -log_k 2.98 - -delta_h 2.713 kcal - -analytic 0.9910 0.00667 + -log_k 2.98 + -delta_h 2.713 kcal + -analytic 0.991 0.00667 + -Vm -0.5837 -9.2067 9.3687 -2.3984 -.03 # supcrt -dw 4.21e-10 - -Vm -.5837 -9.2067 9.3687 -2.3984 -.0300 # supcrt Mg+2 + H+ + CO3-2 = MgHCO3+ - -log_k 11.399 - -delta_h -2.771 kcal - -analytic 48.6721 0.03252849 -2614.335 -18.00263 563713.9 - -gamma 4.0 0 + -log_k 11.399 + -delta_h -2.771 kcal + -analytic 48.6721 0.03252849 -2614.335 -18.00263 563713.9 + -gamma 4 0 + -Vm 2.7171 -1.1469 6.2008 -2.7316 .5985 4 # supcrt -dw 4.78e-10 - -Vm 2.7171 -1.1469 6.2008 -2.7316 .5985 4 # supcrt Mg+2 + SO4-2 = MgSO4 - -log_k 2.37 - -delta_h 4.550 kcal + -gamma 0 0.2 + -log_k 2.42; -delta_h 19 kJ + -analytical_expression 0 9.64e-3 -136 # mean salt gamma from Pitzer.dat and epsomite/hexahydrite/kieserite solubilities, 0 - 200 oC + -Vm 8.65 -10.21 29.58 -18.6 1.061 + -viscosity 0.318 -5.4e-4 -3.42e-2 0.708 3.7e-3 0.696 -dw 4.45e-10 - -Vm 2.4 -0.97 6.1 -2.74 # est'd +SO4-2 + MgSO4 = Mg(SO4)2-2 + -gamma 7 0.047 + -log_k 0.52; -delta_h -13.6 kJ + -analytical_expression 0 -1.51e-3 0 0 8.604e4 # mean salt gamma from Pitzer.dat and epsomite/hexahydrite/kieserite solubilities, 0 - 200 oC + -Vm -8.14 -62.2 -15.96 3.29 -3.01 0 150 0 0.153 3.79e-2 + -viscosity -0.169 5e-4 -5.69e-2 0.11 2.03e-3 2.027 -1e-3 + -dw 0.845e-9 -200 8 0 0.965 Mg+2 + PO4-3 = MgPO4- - -log_k 6.589 - -delta_h 3.10 kcal - -gamma 5.4 0 + -log_k 6.589 + -delta_h 3.1 kcal + -gamma 5.4 0 Mg+2 + HPO4-2 = MgHPO4 - -log_k 2.87 + -log_k 2.87 -delta_h 3.3 kcal Mg+2 + H2PO4- = MgH2PO4+ - -log_k 1.513 + -log_k 1.513 -delta_h 3.4 kcal - -gamma 5.4 0 + -gamma 5.4 0 Mg+2 + F- = MgF+ - -log_k 1.82 - -delta_h 3.20 kcal - -gamma 4.5 0 - -Vm .6494 -6.1958 8.1852 -2.5229 .9706 4.5 # supcrt -Na+ + OH- = NaOH - -log_k -10 # remove this complex -Na+ + CO3-2 = NaCO3- - -log_k 1.27 - -delta_h 8.91 kcal - -dw 1.2e-9 0 1e-10 1e-10 - -Vm 3.89 -8.23e-4 20 -9.44 3.02 9.05e-3 3.07 0 0.0233 1 # ref. 1 + -log_k 1.82 + -delta_h 3.2 kcal + -gamma 4.5 0 + -Vm .6494 -6.1958 8.1852 -2.5229 .9706 4.5 # supcrt +# Na+ + OH- = NaOH + # -log_k -14.7 # remove this complex Na+ + HCO3- = NaHCO3 - -log_k -0.25 - -delta_h -1 kcal + -log_k -0.06; -delta_h 21 kJ + -gamma 0 0.2 + -Vm 7.95 0 0 0 0.609 + -viscosity -4e-2 -2.717 1.67e-5 -dw 6.73e-10 - -Vm 0.431 # ref. 1 Na+ + SO4-2 = NaSO4- - -log_k 0.7 - -delta_h 1.120 kcal - -gamma 5.4 0 - -dw 1.33e-9 0 0.57 1e-10 - -Vm 1e-5 16.4 -0.0678 -1.05 4.14 0 6.86 0 0.0242 0.53 # ref. 1 + -gamma 5.5 0 + -log_k 0.6; -delta_h -14.4 kJ + -analytical_expression 255.903 0.10057 0 -1.11138e2 -8.5983e5 # mirabilite/thenardite solubilities, 0 - 200 oC + -Vm 1.99 -10.78 21.88 -12.7 1.601 5 32.38 501 1.565e-2 0.2325 + -viscosity 0.2 -5.93e-2 -4e-4 8.46e-3 1.78e-3 2.308 -0.208 + -dw 1.13e-9 -23 8.5 0.392 0.521 Na+ + HPO4-2 = NaHPO4- - -log_k 0.29 - -gamma 5.4 0 - -Vm 5.2 8.1 13 -3 0.9 0 0 1.62e-2 1 # ref. 2 + -log_k 0.29 + -gamma 5.4 0 + -Vm 5.2 8.1 13 -3 0.9 0 0 1.62e-2 1 Na+ + F- = NaF - -log_k -0.24 - -Vm 2.7483 -1.0708 6.1709 -2.7347 -.030 # supcrt + -log_k -0.24 + -Vm 2.7483 -1.0708 6.1709 -2.7347 -.03 # supcrt +K+ + HCO3- = KHCO3 + -log_k -0.35; -delta_h 12 kJ + -gamma 0 9.4e-3 + -Vm 9.48 0 0 0 -0.542 + -viscosity 0.7 -1.289 9e-2 K+ + SO4-2 = KSO4- - -log_k 0.85 - -delta_h 2.250 kcal - -analytical 3.106 0.0 -673.6 - -gamma 5.4 0 - -dw 1.5e-9 0 1e-10 1e10 - -Vm 6.8 7.06 3.0 -2.07 1.1 0 0 0 0 1 # ref. 1 + -gamma 5.4 0.19 + -log_k 0.6; -delta_h -10.4 kJ + -analytical_expression -3.0246 9.986e-3 0 0 1.093e5 # arcanite solubility, 0 - 200 oC + -Vm 13.48 -18.03 61.74 -19.6 2.046 5.4 -17.32 0 0.1522 1.919 + -viscosity -1 1.06 1e-4 -0.464 3.78e-2 0.539 -0.69 + -dw 0.9e-9 63 8.48 0 1.8 K+ + HPO4-2 = KHPO4- - -log_k 0.29 - -gamma 5.4 0 - -Vm 5.4 8.1 19 -3.1 0.7 0 0 0 1.62e-2 1 # ref. 2 + -log_k 0.29 + -gamma 5.4 0 + -Vm 5.4 8.1 19 -3.1 0.7 0 0 0 1.62e-2 1 Fe+2 + H2O = FeOH+ + H+ - -log_k -9.5 - -delta_h 13.20 kcal - -gamma 5.0 0 -Fe+2 + 3H2O = Fe(OH)3- + 3H+ - -log_k -31.0 + -log_k -9.5 + -delta_h 13.2 kcal + -gamma 5 0 +Fe+2 + 3 H2O = Fe(OH)3- + 3 H+ + -log_k -31 -delta_h 30.3 kcal - -gamma 5.0 0 + -gamma 5 0 Fe+2 + Cl- = FeCl+ - -log_k 0.14 + -log_k 0.14 Fe+2 + CO3-2 = FeCO3 - -log_k 4.38 + -log_k 4.38 Fe+2 + HCO3- = FeHCO3+ - -log_k 2.0 + -log_k 2 Fe+2 + SO4-2 = FeSO4 - -log_k 2.25 - -delta_h 3.230 kcal - -Vm -13 0 123 # ref. 2 + -log_k 2.25 + -delta_h 3.23 kcal + -Vm -13 0 123 Fe+2 + HSO4- = FeHSO4+ - -log_k 1.08 -Fe+2 + 2HS- = Fe(HS)2 - -log_k 8.95 -Fe+2 + 3HS- = Fe(HS)3- - -log_k 10.987 + -log_k 1.08 +Fe+2 + 2 HS- = Fe(HS)2 + -log_k 8.95 +Fe+2 + 3 HS- = Fe(HS)3- + -log_k 10.987 Fe+2 + HPO4-2 = FeHPO4 - -log_k 3.6 + -log_k 3.6 Fe+2 + H2PO4- = FeH2PO4+ - -log_k 2.7 - -gamma 5.4 0 + -log_k 2.7 + -gamma 5.4 0 Fe+2 + F- = FeF+ - -log_k 1.0 + -log_k 1 Fe+2 = Fe+3 + e- - -log_k -13.02 - -delta_h 9.680 kcal - -gamma 9.0 0 + -log_k -13.02 + -delta_h 9.68 kcal + -gamma 9 0 Fe+3 + H2O = FeOH+2 + H+ - -log_k -2.19 - -delta_h 10.4 kcal - -gamma 5.0 0 + -log_k -2.19 + -delta_h 10.4 kcal + -gamma 5 0 Fe+3 + 2 H2O = Fe(OH)2+ + 2 H+ - -log_k -5.67 - -delta_h 17.1 kcal - -gamma 5.4 0 + -log_k -5.67 + -delta_h 17.1 kcal + -gamma 5.4 0 Fe+3 + 3 H2O = Fe(OH)3 + 3 H+ - -log_k -12.56 - -delta_h 24.8 kcal + -log_k -12.56 + -delta_h 24.8 kcal Fe+3 + 4 H2O = Fe(OH)4- + 4 H+ - -log_k -21.6 - -delta_h 31.9 kcal - -gamma 5.4 0 -Fe+2 + 2H2O = Fe(OH)2 + 2H+ - -log_k -20.57 - -delta_h 28.565 kcal + -log_k -21.6 + -delta_h 31.9 kcal + -gamma 5.4 0 +Fe+2 + 2 H2O = Fe(OH)2 + 2 H+ + -log_k -20.57 + -delta_h 28.565 kcal 2 Fe+3 + 2 H2O = Fe2(OH)2+4 + 2 H+ - -log_k -2.95 - -delta_h 13.5 kcal + -log_k -2.95 + -delta_h 13.5 kcal 3 Fe+3 + 4 H2O = Fe3(OH)4+5 + 4 H+ - -log_k -6.3 - -delta_h 14.3 kcal + -log_k -6.3 + -delta_h 14.3 kcal Fe+3 + Cl- = FeCl+2 - -log_k 1.48 - -delta_h 5.6 kcal - -gamma 5.0 0 + -log_k 1.48 + -delta_h 5.6 kcal + -gamma 5 0 Fe+3 + 2 Cl- = FeCl2+ - -log_k 2.13 - -gamma 5.0 0 + -log_k 2.13 + -gamma 5 0 Fe+3 + 3 Cl- = FeCl3 - -log_k 1.13 + -log_k 1.13 Fe+3 + SO4-2 = FeSO4+ - -log_k 4.04 - -delta_h 3.91 kcal - -gamma 5.0 0 + -log_k 4.04 + -delta_h 3.91 kcal + -gamma 5 0 Fe+3 + HSO4- = FeHSO4+2 - -log_k 2.48 + -log_k 2.48 Fe+3 + 2 SO4-2 = Fe(SO4)2- - -log_k 5.38 - -delta_h 4.60 kcal + -log_k 5.38 + -delta_h 4.6 kcal Fe+3 + HPO4-2 = FeHPO4+ - -log_k 5.43 - -delta_h 5.76 kcal - -gamma 5.0 0 + -log_k 5.43 + -delta_h 5.76 kcal + -gamma 5 0 Fe+3 + H2PO4- = FeH2PO4+2 - -log_k 5.43 - -gamma 5.4 0 + -log_k 5.43 + -gamma 5.4 0 Fe+3 + F- = FeF+2 - -log_k 6.2 - -delta_h 2.7 kcal - -gamma 5.0 0 + -log_k 6.2 + -delta_h 2.7 kcal + -gamma 5 0 Fe+3 + 2 F- = FeF2+ - -log_k 10.8 - -delta_h 4.8 kcal - -gamma 5.0 0 + -log_k 10.8 + -delta_h 4.8 kcal + -gamma 5 0 Fe+3 + 3 F- = FeF3 - -log_k 14.0 - -delta_h 5.4 kcal + -log_k 14 + -delta_h 5.4 kcal Mn+2 + H2O = MnOH+ + H+ - -log_k -10.59 - -delta_h 14.40 kcal - -gamma 5.0 0 -Mn+2 + 3H2O = Mn(OH)3- + 3H+ - -log_k -34.8 - -gamma 5.0 0 + -log_k -10.59 + -delta_h 14.4 kcal + -gamma 5 0 +Mn+2 + 3 H2O = Mn(OH)3- + 3 H+ + -log_k -34.8 + -gamma 5 0 Mn+2 + Cl- = MnCl+ - -log_k 0.61 - -gamma 5.0 0 - -Vm 7.25 -1.08 -25.8 -2.73 3.99 5 0 0 0 1 # ref. 2 + -log_k 0.61 + -gamma 5 0 + -Vm 7.25 -1.08 -25.8 -2.73 3.99 5 0 0 0 1 Mn+2 + 2 Cl- = MnCl2 - -log_k 0.25 - -Vm 1e-5 0 144 # ref. 2 + -log_k 0.25 + -Vm 1e-5 0 144 Mn+2 + 3 Cl- = MnCl3- - -log_k -0.31 - -gamma 5.0 0 - -Vm 11.8 0 0 0 2.4 0 0 0 3.6e-2 1 # ref. 2 + -log_k -0.31 + -gamma 5 0 + -Vm 11.8 0 0 0 2.4 0 0 0 3.6e-2 1 Mn+2 + CO3-2 = MnCO3 - -log_k 4.9 + -log_k 4.9 Mn+2 + HCO3- = MnHCO3+ - -log_k 1.95 - -gamma 5.0 0 + -log_k 1.95 + -gamma 5 0 Mn+2 + SO4-2 = MnSO4 - -log_k 2.25 - -delta_h 3.370 kcal - -Vm -1.31 -1.83 62.3 -2.7 # ref. 2 + -log_k 2.25 + -delta_h 3.37 kcal + -Vm -1.31 -1.83 62.3 -2.7 Mn+2 + 2 NO3- = Mn(NO3)2 - -log_k 0.6 - -delta_h -0.396 kcal - -Vm 6.16 0 29.4 0 0.9 # ref. 2 + -log_k 0.6 + -delta_h -0.396 kcal + -Vm 6.16 0 29.4 0 0.9 Mn+2 + F- = MnF+ - -log_k 0.84 - -gamma 5.0 0 + -log_k 0.84 + -gamma 5 0 Mn+2 = Mn+3 + e- - -log_k -25.51 - -delta_h 25.80 kcal - -gamma 9.0 0 + -log_k -25.51 + -delta_h 25.8 kcal + -gamma 9 0 Al+3 + H2O = AlOH+2 + H+ - -log_k -5.0 - -delta_h 11.49 kcal - -analytic -38.253 0.0 -656.27 14.327 - -gamma 5.4 0 - -Vm -1.46 -11.4 10.2 -2.31 1.67 5.4 0 0 0 1 # ref. 2 and Barta and Hepler, 1986, Can. J. Chem. 64, 353. + -log_k -5 + -delta_h 11.49 kcal + -analytic -38.253 0 -656.27 14.327 + -gamma 5.4 0 + -Vm -1.46 -11.4 10.2 -2.31 1.67 5.4 0 0 0 1 # Barta and Hepler, 1986, Can. J. Chem. 64, 353 Al+3 + 2 H2O = Al(OH)2+ + 2 H+ - -log_k -10.1 - -delta_h 26.90 kcal - -gamma 5.4 0 - -analytic 88.50 0.0 -9391.6 -27.121 + -log_k -10.1 + -delta_h 26.9 kcal + -gamma 5.4 0 + -analytic 88.5 0 -9391.6 -27.121 Al+3 + 3 H2O = Al(OH)3 + 3 H+ - -log_k -16.9 - -delta_h 39.89 kcal - -analytic 226.374 0.0 -18247.8 -73.597 + -log_k -16.9 + -delta_h 39.89 kcal + -analytic 226.374 0 -18247.8 -73.597 Al+3 + 4 H2O = Al(OH)4- + 4 H+ - -log_k -22.7 - -delta_h 42.30 kcal - -analytic 51.578 0.0 -11168.9 -14.865 - -gamma 4.5 0 + -log_k -22.7 + -delta_h 42.3 kcal + -analytic 51.578 0 -11168.9 -14.865 + -gamma 4.5 0 -dw 1.04e-9 # Mackin & Aller, 1983, GCA 47, 959 Al+3 + SO4-2 = AlSO4+ - -log_k 3.5 + -log_k 3.5 -delta_h 2.29 kcal - -gamma 4.5 0 -Al+3 + 2SO4-2 = Al(SO4)2- - -log_k 5.0 + -gamma 4.5 0 +Al+3 + 2 SO4-2 = Al(SO4)2- + -log_k 5 -delta_h 3.11 kcal - -gamma 4.5 0 + -gamma 4.5 0 Al+3 + HSO4- = AlHSO4+2 - -log_k 0.46 + -log_k 0.46 Al+3 + F- = AlF+2 - -log_k 7.0 - -delta_h 1.060 kcal - -gamma 5.4 0 + -log_k 7 + -delta_h 1.06 kcal + -gamma 5.4 0 Al+3 + 2 F- = AlF2+ - -log_k 12.7 - -delta_h 1.980 kcal - -gamma 5.4 0 + -log_k 12.7 + -delta_h 1.98 kcal + -gamma 5.4 0 Al+3 + 3 F- = AlF3 - -log_k 16.8 - -delta_h 2.160 kcal + -log_k 16.8 + -delta_h 2.16 kcal Al+3 + 4 F- = AlF4- - -log_k 19.4 - -delta_h 2.20 kcal - -gamma 4.5 0 + -log_k 19.4 + -delta_h 2.2 kcal + -gamma 4.5 0 # Al+3 + 5 F- = AlF5-2 - # log_k 20.6 - # delta_h 1.840 kcal + # log_k 20.6 + # delta_h 1.840 kcal # Al+3 + 6 F- = AlF6-3 - # log_k 20.6 + # log_k 20.6 # delta_h -1.670 kcal H4SiO4 = H3SiO4- + H+ - -log_k -9.83 - -delta_h 6.12 kcal - -analytic -302.3724 -0.050698 15669.69 108.18466 -1119669.0 - -gamma 4 0 - -Vm 7.94 1.0881 5.3224 -2.8240 1.4767 # supcrt + H2O in a1 + -log_k -9.83 + -delta_h 6.12 kcal + -analytic -302.3724 -0.050698 15669.69 108.18466 -1119669 + -gamma 4 0 + -Vm 7.94 1.0881 5.3224 -2.824 1.4767 # supcrt + H2O in a1 H4SiO4 = H2SiO4-2 + 2 H+ - -log_k -23.0 - -delta_h 17.6 kcal - -analytic -294.0184 -0.072650 11204.49 108.18466 -1119669.0 - -gamma 5.4 0 + -log_k -23 + -delta_h 17.6 kcal + -analytic -294.0184 -0.07265 11204.49 108.18466 -1119669 + -gamma 5.4 0 H4SiO4 + 4 H+ + 6 F- = SiF6-2 + 4 H2O - -log_k 30.18 - -delta_h -16.260 kcal - -gamma 5.0 0 - -Vm 8.5311 13.0492 .6211 -3.3185 2.7716 # supcrt + -log_k 30.18 + -delta_h -16.26 kcal + -gamma 5 0 + -Vm 8.5311 13.0492 .6211 -3.3185 2.7716 # supcrt Ba+2 + H2O = BaOH+ + H+ - -log_k -13.47 - -gamma 5.0 0 + -log_k -13.47 + -gamma 5 0 Ba+2 + CO3-2 = BaCO3 - -log_k 2.71 - -delta_h 3.55 kcal - -analytic 0.113 0.008721 - -Vm .2907 -7.0717 8.5295 -2.4867 -.0300 # supcrt + -log_k 2.71 + -delta_h 3.55 kcal + -analytic 0.113 0.008721 + -Vm .2907 -7.0717 8.5295 -2.4867 -.03 # supcrt Ba+2 + HCO3- = BaHCO3+ - -log_k 0.982 + -log_k 0.982 -delta_h 5.56 kcal - -analytic -3.0938 0.013669 + -analytic -3.0938 0.013669 Ba+2 + SO4-2 = BaSO4 - -log_k 2.7 + -log_k 2.7 Sr+2 + H2O = SrOH+ + H+ - -log_k -13.29 - -gamma 5.0 0 + -log_k -13.29 + -gamma 5 0 Sr+2 + CO3-2 + H+ = SrHCO3+ - -log_k 11.509 - -delta_h 2.489 kcal - -analytic 104.6391 0.04739549 -5151.79 -38.92561 563713.9 - -gamma 5.4 0 + -log_k 11.509 + -delta_h 2.489 kcal + -analytic 104.6391 0.04739549 -5151.79 -38.92561 563713.9 + -gamma 5.4 0 Sr+2 + CO3-2 = SrCO3 - -log_k 2.81 - -delta_h 5.22 kcal - -analytic -1.019 0.012826 - -Vm -.1787 -8.2177 8.9799 -2.4393 -.0300 # supcrt + -log_k 2.81 + -delta_h 5.22 kcal + -analytic -1.019 0.012826 + -Vm -.1787 -8.2177 8.9799 -2.4393 -.03 # supcrt Sr+2 + SO4-2 = SrSO4 - -log_k 2.29 - -delta_h 2.08 kcal - -Vm 6.7910 -.9666 6.1300 -2.7390 -.0010 # celestite solubility + -log_k 2.29 + -delta_h 2.08 kcal + -Vm 6.791 -.9666 6.13 -2.739 -.001 # celestite solubility Li+ + SO4-2 = LiSO4- - -log_k 0.64 - -gamma 5.0 0 + -log_k 0.64 + -gamma 5 0 Cu+2 + e- = Cu+ - -log_k 2.72 - -delta_h 1.65 kcal - -gamma 2.5 0 -Cu+ + 2Cl- = CuCl2- - -log_k 5.50 + -log_k 2.72 + -delta_h 1.65 kcal + -gamma 2.5 0 +Cu+ + 2 Cl- = CuCl2- + -log_k 5.5 -delta_h -0.42 kcal - -gamma 4.0 0 -Cu+ + 3Cl- = CuCl3-2 - -log_k 5.70 + -gamma 4 0 +Cu+ + 3 Cl- = CuCl3-2 + -log_k 5.7 -delta_h 0.26 kcal - -gamma 5.0 0.0 -Cu+2 + CO3-2 = CuCO3 - -log_k 6.73 -Cu+2 + 2CO3-2 = Cu(CO3)2-2 - -log_k 9.83 + -gamma 5 0 +Cu+2 + CO3-2 = CuCO3 + -log_k 6.73 +Cu+2 + 2 CO3-2 = Cu(CO3)2-2 + -log_k 9.83 Cu+2 + HCO3- = CuHCO3+ - -log_k 2.7 -Cu+2 + Cl- = CuCl+ - -log_k 0.43 + -log_k 2.7 +Cu+2 + Cl- = CuCl+ + -log_k 0.43 -delta_h 8.65 kcal - -gamma 4.0 0 - -Vm -4.19 0 30.4 0 0 4 0 0 1.94e-2 1 # ref. 2 -Cu+2 + 2Cl- = CuCl2 - -log_k 0.16 + -gamma 4 0 + -Vm -4.19 0 30.4 0 0 4 0 0 1.94e-2 1 +Cu+2 + 2 Cl- = CuCl2 + -log_k 0.16 -delta_h 10.56 kcal - -Vm 26.8 0 -136 # ref. 2 -Cu+2 + 3Cl- = CuCl3- - -log_k -2.29 + -Vm 26.8 0 -136 +Cu+2 + 3 Cl- = CuCl3- + -log_k -2.29 -delta_h 13.69 kcal - -gamma 4.0 0 -Cu+2 + 4Cl- = CuCl4-2 - -log_k -4.59 + -gamma 4 0 +Cu+2 + 4 Cl- = CuCl4-2 + -log_k -4.59 -delta_h 17.78 kcal - -gamma 5.0 0 -Cu+2 + F- = CuF+ - -log_k 1.26 + -gamma 5 0 +Cu+2 + F- = CuF+ + -log_k 1.26 -delta_h 1.62 kcal Cu+2 + H2O = CuOH+ + H+ - -log_k -8.0 - -gamma 4.0 0 + -log_k -8 + -gamma 4 0 Cu+2 + 2 H2O = Cu(OH)2 + 2 H+ - -log_k -13.68 + -log_k -13.68 Cu+2 + 3 H2O = Cu(OH)3- + 3 H+ - -log_k -26.9 + -log_k -26.9 Cu+2 + 4 H2O = Cu(OH)4-2 + 4 H+ - -log_k -39.6 -2Cu+2 + 2H2O = Cu2(OH)2+2 + 2H+ - -log_k -10.359 + -log_k -39.6 +2 Cu+2 + 2 H2O = Cu2(OH)2+2 + 2 H+ + -log_k -10.359 -delta_h 17.539 kcal - -analytical 2.497 0.0 -3833.0 + -analytical 2.497 0 -3833 Cu+2 + SO4-2 = CuSO4 - -log_k 2.31 - -delta_h 1.220 kcal - -Vm 5.21 0 -14.6 # ref. 2 -Cu+2 + 3HS- = Cu(HS)3- - -log_k 25.9 + -log_k 2.31 + -delta_h 1.22 kcal + -Vm 5.21 0 -14.6 +Cu+2 + 3 HS- = Cu(HS)3- + -log_k 25.9 Zn+2 + H2O = ZnOH+ + H+ - -log_k -8.96 + -log_k -8.96 -delta_h 13.4 kcal Zn+2 + 2 H2O = Zn(OH)2 + 2 H+ - -log_k -16.9 + -log_k -16.9 Zn+2 + 3 H2O = Zn(OH)3- + 3 H+ - -log_k -28.4 + -log_k -28.4 Zn+2 + 4 H2O = Zn(OH)4-2 + 4 H+ - -log_k -41.2 + -log_k -41.2 Zn+2 + Cl- = ZnCl+ - -log_k 0.43 + -log_k 0.43 -delta_h 7.79 kcal - -gamma 4.0 0 - -Vm 14.8 -3.91 -105.7 -2.62 0.203 4 0 0 -5.05e-2 1 # ref. 2 + -gamma 4 0 + -Vm 14.8 -3.91 -105.7 -2.62 0.203 4 0 0 -5.05e-2 1 Zn+2 + 2 Cl- = ZnCl2 - -log_k 0.45 + -log_k 0.45 -delta_h 8.5 kcal - -Vm -10.1 4.57 241 -2.97 -1e-3 # ref. 2 -Zn+2 + 3Cl- = ZnCl3- - -log_k 0.5 + -Vm -10.1 4.57 241 -2.97 -1e-3 +Zn+2 + 3 Cl- = ZnCl3- + -log_k 0.5 -delta_h 9.56 kcal - -gamma 4.0 0 - -Vm 0.772 15.5 -0.349 -3.42 1.25 0 -7.77 0 0 1 # ref. 2 -Zn+2 + 4Cl- = ZnCl4-2 - -log_k 0.2 + -gamma 4 0 + -Vm 0.772 15.5 -0.349 -3.42 1.25 0 -7.77 0 0 1 +Zn+2 + 4 Cl- = ZnCl4-2 + -log_k 0.2 -delta_h 10.96 kcal - -gamma 5.0 0 - -Vm 28.42 28 -5.26 -3.94 2.67 0 0 0 4.62e-2 1 # ref. 2 -Zn+2 + H2O + Cl- = ZnOHCl + H+ - -log_k -7.48 -Zn+2 + 2HS- = Zn(HS)2 - -log_k 14.94 -Zn+2 + 3HS- = Zn(HS)3- - -log_k 16.1 + -gamma 5 0 + -Vm 28.42 28 -5.26 -3.94 2.67 0 0 0 4.62e-2 1 +Zn+2 + H2O + Cl- = ZnOHCl + H+ + -log_k -7.48 +Zn+2 + 2 HS- = Zn(HS)2 + -log_k 14.94 +Zn+2 + 3 HS- = Zn(HS)3- + -log_k 16.1 Zn+2 + CO3-2 = ZnCO3 - -log_k 5.3 -Zn+2 + 2CO3-2 = Zn(CO3)2-2 - -log_k 9.63 + -log_k 5.3 +Zn+2 + 2 CO3-2 = Zn(CO3)2-2 + -log_k 9.63 Zn+2 + HCO3- = ZnHCO3+ - -log_k 2.1 + -log_k 2.1 Zn+2 + SO4-2 = ZnSO4 - -log_k 2.37 + -log_k 2.37 -delta_h 1.36 kcal - -Vm 2.51 0 18.8 # ref. 2 -Zn+2 + 2SO4-2 = Zn(SO4)2-2 - -log_k 3.28 - -Vm 10.9 0 -98.7 0 0 0 24 0 -0.236 1 # ref. 2 -Zn+2 + Br- = ZnBr+ - -log_k -0.58 -Zn+2 + 2Br- = ZnBr2 - -log_k -0.98 -Zn+2 + F- = ZnF+ - -log_k 1.15 + -Vm 2.51 0 18.8 +Zn+2 + 2 SO4-2 = Zn(SO4)2-2 + -log_k 3.28 + -Vm 10.9 0 -98.7 0 0 0 24 0 -0.236 1 +Zn+2 + Br- = ZnBr+ + -log_k -0.58 +Zn+2 + 2 Br- = ZnBr2 + -log_k -0.98 +Zn+2 + F- = ZnF+ + -log_k 1.15 -delta_h 2.22 kcal Cd+2 + H2O = CdOH+ + H+ - -log_k -10.08 + -log_k -10.08 -delta_h 13.1 kcal Cd+2 + 2 H2O = Cd(OH)2 + 2 H+ - -log_k -20.35 + -log_k -20.35 Cd+2 + 3 H2O = Cd(OH)3- + 3 H+ - -log_k -33.3 + -log_k -33.3 Cd+2 + 4 H2O = Cd(OH)4-2 + 4 H+ - -log_k -47.35 -2Cd+2 + H2O = Cd2OH+3 + H+ - -log_k -9.39 + -log_k -47.35 +2 Cd+2 + H2O = Cd2OH+3 + H+ + -log_k -9.39 -delta_h 10.9 kcal -Cd+2 + H2O + Cl- = CdOHCl + H+ - -log_k -7.404 +Cd+2 + H2O + Cl- = CdOHCl + H+ + -log_k -7.404 -delta_h 4.355 kcal Cd+2 + NO3- = CdNO3+ - -log_k 0.4 + -log_k 0.4 -delta_h -5.2 kcal - -Vm 5.95 0 -1.11 0 2.67 7 0 0 1.53e-2 1 # ref. 2 + -Vm 5.95 0 -1.11 0 2.67 7 0 0 1.53e-2 1 Cd+2 + Cl- = CdCl+ - -log_k 1.98 + -log_k 1.98 -delta_h 0.59 kcal - -Vm 5.69 0 -30.2 0 0 6 0 0 0.112 1 # ref. 2 + -Vm 5.69 0 -30.2 0 0 6 0 0 0.112 1 Cd+2 + 2 Cl- = CdCl2 - -log_k 2.6 + -log_k 2.6 -delta_h 1.24 kcal - -Vm 5.53 # ref. 2 + -Vm 5.53 Cd+2 + 3 Cl- = CdCl3- - -log_k 2.4 + -log_k 2.4 -delta_h 3.9 kcal - -Vm 4.6 0 83.9 0 0 0 0 0 0 1 # ref. 2 + -Vm 4.6 0 83.9 0 0 0 0 0 0 1 Cd+2 + CO3-2 = CdCO3 - -log_k 2.9 -Cd+2 + 2CO3-2 = Cd(CO3)2-2 - -log_k 6.4 + -log_k 2.9 +Cd+2 + 2 CO3-2 = Cd(CO3)2-2 + -log_k 6.4 Cd+2 + HCO3- = CdHCO3+ - -log_k 1.5 + -log_k 1.5 Cd+2 + SO4-2 = CdSO4 - -log_k 2.46 + -log_k 2.46 -delta_h 1.08 kcal - -Vm 10.4 0 57.9 # ref. 2 -Cd+2 + 2SO4-2 = Cd(SO4)2-2 - -log_k 3.5 - -Vm -6.29 0 -93 0 9.5 7 0 0 0 1 # ref. 2 -Cd+2 + Br- = CdBr+ - -log_k 2.17 + -Vm 10.4 0 57.9 +Cd+2 + 2 SO4-2 = Cd(SO4)2-2 + -log_k 3.5 + -Vm -6.29 0 -93 0 9.5 7 0 0 0 1 +Cd+2 + Br- = CdBr+ + -log_k 2.17 -delta_h -0.81 kcal -Cd+2 + 2Br- = CdBr2 - -log_k 2.9 -Cd+2 + F- = CdF+ - -log_k 1.1 -Cd+2 + 2F- = CdF2 - -log_k 1.5 -Cd+2 + HS- = CdHS+ - -log_k 10.17 -Cd+2 + 2HS- = Cd(HS)2 - -log_k 16.53 -Cd+2 + 3HS- = Cd(HS)3- - -log_k 18.71 -Cd+2 + 4HS- = Cd(HS)4-2 - -log_k 20.9 +Cd+2 + 2 Br- = CdBr2 + -log_k 2.9 +Cd+2 + F- = CdF+ + -log_k 1.1 +Cd+2 + 2 F- = CdF2 + -log_k 1.5 +Cd+2 + HS- = CdHS+ + -log_k 10.17 +Cd+2 + 2 HS- = Cd(HS)2 + -log_k 16.53 +Cd+2 + 3 HS- = Cd(HS)3- + -log_k 18.71 +Cd+2 + 4 HS- = Cd(HS)4-2 + -log_k 20.9 Pb+2 + H2O = PbOH+ + H+ - -log_k -7.71 + -log_k -7.71 Pb+2 + 2 H2O = Pb(OH)2 + 2 H+ - -log_k -17.12 + -log_k -17.12 Pb+2 + 3 H2O = Pb(OH)3- + 3 H+ - -log_k -28.06 + -log_k -28.06 Pb+2 + 4 H2O = Pb(OH)4-2 + 4 H+ - -log_k -39.7 + -log_k -39.7 2 Pb+2 + H2O = Pb2OH+3 + H+ - -log_k -6.36 + -log_k -6.36 Pb+2 + Cl- = PbCl+ - -log_k 1.6 + -log_k 1.6 -delta_h 4.38 kcal - -Vm 2.8934 -.7165 6.0316 -2.7494 .1281 6 # supcrt + -Vm 2.8934 -.7165 6.0316 -2.7494 .1281 6 # supcrt Pb+2 + 2 Cl- = PbCl2 - -log_k 1.8 + -log_k 1.8 -delta_h 1.08 kcal - -Vm 6.5402 8.1879 2.5318 -3.1175 -.0300 # supcrt + -Vm 6.5402 8.1879 2.5318 -3.1175 -.03 # supcrt Pb+2 + 3 Cl- = PbCl3- - -log_k 1.7 + -log_k 1.7 -delta_h 2.17 kcal - -Vm 11.0396 19.1743 -1.7863 -3.5717 .7356 # supcrt + -Vm 11.0396 19.1743 -1.7863 -3.5717 .7356 # supcrt Pb+2 + 4 Cl- = PbCl4-2 - -log_k 1.38 + -log_k 1.38 -delta_h 3.53 kcal - -Vm 16.4150 32.2997 -6.9452 -4.1143 2.3118 # supcrt + -Vm 16.415 32.2997 -6.9452 -4.1143 2.3118 # supcrt Pb+2 + CO3-2 = PbCO3 - -log_k 7.24 + -log_k 7.24 Pb+2 + 2 CO3-2 = Pb(CO3)2-2 - -log_k 10.64 + -log_k 10.64 Pb+2 + HCO3- = PbHCO3+ - -log_k 2.9 + -log_k 2.9 Pb+2 + SO4-2 = PbSO4 - -log_k 2.75 + -log_k 2.75 Pb+2 + 2 SO4-2 = Pb(SO4)2-2 - -log_k 3.47 -Pb+2 + 2HS- = Pb(HS)2 - -log_k 15.27 -Pb+2 + 3HS- = Pb(HS)3- - -log_k 16.57 -3Pb+2 + 4H2O = Pb3(OH)4+2 + 4H+ - -log_k -23.88 - -delta_h 26.5 kcal + -log_k 3.47 +Pb+2 + 2 HS- = Pb(HS)2 + -log_k 15.27 +Pb+2 + 3 HS- = Pb(HS)3- + -log_k 16.57 +3 Pb+2 + 4 H2O = Pb3(OH)4+2 + 4 H+ + -log_k -23.88 + -delta_h 26.5 kcal Pb+2 + NO3- = PbNO3+ - -log_k 1.17 -Pb+2 + Br- = PbBr+ - -log_k 1.77 + -log_k 1.17 +Pb+2 + Br- = PbBr+ + -log_k 1.77 -delta_h 2.88 kcal -Pb+2 + 2Br- = PbBr2 - -log_k 1.44 -Pb+2 + F- = PbF+ - -log_k 1.25 -Pb+2 + 2F- = PbF2 - -log_k 2.56 -Pb+2 + 3F- = PbF3- - -log_k 3.42 -Pb+2 + 4F- = PbF4-2 - -log_k 3.1 +Pb+2 + 2 Br- = PbBr2 + -log_k 1.44 +Pb+2 + F- = PbF+ + -log_k 1.25 +Pb+2 + 2 F- = PbF2 + -log_k 2.56 +Pb+2 + 3 F- = PbF3- + -log_k 3.42 +Pb+2 + 4 F- = PbF4-2 + -log_k 3.1 PHASES Calcite CaCO3 = CO3-2 + Ca+2 - -log_k -8.48 + -log_k -8.48 -delta_h -2.297 kcal - -analytic 17.118 -0.046528 -3496 # 0 - 250°C, Ellis, 1959, Plummer and Busenberg, 1982 + -analytic 17.118 -0.046528 -3496 # 0 - 250°C, Ellis, 1959, Plummer and Busenberg, 1982 -Vm 36.9 cm3/mol # MW (100.09 g/mol) / rho (2.71 g/cm3) Aragonite CaCO3 = CO3-2 + Ca+2 - -log_k -8.336 + -log_k -8.336 -delta_h -2.589 kcal - -analytic -171.9773 -0.077993 2903.293 71.595 + -analytic -171.9773 -0.077993 2903.293 71.595 -Vm 34.04 Dolomite CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2 - -log_k -17.09 - -delta_h -9.436 kcal - -analytic 31.283 -0.0898 -6438 # 25°C: Hemingway and Robie, 1994; 50–175°C: Bénézeth et al., 2018, GCA 224, 262-275. + -log_k -17.09 + -delta_h -9.436 kcal + -analytic 31.283 -0.0898 -6438 # 25°C: Hemingway and Robie, 1994; 50–175°C: Bénézeth et al., 2018, GCA 224, 262-275 -Vm 64.5 Siderite FeCO3 = Fe+2 + CO3-2 - -log_k -10.89 - -delta_h -2.480 kcal + -log_k -10.89 + -delta_h -2.48 kcal -Vm 29.2 Rhodochrosite MnCO3 = Mn+2 + CO3-2 - -log_k -11.13 - -delta_h -1.430 kcal + -log_k -11.13 + -delta_h -1.43 kcal -Vm 31.1 Strontianite SrCO3 = Sr+2 + CO3-2 - -log_k -9.271 - -delta_h -0.400 kcal - -analytic 155.0305 0.0 -7239.594 -56.58638 + -log_k -9.271 + -delta_h -0.4 kcal + -analytic 155.0305 0 -7239.594 -56.58638 -Vm 39.69 Witherite BaCO3 = Ba+2 + CO3-2 - -log_k -8.562 - -delta_h 0.703 kcal - -analytic 607.642 0.121098 -20011.25 -236.4948 + -log_k -8.562 + -delta_h 0.703 kcal + -analytic 607.642 0.121098 -20011.25 -236.4948 -Vm 46 Gypsum CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O - -log_k -4.58 + -log_k -4.58 -delta_h -0.109 kcal - -analytic 68.2401 0.0 -3221.51 -25.0627 - -analytical_expression 93.7 5.99E-03 -4e3 -35.019 # better fits the appendix data of Appelo, 2015, AG 55, 62 - -Vm 73.9 # 172.18 / 2.33 (Vm H2O = 13.9 cm3/mol) + -analytic 68.2401 0 -3221.51 -25.0627 + -analytical_expression 93.7 5.99E-3 -4e3 -35.019 # better fits the appendix data of Appelo, 2015, AG 55, 62 + -Vm 73.9 # 172.18 / 2.33 (Vm H2O = 13.9 cm3/mol) Anhydrite CaSO4 = Ca+2 + SO4-2 - -log_k -4.36 - -delta_h -1.710 kcal - -analytic 84.90 0 -3135.12 -31.79 # 50 - 160oC, 1 - 1e3 atm, anhydrite dissolution, Blount and Dickson, 1973, Am. Mineral. 58, 323. + -log_k -4.36 + -delta_h -1.71 kcal + -analytic 84.9 0 -3135.12 -31.79 # 50 - 160oC, 1 - 1e3 atm, anhydrite dissolution, Blount and Dickson, 1973, Am. Mineral. 58, 323 -Vm 46.1 # 136.14 / 2.95 Celestite SrSO4 = Sr+2 + SO4-2 - -log_k -6.63 + -log_k -6.63 -delta_h -4.037 kcal -# -analytic -14805.9622 -2.4660924 756968.533 5436.3588 -40553604.0 - -analytic -7.14 6.11e-3 75 0 0 -1.79e-5 # Howell et al., 1992, JCED 37, 464. +# -analytic -14805.9622 -2.4660924 756968.533 5436.3588 -40553604.0 + -analytic -7.14 6.11e-3 75 0 0 -1.79e-5 # Howell et al., 1992, JCED 37, 464 -Vm 46.4 Barite BaSO4 = Ba+2 + SO4-2 - -log_k -9.97 - -delta_h 6.35 kcal - -analytical_expression -282.43 -8.972e-2 5822 113.08 # Blount 1977; Templeton, 1960 + -log_k -9.97 + -delta_h 6.35 kcal + -analytical_expression -282.43 -8.972e-2 5822 113.08 # Blount 1977; Templeton, 1960 + -Vm 52.9 +Arcanite + K2SO4 = SO4-2 + 2 K+ + log_k -1.776; -delta_h 5 kcal + -analytical_expression 674.142 0.30423 -18037 -280.236 0 -1.44055e-4 # ref. 3 + # Note, the Linke and Seidell data may give subsaturation in other xpt's, SI = -0.06 + -Vm 65.5 +Mirabilite + Na2SO4:10H2O = SO4-2 + 2 Na+ + 10 H2O + -analytical_expression -301.9326 -0.16232 0 141.078 # ref. 3 + Vm 216 +Thenardite + Na2SO4 = 2 Na+ + SO4-2 + -analytical_expression 57.185 8.6024e-2 0 -30.8341 0 -7.6905e-5 # ref. 3 -Vm 52.9 +Epsomite + MgSO4:7H2O = Mg+2 + SO4-2 + 7 H2O + log_k -1.74; -delta_h 10.57 kJ + -analytical_expression -3.59 6.21e-3 + Vm 147 +Hexahydrite + MgSO4:6H2O = Mg+2 + SO4-2 + 6 H2O + log_k -1.57; -delta_h 2.35 kJ + -analytical_expression -1.978 1.38e-3 + Vm 132 +Kieserite + MgSO4:H2O = Mg+2 + SO4-2 + H2O + log_k -1.16; -delta_h 9.22 kJ + -analytical_expression 29.485 -5.07e-2 0 -2.662 -7.95e5 + Vm 53.8 Hydroxyapatite Ca5(PO4)3OH + 4 H+ = H2O + 3 HPO4-2 + 5 Ca+2 - -log_k -3.421 + -log_k -3.421 -delta_h -36.155 kcal -Vm 128.9 Fluorite CaF2 = Ca+2 + 2 F- - -log_k -10.6 - -delta_h 4.69 kcal - -analytic 66.348 0.0 -4298.2 -25.271 + -log_k -10.6 + -delta_h 4.69 kcal + -analytic 66.348 0 -4298.2 -25.271 -Vm 15.7 SiO2(a) SiO2 + 2 H2O = H4SiO4 - -log_k -2.71 - -delta_h 3.340 kcal - -analytic -0.26 0.0 -731.0 + -log_k -2.71 + -delta_h 3.34 kcal + -analytic -0.26 0 -731 Chalcedony SiO2 + 2 H2O = H4SiO4 - -log_k -3.55 - -delta_h 4.720 kcal - -analytic -0.09 0.0 -1032.0 + -log_k -3.55 + -delta_h 4.72 kcal + -analytic -0.09 0 -1032 -Vm 23.1 Quartz SiO2 + 2 H2O = H4SiO4 - -log_k -3.98 - -delta_h 5.990 kcal - -analytic 0.41 0.0 -1309.0 + -log_k -3.98 + -delta_h 5.99 kcal + -analytic 0.41 0 -1309 -Vm 22.67 Gibbsite Al(OH)3 + 3 H+ = Al+3 + 3 H2O - -log_k 8.11 - -delta_h -22.800 kcal + -log_k 8.11 + -delta_h -22.8 kcal -Vm 32.22 Al(OH)3(a) Al(OH)3 + 3 H+ = Al+3 + 3 H2O - -log_k 10.8 - -delta_h -26.500 kcal + -log_k 10.8 + -delta_h -26.5 kcal Kaolinite Al2Si2O5(OH)4 + 6 H+ = H2O + 2 H4SiO4 + 2 Al+3 - -log_k 7.435 - -delta_h -35.300 kcal + -log_k 7.435 + -delta_h -35.3 kcal -Vm 99.35 Albite NaAlSi3O8 + 8 H2O = Na+ + Al(OH)4- + 3 H4SiO4 - -log_k -18.002 + -log_k -18.002 -delta_h 25.896 kcal -Vm 101.31 Anorthite CaAl2Si2O8 + 8 H2O = Ca+2 + 2 Al(OH)4- + 2 H4SiO4 - -log_k -19.714 - -delta_h 11.580 kcal + -log_k -19.714 + -delta_h 11.58 kcal -Vm 105.05 K-feldspar KAlSi3O8 + 8 H2O = K+ + Al(OH)4- + 3 H4SiO4 - -log_k -20.573 - -delta_h 30.820 kcal + -log_k -20.573 + -delta_h 30.82 kcal -Vm 108.15 K-mica KAl3Si3O10(OH)2 + 10 H+ = K+ + 3 Al+3 + 3 H4SiO4 - -log_k 12.703 + -log_k 12.703 -delta_h -59.376 kcal Chlorite(14A) - Mg5Al2Si3O10(OH)8 + 16H+ = 5Mg+2 + 2Al+3 + 3H4SiO4 + 6H2O - -log_k 68.38 + Mg5Al2Si3O10(OH)8 + 16 H+ = 5 Mg+2 + 2 Al+3 + 3 H4SiO4 + 6 H2O + -log_k 68.38 -delta_h -151.494 kcal Ca-Montmorillonite - Ca0.165Al2.33Si3.67O10(OH)2 + 12 H2O = 0.165Ca+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H+ - -log_k -45.027 - -delta_h 58.373 kcal + Ca0.165Al2.33Si3.67O10(OH)2 + 12 H2O = 0.165 Ca+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H+ + -log_k -45.027 + -delta_h 58.373 kcal -Vm 156.16 Talc Mg3Si4O10(OH)2 + 4 H2O + 6 H+ = 3 Mg+2 + 4 H4SiO4 - -log_k 21.399 + -log_k 21.399 -delta_h -46.352 kcal -Vm 68.34 Illite - K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 11.2H2O = 0.6K+ + 0.25Mg+2 + 2.3Al(OH)4- + 3.5H4SiO4 + 1.2H+ - -log_k -40.267 + K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 11.2 H2O = 0.6 K+ + 0.25 Mg+2 + 2.3 Al(OH)4- + 3.5 H4SiO4 + 1.2 H+ + -log_k -40.267 -delta_h 54.684 kcal -Vm 141.48 Chrysotile Mg3Si2O5(OH)4 + 6 H+ = H2O + 2 H4SiO4 + 3 Mg+2 - -log_k 32.2 - -delta_h -46.800 kcal - -analytic 13.248 0.0 10217.1 -6.1894 - -Vm 106.5808 # 277.11/2.60 + -log_k 32.2 + -delta_h -46.8 kcal + -analytic 13.248 0 10217.1 -6.1894 + -Vm 106.5808 # 277.11/2.60 Sepiolite - Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4 - -log_k 15.760 - -delta_h -10.700 kcal + Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5 H2O = 2 Mg+2 + 3 H4SiO4 + -log_k 15.76 + -delta_h -10.7 kcal -Vm 143.765 Sepiolite(d) - Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4 - -log_k 18.66 + Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5 H2O = 2 Mg+2 + 3 H4SiO4 + -log_k 18.66 Hematite Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O - -log_k -4.008 + -log_k -4.008 -delta_h -30.845 kcal -Vm 30.39 Goethite FeOOH + 3 H+ = Fe+3 + 2 H2O - -log_k -1.0 - -delta_h -14.48 kcal + -log_k -1 + -delta_h -14.48 kcal -Vm 20.84 Fe(OH)3(a) Fe(OH)3 + 3 H+ = Fe+3 + 3 H2O - -log_k 4.891 + -log_k 4.891 Pyrite FeS2 + 2 H+ + 2 e- = Fe+2 + 2 HS- - -log_k -18.479 - -delta_h 11.300 kcal + -log_k -18.479 + -delta_h 11.3 kcal -Vm 23.48 FeS(ppt) FeS + H+ = Fe+2 + HS- - -log_k -3.915 + -log_k -3.915 Mackinawite FeS + H+ = Fe+2 + HS- - -log_k -4.648 + -log_k -4.648 -Vm 20.45 Sulfur - S + 2H+ + 2e- = H2S - -log_k 4.882 + S + 2 H+ + 2 e- = H2S + -log_k 4.882 -delta_h -9.5 kcal Vivianite Fe3(PO4)2:8H2O = 3 Fe+2 + 2 PO4-3 + 8 H2O - -log_k -36.0 -Pyrolusite # H2O added for surface calc's + -log_k -36 +Pyrolusite # H2O added for surface calc's MnO2:H2O + 4 H+ + 2 e- = Mn+2 + 3 H2O - -log_k 41.38 - -delta_h -65.110 kcal + -log_k 41.38 + -delta_h -65.11 kcal Hausmannite Mn3O4 + 8 H+ + 2 e- = 3 Mn+2 + 4 H2O - -log_k 61.03 - -delta_h -100.640 kcal + -log_k 61.03 + -delta_h -100.64 kcal Manganite MnOOH + 3 H+ + e- = Mn+2 + 2 H2O - -log_k 25.34 + -log_k 25.34 Pyrochroite Mn(OH)2 + 2 H+ = Mn+2 + 2 H2O - -log_k 15.2 + -log_k 15.2 Halite - NaCl = Cl- + Na+ - log_k 1.570 - -delta_h 1.37 + NaCl = Cl- + Na+ + log_k 1.57 + -delta_h 1.37 #-analytic -713.4616 -.1201241 37302.21 262.4583 -2106915. -Vm 27.1 Sylvite - KCl = K+ + Cl- - log_k 0.900 - -delta_h 8.5 - # -analytic 3.984 0.0 -919.55 + KCl = K+ + Cl- + log_k 0.9 + -delta_h 8.5 + # -analytic 3.984 0.0 -919.55 Vm 37.5 # Gases... CO2(g) CO2 = CO2 - -log_k -1.468 + -log_k -1.468 -delta_h -4.776 kcal - -analytic 10.5624 -2.3547e-2 -3972.8 0 5.8746e5 1.9194e-5 - -T_c 304.2 # critical T, K - -P_c 72.86 # critical P, atm + -analytic 10.5624 -2.3547e-2 -3972.8 0 5.8746e5 1.9194e-5 + -T_c 304.2 # critical T, K + -P_c 72.86 # critical P, atm -Omega 0.225 # acentric factor H2O(g) H2O = H2O - -log_k 1.506; delta_h -44.03 kJ - -T_c 647.3 - -P_c 217.60 - -Omega 0.344 - -analytic -16.5066 -2.0013E-3 2710.7 3.7646 0 2.24E-6 + -log_k 1.506; delta_h -44.03 kJ + -T_c 647.3; -P_c 217.6; -Omega 0.344 + -analytic -16.5066 -2.0013E-3 2710.7 3.7646 0 2.24E-6 O2(g) O2 = O2 - -log_k -2.8983 - -analytic -7.5001 7.8981e-3 0.0 0.0 2.0027e5 - -T_c 154.6; -P_c 49.80; -Omega 0.021 + -log_k -2.8983 + -analytic -7.5001 7.8981e-3 0 0 2.0027e5 + -T_c 154.6; -P_c 49.8; -Omega 0.021 H2(g) H2 = H2 - -log_k -3.1050 - -delta_h -4.184 kJ - -analytic -9.3114 4.6473e-3 -49.335 1.4341 1.2815e5 - -T_c 33.2; -P_c 12.80; -Omega -0.225 + -log_k -3.105 + -delta_h -4.184 kJ + -analytic -9.3114 4.6473e-3 -49.335 1.4341 1.2815e5 + -T_c 33.2; -P_c 12.8; -Omega -0.225 N2(g) N2 = N2 - -log_k -3.1864 - -analytic -58.453 1.818e-3 3199 17.909 -27460 - -T_c 126.2; -P_c 33.50; -Omega 0.039 + -log_k -3.1864 + -analytic -58.453 1.818e-3 3199 17.909 -27460 + -T_c 126.2; -P_c 33.5; -Omega 0.039 H2S(g) - H2S = H+ + HS- - log_k -7.93 - -delta_h 9.1 - -analytic -45.07 -0.02418 0 17.9205 # H2S solubilities, 0 - 300°C, 1 - 987 atm, Jiang et al., 2020, CG 555, 119816 - -T_c 373.2; -P_c 88.20; -Omega 0.1 + H2S = H+ + HS- + log_k -7.93 + -delta_h 9.1 + -analytic -45.07 -0.02418 0 17.9205 # H2S solubilities, 0 - 300°C, 1 - 987 atm, Jiang et al., 2020, CG 555, 119816 + -T_c 373.2; -P_c 88.2; -Omega 0.1 CH4(g) CH4 = CH4 -log_k -2.8 - -analytic 10.44 -7.65e-3 -6669 0 1.014e6 # CH4 solubilities 25 - 100°C - -T_c 190.6 ; -P_c 45.40 ; -Omega 0.008 + -analytic 10.44 -7.65e-3 -6669 0 1.014e6 # CH4 solubilities 25 - 100°C + -T_c 190.6; -P_c 45.4; -Omega 0.008 Amm(g) Amm = Amm - -log_k 1.7966 - -analytic -18.758 3.3670e-4 2.5113e3 4.8619 39.192 - -T_c 405.6; -P_c 111.3; -Omega 0.25 +#NH3(g) +# NH3 = NH3 + -log_k 1.7966 + -analytic -18.758 3.367e-4 2.5113e3 4.8619 39.192 + -T_c 405.6; -P_c 111.3; -Omega 0.25 # redox-uncoupled gases Oxg(g) Oxg = Oxg - -analytic -7.5001 7.8981e-3 0.0 0.0 2.0027e5 - -T_c 154.6 ; -P_c 49.80 ; -Omega 0.021 + -analytic -7.5001 7.8981e-3 0 0 2.0027e5 + -T_c 154.6; -P_c 49.8; -Omega 0.021 Hdg(g) Hdg = Hdg - -analytic -9.3114 4.6473e-3 -49.335 1.4341 1.2815e5 - -T_c 33.2 ; -P_c 12.80 ; -Omega -0.225 + -analytic -9.3114 4.6473e-3 -49.335 1.4341 1.2815e5 + -T_c 33.2; -P_c 12.8; -Omega -0.225 Ntg(g) Ntg = Ntg - -analytic -58.453 1.81800e-3 3199 17.909 -27460 - T_c 126.2 ; -P_c 33.50 ; -Omega 0.039 + -analytic -58.453 1.818e-3 3199 17.909 -27460 + T_c 126.2; -P_c 33.5; -Omega 0.039 Mtg(g) Mtg = Mtg -log_k -2.8 - -analytic 10.44 -7.65e-3 -6669 0 1.014e6 # CH4 solubilities 25 - 100°C - -T_c 190.6 ; -P_c 45.40 ; -Omega 0.008 + -analytic 10.44 -7.65e-3 -6669 0 1.014e6 # CH4 solubilities 25 - 100°C + -T_c 190.6; -P_c 45.4; -Omega 0.008 H2Sg(g) - H2Sg = H+ + HSg- - log_k -7.93 - -delta_h 9.1 - -analytic -45.07 -0.02418 0 17.9205 # H2S solubilities, 0 - 300°C, 1 - 987 atm, Jiang et al., 2020, CG 555, 119816 - -T_c 373.2 ; -P_c 88.20 ; -Omega 0.1 + H2Sg = H+ + HSg- + log_k -7.93 + -delta_h 9.1 + -analytic -45.07 -0.02418 0 17.9205 # H2S solubilities, 0 - 300°C, 1 - 987 atm, Jiang et al., 2020, CG 555, 119816 + -T_c 373.2; -P_c 88.2; -Omega 0.1 Melanterite FeSO4:7H2O = 7 H2O + Fe+2 + SO4-2 - -log_k -2.209 - -delta_h 4.910 kcal - -analytic 1.447 -0.004153 0.0 0.0 -214949.0 + -log_k -2.209 + -delta_h 4.91 kcal + -analytic 1.447 -0.004153 0 0 -214949 Alunite - KAl3(SO4)2(OH)6 + 6 H+ = K+ + 3 Al+3 + 2 SO4-2 + 6H2O - -log_k -1.4 - -delta_h -50.250 kcal + KAl3(SO4)2(OH)6 + 6 H+ = K+ + 3 Al+3 + 2 SO4-2 + 6 H2O + -log_k -1.4 + -delta_h -50.25 kcal Jarosite-K KFe3(SO4)2(OH)6 + 6 H+ = 3 Fe+3 + 6 H2O + K+ + 2 SO4-2 - -log_k -9.21 - -delta_h -31.280 kcal + -log_k -9.21 + -delta_h -31.28 kcal Zn(OH)2(e) Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O - -log_k 11.5 + -log_k 11.5 Smithsonite ZnCO3 = Zn+2 + CO3-2 - -log_k -10.0 - -delta_h -4.36 kcal + -log_k -10 + -delta_h -4.36 kcal Sphalerite ZnS + H+ = Zn+2 + HS- - -log_k -11.618 - -delta_h 8.250 kcal -Willemite 289 - Zn2SiO4 + 4H+ = 2Zn+2 + H4SiO4 - -log_k 15.33 - -delta_h -33.37 kcal + -log_k -11.618 + -delta_h 8.25 kcal +Willemite 289 + Zn2SiO4 + 4 H+ = 2 Zn+2 + H4SiO4 + -log_k 15.33 + -delta_h -33.37 kcal Cd(OH)2 Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O - -log_k 13.65 -Otavite 315 + -log_k 13.65 +Otavite 315 CdCO3 = Cd+2 + CO3-2 - -log_k -12.1 - -delta_h -0.019 kcal -CdSiO3 328 - CdSiO3 + H2O + 2H+ = Cd+2 + H4SiO4 - -log_k 9.06 - -delta_h -16.63 kcal -CdSO4 329 + -log_k -12.1 + -delta_h -0.019 kcal +CdSiO3 328 + CdSiO3 + H2O + 2 H+ = Cd+2 + H4SiO4 + -log_k 9.06 + -delta_h -16.63 kcal +CdSO4 329 CdSO4 = Cd+2 + SO4-2 - -log_k -0.1 - -delta_h -14.74 kcal -Cerussite 365 + -log_k -0.1 + -delta_h -14.74 kcal +Cerussite 365 PbCO3 = Pb+2 + CO3-2 - -log_k -13.13 - -delta_h 4.86 kcal -Anglesite 384 + -log_k -13.13 + -delta_h 4.86 kcal +Anglesite 384 PbSO4 = Pb+2 + SO4-2 - -log_k -7.79 - -delta_h 2.15 kcal -Pb(OH)2 389 - Pb(OH)2 + 2H+ = Pb+2 + 2H2O - -log_k 8.15 - -delta_h -13.99 kcal - + -log_k -7.79 + -delta_h 2.15 kcal +Pb(OH)2 389 + Pb(OH)2 + 2 H+ = Pb+2 + 2 H2O + -log_k 8.15 + -delta_h -13.99 kcal +GAS_BINARY_PARAMETERS +H2O(g) CO2(g) 0.19 +H2O(g) H2S(g) 0.19 +H2O(g) H2Sg(g) 0.19 +H2O(g) CH4(g) 0.49 +H2O(g) Mtg(g) 0.49 +H2O(g) Methane(g) 0.49 +H2O(g) N2(g) 0.49 +H2O(g) Ntg(g) 0.49 +H2O(g) Ethane(g) 0.49 +H2O(g) Propane(g) 0.55 EXCHANGE_MASTER_SPECIES - X X- + X X- EXCHANGE_SPECIES X- = X- - -log_k 0.0 + -log_k 0 Na+ + X- = NaX - -log_k 0.0 - -gamma 4.08 0.082 + -log_k 0 + -gamma 4.08 0.082 K+ + X- = KX - -log_k 0.7 - -gamma 3.5 0.015 - -delta_h -4.3 # Jardine & Sparks, 1984 + -log_k 0.7 + -gamma 3.5 0.015 + -delta_h -4.3 # Jardine & Sparks, 1984 Li+ + X- = LiX - -log_k -0.08 - -gamma 6.0 0 - -delta_h 1.4 # Merriam & Thomas, 1956 + -log_k -0.08 + -gamma 6 0 + -delta_h 1.4 # Merriam & Thomas, 1956 # !!!!! -# H+ + X- = HX -# -log_k 1.0 -# -gamma 9.0 0 +# H+ + X- = HX +# -log_k 1.0 +# -gamma 9.0 0 AmmH+ + X- = AmmHX - -log_k 0.6 - -gamma 2.5 0 - -delta_h -2.4 # Laudelout et al., 1968 - - Ca+2 + 2X- = CaX2 - -log_k 0.8 - -gamma 5.0 0.165 - -delta_h 7.2 # Van Bladel & Gheyl, 1980 - - Mg+2 + 2X- = MgX2 - -log_k 0.6 - -gamma 5.5 0.2 - -delta_h 7.4 # Laudelout et al., 1968 - - Sr+2 + 2X- = SrX2 - -log_k 0.91 - -gamma 5.26 0.121 - -delta_h 5.5 # Laudelout et al., 1968 - - Ba+2 + 2X- = BaX2 - -log_k 0.91 - -gamma 4.0 0.153 - -delta_h 4.5 # Laudelout et al., 1968 - - Mn+2 + 2X- = MnX2 - -log_k 0.52 - -gamma 6.0 0 - - Fe+2 + 2X- = FeX2 - -log_k 0.44 - -gamma 6.0 0 - - Cu+2 + 2X- = CuX2 - -log_k 0.6 - -gamma 6.0 0 - - Zn+2 + 2X- = ZnX2 - -log_k 0.8 - -gamma 5.0 0 - - Cd+2 + 2X- = CdX2 - -log_k 0.8 - -gamma 0.0 0 - - Pb+2 + 2X- = PbX2 - -log_k 1.05 - -gamma 0.0 0 - - Al+3 + 3X- = AlX3 - -log_k 0.41 - -gamma 9.0 0 - - AlOH+2 + 2X- = AlOHX2 - -log_k 0.89 - -gamma 0.0 0 +# NH4+ + X- = NH4X + -log_k 0.6 + -gamma 2.5 0 + -delta_h -2.4 # Laudelout et al., 1968 + + Ca+2 + 2 X- = CaX2 + -log_k 0.8 + -gamma 5 0.165 + -delta_h 7.2 # Van Bladel & Gheyl, 1980 + + Mg+2 + 2 X- = MgX2 + -log_k 0.6 + -gamma 5.5 0.2 + -delta_h 7.4 # Laudelout et al., 1968 + + Sr+2 + 2 X- = SrX2 + -log_k 0.91 + -gamma 5.26 0.121 + -delta_h 5.5 # Laudelout et al., 1968 + + Ba+2 + 2 X- = BaX2 + -log_k 0.91 + -gamma 4 0.153 + -delta_h 4.5 # Laudelout et al., 1968 + + Mn+2 + 2 X- = MnX2 + -log_k 0.52 + -gamma 6 0 + + Fe+2 + 2 X- = FeX2 + -log_k 0.44 + -gamma 6 0 + + Cu+2 + 2 X- = CuX2 + -log_k 0.6 + -gamma 6 0 + + Zn+2 + 2 X- = ZnX2 + -log_k 0.8 + -gamma 5 0 + + Cd+2 + 2 X- = CdX2 + -log_k 0.8 + -gamma 0 0 + + Pb+2 + 2 X- = PbX2 + -log_k 1.05 + -gamma 0 0 + + Al+3 + 3 X- = AlX3 + -log_k 0.41 + -gamma 9 0 + + AlOH+2 + 2 X- = AlOHX2 + -log_k 0.89 + -gamma 0 0 SURFACE_MASTER_SPECIES - Hfo_s Hfo_sOH - Hfo_w Hfo_wOH + Hfo_s Hfo_sOH + Hfo_w Hfo_wOH SURFACE_SPECIES # All surface data from # Dzombak and Morel, 1990 @@ -1342,24 +1430,24 @@ SURFACE_SPECIES # strong binding site--Hfo_s, Hfo_sOH = Hfo_sOH - -log_k 0 + -log_k 0 - Hfo_sOH + H+ = Hfo_sOH2+ - -log_k 7.29 # = pKa1,int + Hfo_sOH + H+ = Hfo_sOH2+ + -log_k 7.29 # = pKa1,int Hfo_sOH = Hfo_sO- + H+ - -log_k -8.93 # = -pKa2,int + -log_k -8.93 # = -pKa2,int # weak binding site--Hfo_w Hfo_wOH = Hfo_wOH - -log_k 0 + -log_k 0 - Hfo_wOH + H+ = Hfo_wOH2+ - -log_k 7.29 # = pKa1,int + Hfo_wOH + H+ = Hfo_wOH2+ + -log_k 7.29 # = pKa1,int Hfo_wOH = Hfo_wO- + H+ - -log_k -8.93 # = -pKa2,int + -log_k -8.93 # = -pKa2,int ############################################### # CATIONS # ############################################### @@ -1368,52 +1456,52 @@ SURFACE_SPECIES # # Calcium Hfo_sOH + Ca+2 = Hfo_sOHCa+2 - -log_k 4.97 + -log_k 4.97 Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+ -log_k -5.85 # Strontium Hfo_sOH + Sr+2 = Hfo_sOHSr+2 - -log_k 5.01 + -log_k 5.01 Hfo_wOH + Sr+2 = Hfo_wOSr+ + H+ -log_k -6.58 - Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2H+ + Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2 H+ -log_k -17.6 # Barium Hfo_sOH + Ba+2 = Hfo_sOHBa+2 - -log_k 5.46 + -log_k 5.46 Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+ - -log_k -7.2 # table 10.5 + -log_k -7.2 # table 10.5 # # Cations from table 10.2 # # Cadmium Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+ - -log_k 0.47 + -log_k 0.47 Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+ - -log_k -2.91 + -log_k -2.91 # Zinc Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+ - -log_k 0.99 + -log_k 0.99 Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+ - -log_k -1.99 + -log_k -1.99 # Copper Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+ - -log_k 2.89 + -log_k 2.89 Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+ - -log_k 0.6 # table 10.5 + -log_k 0.6 # table 10.5 # Lead Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+ - -log_k 4.65 + -log_k 4.65 Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+ - -log_k 0.3 # table 10.5 + -log_k 0.3 # table 10.5 # # Derived constants table 10.5 # @@ -1422,18 +1510,18 @@ SURFACE_SPECIES -log_k -4.6 # Manganese Hfo_sOH + Mn+2 = Hfo_sOMn+ + H+ - -log_k -0.4 # table 10.5 + -log_k -0.4 # table 10.5 Hfo_wOH + Mn+2 = Hfo_wOMn+ + H+ - -log_k -3.5 # table 10.5 + -log_k -3.5 # table 10.5 # Iron, strong site: Appelo, Van der Weiden, Tournassat & Charlet, EST 36, 3096 Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+ - -log_k -0.95 + -log_k -0.95 # Iron, weak site: Liger et al., GCA 63, 2939, re-optimized for D&M Hfo_wOH + Fe+2 = Hfo_wOFe+ + H+ -log_k -2.98 - Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2H+ + Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2 H+ -log_k -11.55 ############################################### # ANIONS # @@ -1442,51 +1530,74 @@ SURFACE_SPECIES # Anions from table 10.6 # # Phosphate - Hfo_wOH + PO4-3 + 3H+ = Hfo_wH2PO4 + H2O - -log_k 31.29 + Hfo_wOH + PO4-3 + 3 H+ = Hfo_wH2PO4 + H2O + -log_k 31.29 - Hfo_wOH + PO4-3 + 2H+ = Hfo_wHPO4- + H2O - -log_k 25.39 + Hfo_wOH + PO4-3 + 2 H+ = Hfo_wHPO4- + H2O + -log_k 25.39 Hfo_wOH + PO4-3 + H+ = Hfo_wPO4-2 + H2O - -log_k 17.72 + -log_k 17.72 # # Anions from table 10.7 # # Borate Hfo_wOH + H3BO3 = Hfo_wH2BO3 + H2O - -log_k 0.62 + -log_k 0.62 # # Anions from table 10.8 # # Sulfate Hfo_wOH + SO4-2 + H+ = Hfo_wSO4- + H2O - -log_k 7.78 + -log_k 7.78 Hfo_wOH + SO4-2 = Hfo_wOHSO4-2 - -log_k 0.79 + -log_k 0.79 # # Derived constants table 10.10 # Hfo_wOH + F- + H+ = Hfo_wF + H2O - -log_k 8.7 + -log_k 8.7 Hfo_wOH + F- = Hfo_wOHF- - -log_k 1.6 + -log_k 1.6 # # Carbonate: Van Geen et al., 1994 reoptimized for D&M model # Hfo_wOH + CO3-2 + H+ = Hfo_wCO3- + H2O - -log_k 12.56 + -log_k 12.56 - Hfo_wOH + CO3-2 + 2H+= Hfo_wHCO3 + H2O - -log_k 20.62 + Hfo_wOH + CO3-2 + 2 H+ = Hfo_wHCO3 + H2O + -log_k 20.62 # # Silicate: Swedlund, P.J. and Webster, J.G., 1999. Water Research 33, 3413-3422. # - Hfo_wOH + H4SiO4 = Hfo_wH3SiO4 + H2O ; log_K 4.28 - Hfo_wOH + H4SiO4 = Hfo_wH2SiO4- + H+ + H2O ; log_K -3.22 - Hfo_wOH + H4SiO4 = Hfo_wHSiO4-2 + 2H+ + H2O ; log_K -11.69 + Hfo_wOH + H4SiO4 = Hfo_wH3SiO4 + H2O ; log_K 4.28 + Hfo_wOH + H4SiO4 = Hfo_wH2SiO4- + H+ + H2O; log_K -3.22 + Hfo_wOH + H4SiO4 = Hfo_wHSiO4-2 + 2 H+ + H2O; log_K -11.69 + +MEAN_GAMMAS +CaCl2 Ca+2 1 Cl- 2 +CaSO4 Ca+2 1 SO4-2 1 +CaCO3 Ca+2 1 CO3-2 1 +Ca(OH)2 Ca+2 1 OH- 2 +MgCl2 Mg+2 1 Cl- 2 +MgSO4 Mg+2 1 SO4-2 1 +MgCO3 Mg+2 1 CO3-2 1 +Mg(OH)2 Mg+2 1 OH- 2 +NaCl Na+ 1 Cl- 1 +Na2SO4 Na+ 2 SO4-2 1 +NaHCO3 Na+ 1 HCO3- 1 +Na2CO3 Na+ 2 CO3-2 1 +NaOH Na+ 1 OH- 1 +KCl K+ 1 Cl- 1 +K2SO4 K+ 2 SO4-2 1 +HCO3 K+ 1 HCO3- 1 +K2CO3 K+ 2 CO3-2 1 +KOH K+ 1 OH- 1 +HCl H+ 1 Cl- 1 +H2SO4 H+ 2 SO4-2 1 +HBr H+ 1 Br- 1 RATES @@ -1496,25 +1607,25 @@ RATES # ####### # Example of quartz kinetic rates block: -# KINETICS -# Quartz -# -m0 158.8 # 90 % Qu -# -parms 0.146 1.5 -# -step 3.1536e8 in 10 -# -tol 1e-12 +# KINETICS +# Quartz +# -m0 158.8 # 90 % Qu +# -parms 0.146 1.5 +# -step 3.1536e8 in 10 +# -tol 1e-12 Quartz -start -1 REM Specific rate k from Rimstidt and Barnes, 1980, GCA 44,1683 -2 REM k = 10^-13.7 mol/m2/s (25 C), Ea = 90 kJ/mol -3 REM sp. rate * parm(2) due to salts (Dove and Rimstidt, MSA Rev. 29, 259) -4 REM PARM(1) = Specific area of Quartz, m^2/mol Quartz -5 REM PARM(2) = salt correction: (1 + 1.5 * c_Na (mM)), < 35 +1 REM Specific rate k from Rimstidt and Barnes, 1980, GCA 44,1683 +2 REM k = 10^-13.7 mol/m2/s (25 C), Ea = 90 kJ/mol +3 REM sp. rate * parm(2) due to salts (Dove and Rimstidt, MSA Rev. 29, 259) +4 REM PARM(1) = Specific area of Quartz, m^2/mol Quartz +5 REM PARM(2) = salt correction: (1 + 1.5 * c_Na (mM)), < 35 10 dif_temp = 1/TK - 1/298 20 pk_w = 13.7 + 4700.4 * dif_temp -40 moles = PARM(1) * M0 * PARM(2) * (M/M0)^0.67 * 10^-pk_w * (1 - SR("Quartz")) -# Integrate... +40 moles = PARM(1) * M0 * PARM(2) * (M/M0)^0.67 * 10^-pk_w * (1 - SR("Quartz")) +# Integrate... 50 SAVE moles * TIME -end @@ -1536,60 +1647,60 @@ Quartz # GFW Kspar 0.278 kg/mol # # Moles of Kspar per liter pore space calculation: -# Mass of rock per liter pore space = 0.7*2.6/0.3 = 6.07 kg rock/L pore space -# Mass of Kspar per liter pore space 6.07x0.1 = 0.607 kg Kspar/L pore space -# Moles of Kspar per liter pore space 0.607/0.278 = 2.18 mol Kspar/L pore space +# Mass of rock per liter pore space = 0.7*2.6/0.3 = 6.07 kg rock/L pore space +# Mass of Kspar per liter pore space 6.07x0.1 = 0.607 kg Kspar/L pore space +# Moles of Kspar per liter pore space 0.607/0.278 = 2.18 mol Kspar/L pore space # # Specific area calculation: -# Volume of sphere 4/3 x pi x r^3 = 5.24e-13 m^3 Kspar/sphere -# Mass of sphere 2600 x 5.24e-13 = 1.36e-9 kg Kspar/sphere -# Moles of Kspar in sphere 1.36e-9/0.278 = 4.90e-9 mol Kspar/sphere -# Surface area of one sphere 4 x pi x r^2 = 3.14e-8 m^2/sphere +# Volume of sphere 4/3 x pi x r^3 = 5.24e-13 m^3 Kspar/sphere +# Mass of sphere 2600 x 5.24e-13 = 1.36e-9 kg Kspar/sphere +# Moles of Kspar in sphere 1.36e-9/0.278 = 4.90e-9 mol Kspar/sphere +# Surface area of one sphere 4 x pi x r^2 = 3.14e-8 m^2/sphere # Specific area of K-feldspar in sphere 3.14e-8/4.90e-9 = 6.41 m^2/mol Kspar # # # Example of KINETICS data block for K-feldspar rate: -# KINETICS 1 -# K-feldspar -# -m0 2.18 # 10% Kspar, 0.1 mm cubes -# -m 2.18 # Moles per L pore space -# -parms 6.41 0.1 # m^2/mol Kspar, fraction adjusts lab rate to field rate -# -time 1.5 year in 40 +# KINETICS 1 +# K-feldspar +# -m0 2.18 # 10% Kspar, 0.1 mm cubes +# -m 2.18 # Moles per L pore space +# -parms 6.41 0.1 # m^2/mol Kspar, fraction adjusts lab rate to field rate +# -time 1.5 year in 40 K-feldspar -start -1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 -2 REM PARM(1) = Specific area of Kspar m^2/mol Kspar -3 REM PARM(2) = Adjusts lab rate to field rate -4 REM temp corr: from A&P, p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) -5 REM K-Feldspar parameters -10 DATA 11.7, 0.5, 4e-6, 0.4, 500e-6, 0.15, 14.5, 0.14, 0.15, 13.1, 0.3 -20 RESTORE 10 -30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH -40 DATA 3500, 2000, 2500, 2000 -50 RESTORE 40 -60 READ e_H, e_H2O, e_OH, e_CO2 -70 pk_CO2 = 13 -80 n_CO2 = 0.6 +1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 +2 REM PARM(1) = Specific area of Kspar m^2/mol Kspar +3 REM PARM(2) = Adjusts lab rate to field rate +4 REM temp corr: from A&P, p. 162: E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) +5 REM K-Feldspar parameters +10 DATA 11.7, 0.5, 4e-6, 0.4, 500e-6, 0.15, 14.5, 0.14, 0.15, 13.1, 0.3 +20 RESTORE 10 +30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH +40 DATA 3500, 2000, 2500, 2000 +50 RESTORE 40 +60 READ e_H, e_H2O, e_OH, e_CO2 +70 pk_CO2 = 13 +80 n_CO2 = 0.6 100 REM Generic rate follows 110 dif_temp = 1/TK - 1/281 -120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2") +120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2") 130 REM rate by H+ -140 pk_H = pk_H + e_H * dif_temp -150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC) +140 pk_H = pk_H + e_H * dif_temp +150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC) 160 REM rate by hydrolysis -170 pk_H2O = pk_H2O + e_H2O * dif_temp +170 pk_H2O = pk_H2O + e_H2O * dif_temp 180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC) 190 REM rate by OH- -200 pk_OH = pk_OH + e_OH * dif_temp -210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH +200 pk_OH = pk_OH + e_OH * dif_temp +210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH 220 REM rate by CO2 -230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp +230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp 240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2 -250 rate = rate_H + rate_H2O + rate_OH + rate_CO2 -260 area = PARM(1) * M0 *(M/M0)^0.67 -270 rate = PARM(2) * area * rate * (1-SR("K-feldspar")) -280 moles = rate * TIME +250 rate = rate_H + rate_H2O + rate_OH + rate_CO2 +260 area = PARM(1) * M0 *(M/M0)^0.67 +270 rate = PARM(2) * area * rate * (1-SR("K-feldspar")) +280 moles = rate * TIME 290 SAVE moles -end @@ -1608,63 +1719,63 @@ K-feldspar # p. 162-163 and 395-399. # # Example of KINETICS data block for Albite rate: -# KINETICS 1 -# Albite -# -m0 0.46 # 2% Albite, 0.1 mm cubes -# -m 0.46 # Moles per L pore space -# -parms 6.04 0.1 # m^2/mol Albite, fraction adjusts lab rate to field rate -# -time 1.5 year in 40 +# KINETICS 1 +# Albite +# -m0 0.46 # 2% Albite, 0.1 mm cubes +# -m 0.46 # Moles per L pore space +# -parms 6.04 0.1 # m^2/mol Albite, fraction adjusts lab rate to field rate +# -time 1.5 year in 40 # # Assume soil is 2% Albite by mass in 1 mm spheres (radius 0.05 mm) # Assume density of rock and Albite is 2600 kg/m^3 = 2.6 kg/L # GFW Albite 0.262 kg/mol # # Moles of Albite per liter pore space calculation: -# Mass of rock per liter pore space = 0.7*2.6/0.3 = 6.07 kg rock/L pore space -# Mass of Albite per liter pore space 6.07x0.02 = 0.121 kg Albite/L pore space -# Moles of Albite per liter pore space 0.607/0.262 = 0.46 mol Albite/L pore space +# Mass of rock per liter pore space = 0.7*2.6/0.3 = 6.07 kg rock/L pore space +# Mass of Albite per liter pore space 6.07x0.02 = 0.121 kg Albite/L pore space +# Moles of Albite per liter pore space 0.607/0.262 = 0.46 mol Albite/L pore space # # Specific area calculation: -# Volume of sphere 4/3 x pi x r^3 = 5.24e-13 m^3 Albite/sphere -# Mass of sphere 2600 x 5.24e-13 = 1.36e-9 kg Albite/sphere -# Moles of Albite in sphere 1.36e-9/0.262 = 5.20e-9 mol Albite/sphere -# Surface area of one sphere 4 x pi x r^2 = 3.14e-8 m^2/sphere -# Specific area of Albite in sphere 3.14e-8/5.20e-9 = 6.04 m^2/mol Albite +# Volume of sphere 4/3 x pi x r^3 = 5.24e-13 m^3 Albite/sphere +# Mass of sphere 2600 x 5.24e-13 = 1.36e-9 kg Albite/sphere +# Moles of Albite in sphere 1.36e-9/0.262 = 5.20e-9 mol Albite/sphere +# Surface area of one sphere 4 x pi x r^2 = 3.14e-8 m^2/sphere +# Specific area of Albite in sphere 3.14e-8/5.20e-9 = 6.04 m^2/mol Albite Albite -start -1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 -2 REM PARM(1) = Specific area of Albite m^2/mol Albite -3 REM PARM(2) = Adjusts lab rate to field rate -4 REM temp corr: from A&P, p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) -5 REM Albite parameters -10 DATA 11.5, 0.5, 4e-6, 0.4, 500e-6, 0.2, 13.7, 0.14, 0.15, 11.8, 0.3 -20 RESTORE 10 -30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH -40 DATA 3500, 2000, 2500, 2000 -50 RESTORE 40 -60 READ e_H, e_H2O, e_OH, e_CO2 -70 pk_CO2 = 13 -80 n_CO2 = 0.6 +1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 +2 REM PARM(1) = Specific area of Albite m^2/mol Albite +3 REM PARM(2) = Adjusts lab rate to field rate +4 REM temp corr: from A&P, p. 162 E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) +5 REM Albite parameters +10 DATA 11.5, 0.5, 4e-6, 0.4, 500e-6, 0.2, 13.7, 0.14, 0.15, 11.8, 0.3 +20 RESTORE 10 +30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH +40 DATA 3500, 2000, 2500, 2000 +50 RESTORE 40 +60 READ e_H, e_H2O, e_OH, e_CO2 +70 pk_CO2 = 13 +80 n_CO2 = 0.6 100 REM Generic rate follows 110 dif_temp = 1/TK - 1/281 -120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2") +120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2") 130 REM rate by H+ -140 pk_H = pk_H + e_H * dif_temp -150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC) +140 pk_H = pk_H + e_H * dif_temp +150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC) 160 REM rate by hydrolysis -170 pk_H2O = pk_H2O + e_H2O * dif_temp +170 pk_H2O = pk_H2O + e_H2O * dif_temp 180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC) 190 REM rate by OH- -200 pk_OH = pk_OH + e_OH * dif_temp -210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH +200 pk_OH = pk_OH + e_OH * dif_temp +210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH 220 REM rate by CO2 -230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp +230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp 240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2 -250 rate = rate_H + rate_H2O + rate_OH + rate_CO2 -260 area = PARM(1) * M0 *(M/M0)^0.67 -270 rate = PARM(2) * area * rate * (1-SR("Albite")) -280 moles = rate * TIME +250 rate = rate_H + rate_H2O + rate_OH + rate_CO2 +260 area = PARM(1) * M0 *(M/M0)^0.67 +270 rate = PARM(2) * area * rate * (1-SR("Albite")) +280 moles = rate * TIME 290 SAVE moles -end @@ -1672,27 +1783,27 @@ Albite #Calcite ######## # Example of KINETICS data block for calcite rate, -# in mmol/cm2/s, Plummer et al., 1978, AJS 278, 179; Appelo et al., AG 13, 257. +# in mmol/cm2/s, Plummer et al., 1978, AJS 278, 179; Appelo et al., AG 13, 257 # KINETICS 1 # Calcite # -tol 1e-8 # -m0 3.e-3 -# -m 3.e-3 +# -m 3.e-3 # -parms 1.67e5 0.6 # cm^2/mol calcite, exp factor # -time 1 day Calcite -start -1 REM PARM(1) = specific surface area of calcite, cm^2/mol calcite -2 REM PARM(2) = exponent for M/M0 - -10 si_cc = SI("Calcite") -20 IF (M <= 0 and si_cc < 0) THEN GOTO 200 -30 k1 = 10^(0.198 - 444.0 / TK ) -40 k2 = 10^(2.84 - 2177.0 /TK ) -50 IF TC <= 25 THEN k3 = 10^(-5.86 - 317.0 / TK) -60 IF TC > 25 THEN k3 = 10^(-1.1 - 1737.0 / TK ) -80 IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M +1 REM PARM(1) = specific surface area of calcite, cm^2/mol calcite +2 REM PARM(2) = exponent for M/M0 + +10 si_cc = SI("Calcite") +20 IF (M <= 0 and si_cc < 0) THEN GOTO 200 +30 k1 = 10^(0.198 - 444 / TK ) +40 k2 = 10^(2.84 - 2177 /TK ) +50 IF TC <= 25 THEN k3 = 10^(-5.86 - 317 / TK) +60 IF TC > 25 THEN k3 = 10^(-1.1 - 1737 / TK ) +80 IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M 110 rate = area * (k1 * ACT("H+") + k2 * ACT("CO2") + k3 * ACT("H2O")) 120 rate = rate * (1 - 10^(2/3*si_cc)) 130 moles = rate * 0.001 * TIME # convert from mmol to mol @@ -1708,27 +1819,27 @@ Calcite # rate equation is mol m^-2 s^-1. # # Example of KINETICS data block for pyrite rate: -# KINETICS 1 -# Pyrite -# -tol 1e-8 -# -m0 5.e-4 -# -m 5.e-4 -# -parms 0.3 0.67 .5 -0.11 -# -time 1 day in 10 +# KINETICS 1 +# Pyrite +# -tol 1e-8 +# -m0 5.e-4 +# -m 5.e-4 +# -parms 0.3 0.67 .5 -0.11 +# -time 1 day in 10 Pyrite -start -1 REM Williamson and Rimstidt, 1994 -2 REM PARM(1) = log10(specific area), log10(m^2 per mole pyrite) -3 REM PARM(2) = exp for (M/M0) -4 REM PARM(3) = exp for O2 -5 REM PARM(4) = exp for H+ - -10 REM Dissolution in presence of DO -20 if (M <= 0) THEN GOTO 200 -30 if (SI("Pyrite") >= 0) THEN GOTO 200 -40 log_rate = -8.19 + PARM(3)*LM("O2") + PARM(4)*LM("H+") -50 log_area = PARM(1) + LOG10(M0) + PARM(2)*LOG10(M/M0) -60 moles = 10^(log_area + log_rate) * TIME +1 REM Williamson and Rimstidt, 1994 +2 REM PARM(1) = log10(specific area), log10(m^2 per mole pyrite) +3 REM PARM(2) = exp for (M/M0) +4 REM PARM(3) = exp for O2 +5 REM PARM(4) = exp for H+ + +10 REM Dissolution in presence of DO +20 if (M <= 0) THEN GOTO 200 +30 if (SI("Pyrite") >= 0) THEN GOTO 200 +40 log_rate = -8.19 + PARM(3)*LM("O2") + PARM(4)*LM("H+") +50 log_area = PARM(1) + LOG10(M0) + PARM(2)*LOG10(M/M0) +60 moles = 10^(log_area + log_rate) * TIME 200 SAVE moles -end @@ -1737,27 +1848,27 @@ Pyrite ########## # # Example of KINETICS data block for SOC (sediment organic carbon): -# KINETICS 1 -# Organic_C -# -formula C -# -tol 1e-8 -# -m 5e-3 # SOC in mol -# -time 30 year in 15 +# KINETICS 1 +# Organic_C +# -formula C +# -tol 1e-8 +# -m 5e-3 # SOC in mol +# -time 30 year in 15 Organic_C -start -1 REM Additive Monod kinetics for SOC (sediment organic carbon) -2 REM Electron acceptors: O2, NO3, and SO4 - -10 if (M <= 0) THEN GOTO 200 -20 mO2 = MOL("O2") -30 mNO3 = TOT("N(5)") -40 mSO4 = TOT("S(6)") -50 k_O2 = 1.57e-9 # 1/sec -60 k_NO3 = 1.67e-11 # 1/sec -70 k_SO4 = 1.e-13 # 1/sec -80 rate = k_O2 * mO2/(2.94e-4 + mO2) -90 rate = rate + k_NO3 * mNO3/(1.55e-4 + mNO3) -100 rate = rate + k_SO4 * mSO4/(1.e-4 + mSO4) +1 REM Additive Monod kinetics for SOC (sediment organic carbon) +2 REM Electron acceptors: O2, NO3, and SO4 + +10 if (M <= 0) THEN GOTO 200 +20 mO2 = MOL("O2") +30 mNO3 = TOT("N(5)") +40 mSO4 = TOT("S(6)") +50 k_O2 = 1.57e-9 # 1/sec +60 k_NO3 = 1.67e-11 # 1/sec +70 k_SO4 = 1.e-13 # 1/sec +80 rate = k_O2 * mO2/(2.94e-4 + mO2) +90 rate = rate + k_NO3 * mNO3/(1.55e-4 + mNO3) +100 rate = rate + k_SO4 * mSO4/(1.e-4 + mSO4) 110 moles = rate * M * (M/M0) * TIME 200 SAVE moles -end @@ -1770,72 +1881,87 @@ Organic_C # Rate equation given as mol L^-1 s^-1 # # Example of KINETICS data block for Pyrolusite -# KINETICS 1-12 -# Pyrolusite -# -tol 1.e-7 -# -m0 0.1 -# -m 0.1 -# -time 0.5 day in 10 +# KINETICS 1-12 +# Pyrolusite +# -tol 1.e-7 +# -m0 0.1 +# -m 0.1 +# -time 0.5 day in 10 Pyrolusite -start -10 if (M <= 0) THEN GOTO 200 -20 sr_pl = SR("Pyrolusite") -30 if (sr_pl > 1) THEN GOTO 100 -40 REM sr_pl <= 1, undersaturated -50 Fe_t = TOT("Fe(2)") -60 if Fe_t < 1e-8 then goto 200 -70 moles = 6.98e-5 * Fe_t * (M/M0)^0.67 * TIME * (1 - sr_pl) -80 GOTO 200 +10 if (M <= 0) THEN GOTO 200 +20 sr_pl = SR("Pyrolusite") +30 if (sr_pl > 1) THEN GOTO 100 +40 REM sr_pl <= 1, undersaturated +50 Fe_t = TOT("Fe(2)") +60 if Fe_t < 1e-8 then goto 200 +70 moles = 6.98e-5 * Fe_t * (M/M0)^0.67 * TIME * (1 - sr_pl) +80 GOTO 200 100 REM sr_pl > 1, supersaturated 110 moles = 2e-3 * 6.98e-5 * (1 - sr_pl) * TIME 200 SAVE moles * SOLN_VOL -end + END # ============================================================================================= -#(a) means amorphous. (d) means disordered, or less crystalline. -#(14A) refers to 14 angstrom spacing of clay planes. FeS(ppt), -#precipitated, indicates an initial precipitate that is less crystalline. +#(a) means amorphous. (d) means disordered, or less crystalline. +#(14A) refers to 14 angstrom spacing of clay planes. FeS(ppt), +#precipitated, indicates an initial precipitate that is less crystalline. #Zn(OH)2(e) indicates a specific crystal form, epsilon. -# ============================================================================================= +# ============================================================================================= # For the reaction aA + bB = cC + dD, # with delta_v = c*Vm(C) + d*Vm(D) - a*Vm(A) - b*Vm(B), # PHREEQC adds the pressure term to log_k: -= delta_v * (P - 1) / (2.3RT). # Vm(A) is volume of A, cm3/mol, P is pressure, atm, R is the gas constant, T is Kelvin. # Gas-pressures and fugacity coefficients are calculated with Peng-Robinson's EOS. -# Binary interaction coefficients from Soreide and Whitson, 1992, FPE 77, 217 are +# These binary interaction coefficients from Soreide and Whitson, 1992, FPE 77, 217 are # hard-coded in calc_PR(): # kij CH4 CO2 H2S N2 # H2O 0.49 0.19 0.19 0.49 +# but are overwritten by the data block GAS_BINARY_PARAMETERS of this file. # ============================================================================================= # The molar volumes of solids are entered with -# -Vm vm cm3/mol +# -Vm vm cm3/mol # vm is the molar volume, cm3/mol (default), but dm3/mol and m3/mol are permitted. # Data for minerals' vm (= MW (g/mol) / rho (g/cm3)) are defined using rho from # Deer, Howie and Zussman, The rock-forming minerals, Longman. -# -------------------- +# -------------------- # Temperature- and pressure-dependent volumina of aqueous species are calculated with a Redlich- -# type equation (cf. Redlich and Meyer, Chem. Rev. 64, 221), from parameters entered with -# -Vm a1 a2 a3 a4 W a0 i1 i2 i3 i4 +# type equation (cf. Redlich and Meyer, Chem. Rev. 64, 221), from parameters entered with +# -Vm a1 a2 a3 a4 W a0 i1 i2 i3 i4 # The volume (cm3/mol) is # Vm(T, pb, I) = 41.84 * (a1 * 0.1 + a2 * 100 / (2600 + pb) + a3 / (T - 228) + -# a4 * 1e4 / (2600 + pb) / (T - 228) - W * QBrn) -# + z^2 / 2 * Av * f(I^0.5) -# + (i1 + i2 / (T - 228) + i3 * (T - 228)) * I^i4 +# a4 * 1e4 / (2600 + pb) / (T - 228) - W * QBrn) +# + z^2 / 2 * Av * f(I^0.5) +# + (i1 + i2 / (T - 228) + i3 * (T - 228)) * I^i4 # Volumina at I = 0 are obtained using supcrt92 formulas (Johnson et al., 1992, CG 18, 899). # 41.84 transforms cal/bar/mol into cm3/mol. # pb is pressure in bar. # W * QBrn is the energy of solvation, calculated from W and the pressure dependence of the Born equation, -# W is fitted on measured solution densities. +# W is fitted on measured solution densities. # z is charge of the solute species. -# Av is the Debye-Hückel limiting slope (DH_AV in PHREEQC basic). -# a0 is the ion-size parameter in the extended Debye-Hückel equation: -# f(I^0.5) = I^0.5 / (1 + a0 * DH_B * I^0.5), -# a0 = -gamma x for cations, = 0 for anions. +# Av is the Debye-Hückel limiting slope (DH_AV in PHREEQC basic). +# a0 is the ion-size parameter in the extended Debye-Hückel equation: +# f(I^0.5) = I^0.5 / (1 + a0 * DH_B * I^0.5), +# a0 = -gamma x for cations, = 0 for anions. # For details, consult ref. 1. +# ============================================================================================= +# The viscosity is calculated with a (modified) Jones-Dole equation: +# viscos / viscos_0 = 1 + A * Sum(0.5 z_i m_i) + fan * Sum(B_i m_i + D_i m_i n_i) +# Parameters are for calculating the B and D terms: +# -viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.570 0 +# # b0 b1 b2 d1 d2 d3 tan +# z_i is absolute charge number, m_i is molality of i +# B_i = b0 + b1 exp(-b2 * tc) +# fan = (2 - tan V_i / V_Cl-), corrects for the volume of anions +# D_i = d1 * exp(-d2 tc) +# n_i = (I^d3 * (1 + fI) + ((z_i^2 + z_i) / 2 · m_i)^d3) / (2 + fI), fI is an ionic strength term. +# For details, consult ref. 4. # -# ref. 1: Appelo, Parkhurst and Post, 2014. Geochim. Cosmochim. Acta 125, 49–67. -# ref. 2: Procedures from ref. 1 using data compiled by Laliberté, 2009, J. Chem. Eng. Data 54, 1725. +# ref. 1: Appelo, Parkhurst and Post, 2014. Geochim. Cosmochim. Acta 125, 49–67. +# ref. 2: Procedures from ref. 1 using data compiled by Laliberté, 2009, J. Chem. Eng. Data 54, 1725. # ref. 3: Appelo, 2017, Cem. Concr. Res. 101, 102-113. +# ref. 4: Appelo and Parkhurst in prep., for details see subroutine viscosity in transport.cpp # # ============================================================================================= # It remains the responsibility of the user to check the calculated results, for example with diff --git a/src/phreeqcinwt/databases/Tipping_Hurley.dat b/src/phreeqcinwt/databases/Tipping_Hurley.dat index 792e440..ea61af2 100644 --- a/src/phreeqcinwt/databases/Tipping_Hurley.dat +++ b/src/phreeqcinwt/databases/Tipping_Hurley.dat @@ -1,1397 +1,1400 @@ -# $Id: wateq4f.dat 6895 2012-08-21 18:10:05Z dlpark $ +# File 1 = C:\GitPrograms\phreeqc3-1\database\Tipping_Hurley.dat, 11/09/2013 23:05, 4134 lines, 111410 bytes, md5=ffec89dbc1a8a57aec1a0f8e2fc8f922 +# Created 17 May 2024 14:30:44 +# c:\3rdParty\lsp\lsp.exe -f2 -k="asis" -ts "Tipping_Hurley.dat" + # Revised arsenic data from Archer and Nordstrom (2002) SOLUTION_MASTER_SPECIES -Ag Ag+ 0.0 107.868 107.868 -Al Al+3 0.0 26.9815 26.9815 -Alkalinity CO3-2 1.0 50.05 50.05 -As H3AsO4 -1.0 74.9216 74.9216 -As(+3) H3AsO3 0.0 74.9216 74.9216 -As(+5) H3AsO4 -1.0 74.9216 -B H3BO3 0.0 10.81 10.81 -Ba Ba+2 0.0 137.34 137.34 -Br Br- 0.0 79.904 79.904 -C CO3-2 2.0 61.0173 12.0111 -C(+4) CO3-2 2.0 61.0173 -C(-4) CH4 0.0 16.042 -Ca Ca+2 0.0 40.08 40.08 -Cd Cd+2 0.0 112.4 112.4 -Cl Cl- 0.0 35.453 35.453 -Cs Cs+ 0.0 132.905 132.905 -Cu Cu+2 0.0 63.546 63.546 -Cu(+1) Cu+1 0.0 63.546 -Cu(+2) Cu+2 0.0 63.546 -E e- 0.0 0.0 0.0 -F F- 0.0 18.9984 18.9984 -Fe Fe+2 0.0 55.847 55.847 -Fe(+2) Fe+2 0.0 55.847 -Fe(+3) Fe+3 -2.0 55.847 -Fulvate Fulvate-2 0.0 650. 650. -H H+ -1. 1.008 1.008 -H(0) H2 0.0 1.008 -H(1) H+ -1. 1.008 -Humate Humate-2 0.0 2000. 2000. -I I- 0.0 126.9044 126.9044 -K K+ 0.0 39.102 39.102 -Li Li+ 0.0 6.939 6.939 -Mg Mg+2 0.0 24.312 24.312 -Mn Mn+2 0.0 54.938 54.938 -Mn(2) Mn+2 0.0 54.938 -Mn(3) Mn+3 0.0 54.938 -Mn(6) MnO4-2 0.0 54.938 -Mn(7) MnO4- 0.0 54.938 -N NO3- 0.0 14.0067 14.0067 -N(-3) NH4+ 0.0 14.0067 -N(0) N2 0.0 14.0067 -N(+3) NO2- 0.0 14.0067 -N(+5) NO3- 0.0 14.0067 -Na Na+ 0.0 22.9898 22.9898 -Ni Ni+2 0.0 58.71 58.71 -O H2O 0.0 16.00 16.00 -O(-2) H2O 0.0 18.016 -O(0) O2 0.0 16.00 -P PO4-3 2.0 30.9738 30.9738 -Pb Pb+2 0.0 207.19 207.19 -Rb Rb+ 0.0 85.47 85.47 -S SO4-2 0.0 96.0616 32.064 -S(-2) H2S 0.0 32.064 -S(6) SO4-2 0.0 96.0616 -Se SeO4-2 0.0 78.96 78.96 -Se(-2) HSe- 0.0 78.96 -Se(4) SeO3-2 0.0 78.96 -Se(6) SeO4-2 0.0 78.96 -Si H4SiO4 0.0 60.0843 28.0843 -Sr Sr+2 0.0 87.62 87.62 -Zn Zn+2 0.0 65.37 65.37 -U UO2+2 0.0 238.0290 238.0290 -U(3) U+3 0.0 238.0290 238.0290 -U(4) U+4 0.0 238.0290 238.0290 -U(5) UO2+ 0.0 238.0290 238.0290 -U(6) UO2+2 0.0 238.0290 238.0290 +Ag Ag+ 0 107.868 107.868 +Al Al+3 0 26.9815 26.9815 +Alkalinity CO3-2 1 50.05 50.05 +As H3AsO4 -1 74.9216 74.9216 +As(+3) H3AsO3 0 74.9216 74.9216 +As(+5) H3AsO4 -1 74.9216 +B H3BO3 0 10.81 10.81 +Ba Ba+2 0 137.34 137.34 +Br Br- 0 79.904 79.904 +C CO3-2 2 61.0173 12.0111 +C(+4) CO3-2 2 61.0173 +C(-4) CH4 0 16.042 +Ca Ca+2 0 40.08 40.08 +Cd Cd+2 0 112.4 112.4 +Cl Cl- 0 35.453 35.453 +Cs Cs+ 0 132.905 132.905 +Cu Cu+2 0 63.546 63.546 +Cu(+1) Cu+1 0 63.546 +Cu(+2) Cu+2 0 63.546 +E e- 1 0 0 +F F- 0 18.9984 18.9984 +Fe Fe+2 0 55.847 55.847 +Fe(+2) Fe+2 0 55.847 +Fe(+3) Fe+3 -2 55.847 +Fulvate Fulvate-2 0 650 650 +H H+ -1 1.008 1.008 +H(0) H2 0 1.008 +H(1) H+ -1 1.008 +Humate Humate-2 0 2000 2000 +I I- 0 126.9044 126.9044 +K K+ 0 39.102 39.102 +Li Li+ 0 6.939 6.939 +Mg Mg+2 0 24.312 24.312 +Mn Mn+2 0 54.938 54.938 +Mn(2) Mn+2 0 54.938 +Mn(3) Mn+3 0 54.938 +Mn(6) MnO4-2 0 54.938 +Mn(7) MnO4- 0 54.938 +N NO3- 0 14.0067 14.0067 +N(-3) NH4+ 0 14.0067 +N(0) N2 0 14.0067 +N(+3) NO2- 0 14.0067 +N(+5) NO3- 0 14.0067 +Na Na+ 0 22.9898 22.9898 +Ni Ni+2 0 58.71 58.71 +O H2O 0 16 16 +O(-2) H2O 0 18.016 +O(0) O2 0 16 +P PO4-3 2 30.9738 30.9738 +Pb Pb+2 0 207.19 207.19 +Rb Rb+ 0 85.47 85.47 +S SO4-2 0 96.0616 32.064 +S(-2) H2S 0 32.064 +S(6) SO4-2 0 96.0616 +Se SeO4-2 0 78.96 78.96 +Se(-2) HSe- 0 78.96 +Se(4) SeO3-2 0 78.96 +Se(6) SeO4-2 0 78.96 +Si H4SiO4 0 60.0843 28.0843 +Sr Sr+2 0 87.62 87.62 +Zn Zn+2 0 65.37 65.37 +U UO2+2 0 238.029 238.029 +U(3) U+3 0 238.029 238.029 +U(4) U+4 0 238.029 238.029 +U(5) UO2+ 0 238.029 238.029 +U(6) UO2+2 0 238.029 238.029 SOLUTION_SPECIES #H+ primary master species H+ = H+ - log_k 0.0 - -gamma 9.0 0.0 + log_k 0 + -gamma 9 0 #e- primary master species e- = e- - log_k 0.0 + log_k 0 #H2O primary master species H2O = H2O - log_k 0.0 + log_k 0 #Ag+ primary master species Ag+ = Ag+ - log_k 0.0 + log_k 0 #Al+3 primary master species Al+3 = Al+3 - log_k 0.0 - -gamma 9.0 0.0 + log_k 0 + -gamma 9 0 #H3AsO4 primary master species H3AsO4 = H3AsO4 - log_k 0.0 + log_k 0 #H3BO3 primary master species H3BO3 = H3BO3 - log_k 0.0 + log_k 0 #Ba+2 primary master species Ba+2 = Ba+2 - log_k 0.0 - -gamma 5.0 0.0 + log_k 0 + -gamma 5 0 #Br- primary master species Br- = Br- - log_k 0.0 + log_k 0 #CO3-2 primary master species CO3-2 = CO3-2 - log_k 0.0 - -gamma 5.4 0.0 + log_k 0 + -gamma 5.4 0 #Ca+2 primary master species Ca+2 = Ca+2 - log_k 0.0 - -gamma 5.0 0.165 + log_k 0 + -gamma 5 0.165 #Cd+2 primary master species Cd+2 = Cd+2 - log_k 0.0 + log_k 0 #Cl- primary master species Cl- = Cl- - log_k 0.0 - -gamma 3.5 0.015 + log_k 0 + -gamma 3.5 0.015 #Cs+ primary master species Cs+ = Cs+ - log_k 0.0 + log_k 0 #Cu+2 primary master species Cu+2 = Cu+2 - log_k 0.0 - -gamma 6.0 0.0 + log_k 0 + -gamma 6 0 #F- primary master species F- = F- - log_k 0.0 - -gamma 3.5 0.0 + log_k 0 + -gamma 3.5 0 #Fe+2 primary master species Fe+2 = Fe+2 - log_k 0.0 - -gamma 6.0 0.0 - + log_k 0 + -gamma 6 0 + #Fulvate-2 primary master species Fulvate-2 = Fulvate-2 - log_k 0.0 + log_k 0 #Humate-2 primary master species Humate-2 = Humate-2 - log_k 0.0 + log_k 0 #I- primary master species I- = I- - log_k 0.0 + log_k 0 #K+ primary master species K+ = K+ - log_k 0.0 - -gamma 3.5 0.015 + log_k 0 + -gamma 3.5 0.015 #Li+ primary master species Li+ = Li+ - log_k 0.0 - -gamma 6.0 0.0 + log_k 0 + -gamma 6 0 #Mg+2 primary master species Mg+2 = Mg+2 - log_k 0.0 - -gamma 5.5 0.200 + log_k 0 + -gamma 5.5 0.2 #Mn+2 primary master species Mn+2 = Mn+2 - log_k 0.0 - -gamma 6.0 0.0 + log_k 0 + -gamma 6 0 #NO3- primary master species NO3- = NO3- - log_k 0.0 - -gamma 3.0 0.0 + log_k 0 + -gamma 3 0 #Na+ primary master species Na+ = Na+ - log_k 0.0 - -gamma 4.0 0.075 + log_k 0 + -gamma 4 0.075 #Ni+2 primary master species Ni+2 = Ni+2 - log_k 0.0 + log_k 0 #PO4-3 primary master species PO4-3 = PO4-3 - log_k 0.0 - -gamma 5.0 0.0 + log_k 0 + -gamma 5 0 #Pb+2 primary master species Pb+2 = Pb+2 - log_k 0.0 + log_k 0 #Rb+ primary master species Rb+ = Rb+ - log_k 0.0 + log_k 0 #SO4-2 primary master species SO4-2 = SO4-2 - log_k 0.0 - -gamma 5.0 -0.040 + log_k 0 + -gamma 5 -0.04 #SeO4-2 primary master species SeO4-2 = SeO4-2 - log_k 0.0 + log_k 0 #H4SiO4 primary master species H4SiO4 = H4SiO4 - log_k 0.0 + log_k 0 #Sr+2 primary master species Sr+2 = Sr+2 - log_k 0.0 - -gamma 5.26 0.121 + log_k 0 + -gamma 5.26 0.121 #UO2+2 primary master species UO2+2 = UO2+2 - log_k 0.0 + log_k 0 #Zn+2 primary master species Zn+2 = Zn+2 - log_k 0.0 - -gamma 6.0 0.0 + log_k 0 + -gamma 6 0 #Fe+3 secondary master species 0 - Fe+2 = Fe+3 + e- - log_k -13.020 - delta_h 9.680 kcal - -gamma 9.0 0.0 + Fe+2 = Fe+3 + e- + log_k -13.02 + delta_h 9.68 kcal + -gamma 9 0 #FeOH+2 1 - Fe+3 + H2O = FeOH+2 + H+ - log_k -2.19 + Fe+3 + H2O = FeOH+2 + H+ + log_k -2.19 delta_h 10.4 kcal - -gamma 5.0 0.0 + -gamma 5 0 #FeOH+ 2 - Fe+2 + H2O = FeOH+ + H+ - log_k -9.5 + Fe+2 + H2O = FeOH+ + H+ + log_k -9.5 delta_h 13.2 kcal - -gamma 5.0 0.0 + -gamma 5 0 #Fe(OH)3- 3 - Fe+2 + 3H2O = Fe(OH)3- + 3H+ - log_k -31.0 + Fe+2 + 3 H2O = Fe(OH)3- + 3 H+ + log_k -31 delta_h 30.3 kcal - -gamma 5.0 0.0 + -gamma 5 0 #FeSO4+ 4 - Fe+3 + SO4-2 = FeSO4+ - log_k 4.04 + Fe+3 + SO4-2 = FeSO4+ + log_k 4.04 delta_h 3.91 kcal - -gamma 5.0 0.0 + -gamma 5 0 #FeCl+2 5 - Fe+3 + Cl- = FeCl+2 - log_k 1.48 + Fe+3 + Cl- = FeCl+2 + log_k 1.48 delta_h 5.6 kcal - -gamma 5.0 0.0 + -gamma 5 0 #FeCl2+ 6 - Fe+3 + 2Cl- = FeCl2+ - log_k 2.13 + Fe+3 + 2 Cl- = FeCl2+ + log_k 2.13 #FeCl3 7 - Fe+3 + 3Cl- = FeCl3 - log_k 1.13 + Fe+3 + 3 Cl- = FeCl3 + log_k 1.13 #FeSO4 8 - Fe+2 + SO4-2 = FeSO4 - log_k 2.25 + Fe+2 + SO4-2 = FeSO4 + log_k 2.25 delta_h 3.23 kcal #H3SiO4- 13 - H4SiO4 = H3SiO4- + H+ - log_k -9.83 + H4SiO4 = H3SiO4- + H+ + log_k -9.83 delta_h 6.12 kcal - -analytical -302.3724 -0.050698 15669.69 108.18466 -1119669.0 - -gamma 4.0 0.0 + -analytical -302.3724 -0.050698 15669.69 108.18466 -1119669 + -gamma 4 0 #H2SiO4-2 14 - H4SiO4 = H2SiO4-2 + 2H+ - log_k -23.0 + H4SiO4 = H2SiO4-2 + 2 H+ + log_k -23 delta_h 17.6 kcal - -analytical -294.0184 -0.07265 11204.49 108.18466 -1119669.0 - -gamma 5.4 0.0 + -analytical -294.0184 -0.07265 11204.49 108.18466 -1119669 + -gamma 5.4 0 #HPO4-2 15 H+ + PO4-3 = HPO4-2 - log_k 12.346 + log_k 12.346 delta_h -3.53 kcal - -gamma 5.0 0.0 + -gamma 5 0 #H2PO4- 16 - 2H+ + PO4-3 = H2PO4- - log_k 19.553 + 2 H+ + PO4-3 = H2PO4- + log_k 19.553 delta_h -4.52 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #MgF+ 22 - Mg+2 + F- = MgF+ - log_k 1.82 + Mg+2 + F- = MgF+ + log_k 1.82 delta_h 3.2 kcal - -gamma 4.5 0.0 + -gamma 4.5 0 #CaSO4 23 - Ca+2 + SO4-2 = CaSO4 - log_k 2.3 + Ca+2 + SO4-2 = CaSO4 + log_k 2.3 delta_h 1.65 kcal #MgOH+ 24 - Mg+2 + H2O = MgOH+ + H+ - log_k -11.44 + Mg+2 + H2O = MgOH+ + H+ + log_k -11.44 delta_h 15.952 kcal - -gamma 6.5 0.0 + -gamma 6.5 0 #H3BO3 25 H3BO3 = H2BO3- + H+ - log_k -9.24 + log_k -9.24 delta_h 3.224 kcal # -analytical 24.3919 0.012078 -1343.9 -13.2258 - -gamma 2.5 0.0 + -gamma 2.5 0 #NH3 26 - NH4+ = NH3 + H+ - log_k -9.252 + NH4+ = NH3 + H+ + log_k -9.252 delta_h 12.48 kcal - -analytic 0.6322 -0.001225 -2835.76 - -gamma 2.5 0.0 + -analytic 0.6322 -0.001225 -2835.76 + -gamma 2.5 0 #NaHPO4- 30 Na+ + HPO4-2 = NaHPO4- - log_k 0.29 - -gamma 5.4 0.0 + log_k 0.29 + -gamma 5.4 0 #KHPO4- 32 K+ + HPO4-2 = KHPO4- - log_k 0.29 - -gamma 5.4 0.0 + log_k 0.29 + -gamma 5.4 0 #MgHPO4 33 - Mg+2 + HPO4-2 = MgHPO4 - log_k 2.87 + Mg+2 + HPO4-2 = MgHPO4 + log_k 2.87 delta_h 3.3 kcal #CaHPO4 34 - Ca+2 + HPO4-2 = CaHPO4 - log_k 2.739 + Ca+2 + HPO4-2 = CaHPO4 + log_k 2.739 delta_h 3.3 kcal #CH4 secondary master species CO3-2 + 10 H+ + 8 e- = CH4 + 3 H2O - log_k 41.071 - delta_h -61.039 kcal + log_k 41.071 + delta_h -61.039 kcal #H2CO3 35 -# HCO3- + H+ = H2CO3 +# HCO3- + H+ = H2CO3 # log_k 6.351 # delta_h -2.247 kcal # -analytical 356.3094 0.06091960 -21834.37 -126.8339 1684915.0 #CO2 could be used instead of H2CO3 CO3-2 + 2 H+ = CO2 + H2O - log_k 16.681 + log_k 16.681 delta_h -5.738 kcal - -analytical 464.1965 0.09344813 -26986.16 -165.75951 2248628.9 + -analytical 464.1965 0.09344813 -26986.16 -165.75951 2248628.9 #HCO3- 68 - H+ + CO3-2 = HCO3- - log_k 10.329 + H+ + CO3-2 = HCO3- + log_k 10.329 delta_h -3.561 kcal - -analytical 107.8871 0.03252849 -5151.79 -38.92561 563713.9 - -gamma 5.4 0.0 + -analytical 107.8871 0.03252849 -5151.79 -38.92561 563713.9 + -gamma 5.4 0 #NaCO3- 69 - Na+ + CO3-2 = NaCO3- - log_k 1.27 + Na+ + CO3-2 = NaCO3- + log_k 1.27 delta_h 8.91 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #NaHCO3 70 - Na+ + HCO3- = NaHCO3 - log_k -0.25 + Na+ + HCO3- = NaHCO3 + log_k -0.25 #NaSO4- 71 Na+ + SO4-2 = NaSO4- - log_k 0.7 + log_k 0.7 delta_h 1.12 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #KSO4- 72 K+ + SO4-2 = KSO4- - log_k 0.85 + log_k 0.85 delta_h 2.25 kcal - -analytical 3.106 0.0 -673.6 - -gamma 5.4 0.0 + -analytical 3.106 0 -673.6 + -gamma 5.4 0 #MgCO3 73 - Mg+2 + CO3-2 = MgCO3 - log_k 2.98 + Mg+2 + CO3-2 = MgCO3 + log_k 2.98 delta_h 2.713 kcal - -analytical 0.9910 0.00667 + -analytical 0.991 0.00667 #MgHCO3+ 74 Mg+2 + HCO3- = MgHCO3+ - log_k 1.07 + log_k 1.07 delta_h 0.79 kcal - -analytical -59.215 0.0 2537.455 20.92298 0.0 - -gamma 4.0 0.0 + -analytical -59.215 0 2537.455 20.92298 0 + -gamma 4 0 #MgSO4 75 - Mg+2 + SO4-2 = MgSO4 - log_k 2.37 + Mg+2 + SO4-2 = MgSO4 + log_k 2.37 delta_h 4.55 kcal #CaOH+ 76 - Ca+2 + H2O = CaOH+ + H+ - log_k -12.78 - -gamma 6.0 0.0 + Ca+2 + H2O = CaOH+ + H+ + log_k -12.78 + -gamma 6 0 #CaHCO3+ 77 Ca+2 + HCO3- = CaHCO3+ - log_k 1.106 + log_k 1.106 delta_h 2.69 kcal - -analytical 1209.12 0.31294 -34765.05 -478.782 0.0 - -gamma 6.0 0.0 + -analytical 1209.12 0.31294 -34765.05 -478.782 0 + -gamma 6 0 #CaCO3 78 - Ca+2 + CO3-2 = CaCO3 - log_k 3.224 + Ca+2 + CO3-2 = CaCO3 + log_k 3.224 delta_h 3.545 kcal - -analytical -1228.732 -0.299444 35512.75 485.818 0.0 + -analytical -1228.732 -0.299444 35512.75 485.818 0 #SrHCO3+ 79 - Sr+2 + HCO3- = SrHCO3+ - log_k 1.18 + Sr+2 + HCO3- = SrHCO3+ + log_k 1.18 delta_h 6.05 kcal - -analytical -3.248 0.014867 0.0 0.0 0.0 - -gamma 5.4 0.0 + -analytical -3.248 0.014867 0 0 0 + -gamma 5.4 0 #AlOH+2 80 - Al+3 + H2O = AlOH+2 + H+ - log_k -5.0 + Al+3 + H2O = AlOH+2 + H+ + log_k -5 delta_h 11.49 kcal - -analytical -38.253 0.0 -656.27 14.327 0.0 - -gamma 5.4 0.0 + -analytical -38.253 0 -656.27 14.327 0 + -gamma 5.4 0 #Al(OH)2+ 81 - Al+3 + 2H2O = Al(OH)2+ + 2H+ - log_k -10.1 + Al+3 + 2 H2O = Al(OH)2+ + 2 H+ + log_k -10.1 delta_h 26.9 kcal - -analytical 88.5 0.0 -9391.6 -27.121 0.0 - -gamma 5.4 0.0 + -analytical 88.5 0 -9391.6 -27.121 0 + -gamma 5.4 0 #Al(OH)3 336 - Al+3 + 3H2O = Al(OH)3 + 3H+ - log_k -16.9 + Al+3 + 3 H2O = Al(OH)3 + 3 H+ + log_k -16.9 delta_h 39.89 kcal - -analytical 226.374 0.0 -18247.8 -73.597 0.0 + -analytical 226.374 0 -18247.8 -73.597 0 #Al(OH)4- 82 - Al+3 + 4H2O = Al(OH)4- + 4H+ - log_k -22.7 + Al+3 + 4 H2O = Al(OH)4- + 4 H+ + log_k -22.7 delta_h 42.3 kcal - -analytical 51.578 0.0 -11168.9 -14.865 0.0 - -gamma 4.5 0.0 + -analytical 51.578 0 -11168.9 -14.865 0 + -gamma 4.5 0 #AlF+2 83 - Al+3 + F- = AlF+2 - log_k 7.0 + Al+3 + F- = AlF+2 + log_k 7 delta_h 1.06 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #AlF2+ 84 - Al+3 + 2F- = AlF2+ - log_k 12.7 + Al+3 + 2 F- = AlF2+ + log_k 12.7 delta_h 1.98 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #AlF3 85 - Al+3 + 3F- = AlF3 - log_k 16.8 + Al+3 + 3 F- = AlF3 + log_k 16.8 delta_h 2.16 kcal #AlF4- 86 - Al+3 + 4F- = AlF4- - log_k 19.4 + Al+3 + 4 F- = AlF4- + log_k 19.4 delta_h 2.2 kcal - -gamma 4.5 0.0 + -gamma 4.5 0 #AlSO4+ 87 Al+3 + SO4-2 = AlSO4+ - log_k 3.5 + log_k 3.5 delta_h 2.29 kcal - -gamma 4.5 0.0 + -gamma 4.5 0 #Al(SO4)2- 88 - Al+3 + 2SO4-2 = Al(SO4)2- - log_k 5.0 + Al+3 + 2 SO4-2 = Al(SO4)2- + log_k 5 delta_h 3.11 kcal - -gamma 4.5 0.0 + -gamma 4.5 0 #HSO4- 89 - H+ + SO4-2 = HSO4- - log_k 1.988 + H+ + SO4-2 = HSO4- + log_k 1.988 delta_h 3.85 kcal - -analytical -56.889 0.006473 2307.9 19.8858 0.0 - -gamma 4.5 0.0 + -analytical -56.889 0.006473 2307.9 19.8858 0 + -gamma 4.5 0 #H2S secondary master species 90 - SO4-2 + 10H+ + 8e- = H2S + 4H2O - log_k 40.644 + SO4-2 + 10 H+ + 8 e- = H2S + 4 H2O + log_k 40.644 delta_h -65.44 kcal #HS- 91 - H2S = HS- + H+ - log_k -6.994 + H2S = HS- + H+ + log_k -6.994 delta_h 5.3 kcal - -analytical 11.17 -0.02386 -3279.0 - -gamma 3.5 0.0 + -analytical 11.17 -0.02386 -3279 + -gamma 3.5 0 #S-2 92 - HS- = S-2 + H+ - log_k -12.918 + HS- = S-2 + H+ + log_k -12.918 delta_h 12.1 kcal - -gamma 5.0 0.0 + -gamma 5 0 #oxy 93 -# 0.5H2O = 0.25O2 + H+ + e- +# 0.5H2O = 0.25O2 + H+ + e- # log_k -20.780 # delta_h 34.157000 kcal #O2 secondary master species - 2H2O = O2 + 4H+ + 4e- - log_k -86.08 + 2 H2O = O2 + 4 H+ + 4 e- + log_k -86.08 delta_h 134.79 kcal #H2 secondary master species 2 H+ + 2 e- = H2 - log_k -3.15 + log_k -3.15 delta_h -1.759 kcal #Fe(OH)2+ 102 - Fe+3 + 2H2O = Fe(OH)2+ + 2H+ - log_k -5.67 + Fe+3 + 2 H2O = Fe(OH)2+ + 2 H+ + log_k -5.67 delta_h 17.1 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #Fe(OH)3 103 - Fe+3 + 3H2O = Fe(OH)3 + 3H+ - log_k -12.56 + Fe+3 + 3 H2O = Fe(OH)3 + 3 H+ + log_k -12.56 delta_h 24.8 kcal #Fe(OH)4- 104 - Fe+3 + 4H2O = Fe(OH)4- + 4H+ - log_k -21.6 + Fe+3 + 4 H2O = Fe(OH)4- + 4 H+ + log_k -21.6 delta_h 31.9 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #Fe(OH)2 105 - Fe+2 + 2H2O = Fe(OH)2 + 2H+ - log_k -20.57 + Fe+2 + 2 H2O = Fe(OH)2 + 2 H+ + log_k -20.57 delta_h 28.565 kcal #FeH2PO4+ 120 - Fe+2 + H2PO4- = FeH2PO4+ - log_k 2.7 - -gamma 5.4 0.0 + Fe+2 + H2PO4- = FeH2PO4+ + log_k 2.7 + -gamma 5.4 0 #CaPO4- 121 Ca+2 + PO4-3 = CaPO4- - log_k 6.459 + log_k 6.459 delta_h 3.1 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #CaH2PO4+ 122 Ca+2 + H2PO4- = CaH2PO4+ - log_k 1.408 + log_k 1.408 delta_h 3.4 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #MgPO4- 123 Mg+2 + PO4-3 = MgPO4- - log_k 6.589 + log_k 6.589 delta_h 3.1 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #MgH2PO4+ 124 Mg+2 + H2PO4- = MgH2PO4+ - log_k 1.513 + log_k 1.513 delta_h 3.4 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #LiSO4- 126 Li+ + SO4-2 = LiSO4- - log_k 0.64 - -gamma 5.0 0.0 + log_k 0.64 + -gamma 5 0 #N2 secondary master species 2 NO3- + 12 H+ + 10 e- = N2 + 6 H2O - log_k 207.080 - delta_h -312.130 kcal + log_k 207.08 + delta_h -312.13 kcal #NH4 secondary master species 127 - NO3- + 10H+ + 8e- = NH4+ + 3H2O - log_k 119.077 + NO3- + 10 H+ + 8 e- = NH4+ + 3 H2O + log_k 119.077 delta_h -187.055 kcal #SrOH+ 129 - Sr+2 + H2O = SrOH+ + H+ - log_k -13.29 - -gamma 5.0 0.0 + Sr+2 + H2O = SrOH+ + H+ + log_k -13.29 + -gamma 5 0 #BaOH+ 130 - Ba+2 + H2O = BaOH+ + H+ - log_k -13.47 - -gamma 5.0 0.0 + Ba+2 + H2O = BaOH+ + H+ + log_k -13.47 + -gamma 5 0 #NH4SO4- 131 - NH4+ + SO4-2 = NH4SO4- - log_k 1.11 - -gamma 5.0 0.0 + NH4+ + SO4-2 = NH4SO4- + log_k 1.11 + -gamma 5 0 #SrCO3 135 - Sr+2 + CO3-2 = SrCO3 - log_k 2.81 + Sr+2 + CO3-2 = SrCO3 + log_k 2.81 delta_h 5.22 kcal - -analytical -1.019 0.012826 0.0 0.0 0.0 - -gamma 5.0 0.0 + -analytical -1.019 0.012826 0 0 0 + -gamma 5 0 #O2Sato 136 -# 0.5H2O = 0.25O2(aq) + H+ + e- +# 0.5H2O = 0.25O2(aq) + H+ + e- # log_k -11.385 #CO2 137 -# CO2 (g) + H2O = H2CO3 +# CO2 (g) + H2O = H2CO3 # -1.468 -4.776 108.38650 0.01985076 -6919.530 -40.45154 -669365.0 #FeHPO4 138 Fe+2 + HPO4-2 = FeHPO4 - log_k 3.6 + log_k 3.6 #FeHPO4+ 139 - Fe+3 + HPO4-2 = FeHPO4+ - log_k 5.43 + Fe+3 + HPO4-2 = FeHPO4+ + log_k 5.43 delta_h 5.76 kcal - -gamma 5.5 0.0 + -gamma 5.5 0 #FeHSO4+ 148 Fe+2 + HSO4- = FeHSO4+ - log_k 1.08 + log_k 1.08 #O2calc 151 -# 0.5H2O = 0.25O2(aq) + H+ + e- +# 0.5H2O = 0.25O2(aq) + H+ + e- # log_k -20.780 # delta_h 33.457 kcal #OH- 152 - H2O = OH- + H+ - log_k -14.0 + H2O = OH- + H+ + log_k -14 delta_h 13.362 kcal - -analytical -283.971 -0.05069842 13323.0 102.24447 -1119669.0 - -gamma 3.5 0.0 + -analytical -283.971 -0.05069842 13323 102.24447 -1119669 + -gamma 3.5 0 #FeH2PO4+2 156 Fe+3 + H2PO4- = FeH2PO4+2 - log_k 5.43 - -gamma 5.4 0.0 + log_k 5.43 + -gamma 5.4 0 #FeHSO4+2 159 - Fe+3 + HSO4- = FeHSO4+2 - log_k 2.48 + Fe+3 + HSO4- = FeHSO4+2 + log_k 2.48 #CaF+ 160 - Ca+2 + F- = CaF+ - log_k 0.94 + Ca+2 + F- = CaF+ + log_k 0.94 delta_h 4.12 kcal - -gamma 5.5 0.0 + -gamma 5.5 0 #BF(OH)3- 161 H3BO3 + F- = BF(OH)3- - log_k -0.4 + log_k -0.4 delta_h 1.85 kcal - -gamma 2.5 0.0 + -gamma 2.5 0 #BF2(OH)2- 162 - H3BO3 + H+ + 2F- = BF2(OH)2- + H2O - log_k 7.63 + H3BO3 + H+ + 2 F- = BF2(OH)2- + H2O + log_k 7.63 delta_h 1.618 kcal - -gamma 2.5 0.0 + -gamma 2.5 0 #BF3OH- 163 - H3BO3 + 2H+ + 3F- = BF3OH- + 2H2O - log_k 13.67 + H3BO3 + 2 H+ + 3 F- = BF3OH- + 2 H2O + log_k 13.67 delta_h -1.614 kcal - -gamma 2.5 0.0 + -gamma 2.5 0 #BF4- 164 - H3BO3 + 3H+ + 4F- = BF4- + 3H2O - log_k 20.28 + H3BO3 + 3 H+ + 4 F- = BF4- + 3 H2O + log_k 20.28 delta_h -1.846 kcal - -gamma 2.5 0.0 + -gamma 2.5 0 #FeF+2 165 - Fe+3 + F- = FeF+2 - log_k 6.2 + Fe+3 + F- = FeF+2 + log_k 6.2 delta_h 2.7 kcal - -gamma 5.0 0.0 + -gamma 5 0 #FeF2+ 166 - Fe+3 + 2F- = FeF2+ - log_k 10.8 + Fe+3 + 2 F- = FeF2+ + log_k 10.8 delta_h 4.8 kcal - -gamma 5.0 0.0 + -gamma 5 0 #FeF3 167 - Fe+3 + 3F- = FeF3 - log_k 14.0 + Fe+3 + 3 F- = FeF3 + log_k 14 delta_h 5.4 kcal #CaHSO4+ 168 - Ca+2 + HSO4- = CaHSO4+ - log_k 1.08 + Ca+2 + HSO4- = CaHSO4+ + log_k 1.08 #Mn+3 secondary master species 169 - Mn+2 = Mn+3 + e- - log_k -25.51 + Mn+2 = Mn+3 + e- + log_k -25.51 delta_h 25.8 kcal - -gamma 9.0 0.0 + -gamma 9 0 #MnCl+ 170 - Mn+2 + Cl- = MnCl+ - log_k 0.61 - -gamma 5.0 0.0 + Mn+2 + Cl- = MnCl+ + log_k 0.61 + -gamma 5 0 #MnCl2 171 - Mn+2 + 2Cl- = MnCl2 - log_k 0.25 + Mn+2 + 2 Cl- = MnCl2 + log_k 0.25 #MnCl3- 172 - Mn+2 + 3Cl- = MnCl3- - log_k -0.31 - -gamma 5.0 0.0 + Mn+2 + 3 Cl- = MnCl3- + log_k -0.31 + -gamma 5 0 #MnOH+ 173 - Mn+2 + H2O = MnOH+ + H+ - log_k -10.59 + Mn+2 + H2O = MnOH+ + H+ + log_k -10.59 delta_h 14.4 kcal - -gamma 5.0 0.0 + -gamma 5 0 #Mn(OH)3- 174 - Mn+2 + 3H2O = Mn(OH)3- + 3H+ - log_k -34.8 - -gamma 5.0 0.0 + Mn+2 + 3 H2O = Mn(OH)3- + 3 H+ + log_k -34.8 + -gamma 5 0 #MnF+ 175 - Mn+2 + F- = MnF+ - log_k 0.84 - -gamma 5.0 0.0 + Mn+2 + F- = MnF+ + log_k 0.84 + -gamma 5 0 #MnSO4 176 - Mn+2 + SO4-2 = MnSO4 - log_k 2.25 + Mn+2 + SO4-2 = MnSO4 + log_k 2.25 delta_h 3.37 kcal #Mn(NO3)2 177 - Mn+2 + 2NO3- = Mn(NO3)2 - log_k 0.6 + Mn+2 + 2 NO3- = Mn(NO3)2 + log_k 0.6 delta_h -0.396 kcal #MnHCO3+ 178 Mn+2 + HCO3- = MnHCO3+ - log_k 1.95 - -gamma 5.0 0.0 + log_k 1.95 + -gamma 5 0 #MnO4- secondary master species 179 - Mn+2 + 4H2O = MnO4- + 8H+ + 5e- - log_k -127.824 + Mn+2 + 4 H2O = MnO4- + 8 H+ + 5 e- + log_k -127.824 delta_h 176.62 kcal - -gamma 3.0 0.0 + -gamma 3 0 #MnO4-2 secondary master species 180 - Mn+2 + 4H2O = MnO4-2 + 8H+ + 4e- - log_k -118.44 + Mn+2 + 4 H2O = MnO4-2 + 8 H+ + 4 e- + log_k -118.44 delta_h 150.02 kcal - -gamma 5.0 0.0 + -gamma 5 0 #SiF6-2 201 - H4SiO4 + 4H+ + 6F- = SiF6-2 + 4H2O - log_k 30.18 + H4SiO4 + 4 H+ + 6 F- = SiF6-2 + 4 H2O + log_k 30.18 delta_h -16.26 kcal - -gamma 5.0 0.0 + -gamma 5 0 #HF 202 - H+ + F- = HF - log_k 3.18 + H+ + F- = HF + log_k 3.18 delta_h 3.18 kcal - -analytical -2.033 0.012645 429.01 0.0 0.0 + -analytical -2.033 0.012645 429.01 0 0 #HF2- 203 - H+ + 2F- = HF2- - log_k 3.76 + H+ + 2 F- = HF2- + log_k 3.76 delta_h 4.55 kcal - -gamma 3.5 0.0 + -gamma 3.5 0 #CuCl2- 206 # Cu+2 + 2Cl- + e- = CuCl2- # log_k 8.220 # delta_h 1.230 kcal - Cu+ + 2Cl- = CuCl2- - log_k 5.50 + Cu+ + 2 Cl- = CuCl2- + log_k 5.5 delta_h -0.42 kcal - -gamma 4.0 0.0 + -gamma 4 0 #CuCl3-2 207 -# Cu+2 + 3Cl- + e- = CuCl3-2 +# Cu+2 + 3Cl- + e- = CuCl3-2 # log_k 8.420 # delta_h 1.910 kcal - Cu+ + 3Cl- = CuCl3-2 - log_k 5.70 + Cu+ + 3 Cl- = CuCl3-2 + log_k 5.7 delta_h 0.26 kcal - -gamma 5.0 0.0 + -gamma 5 0 #Cu+ secondary master species 208 - Cu+2 + e- = Cu+ - log_k 2.72 + Cu+2 + e- = Cu+ + log_k 2.72 delta_h 1.65 kcal - -gamma 2.5 0.0 + -gamma 2.5 0 #CuCO3 209 - Cu+2 + CO3-2 = CuCO3 - log_k 6.73 + Cu+2 + CO3-2 = CuCO3 + log_k 6.73 #Cu(CO3)2-2 210 - Cu+2 + 2CO3-2 = Cu(CO3)2-2 - log_k 9.83 + Cu+2 + 2 CO3-2 = Cu(CO3)2-2 + log_k 9.83 #CuCl+ 211 - Cu+2 + Cl- = CuCl+ - log_k 0.43 + Cu+2 + Cl- = CuCl+ + log_k 0.43 delta_h 8.65 kcal - -gamma 4.0 0.0 + -gamma 4 0 #CuCl2 212 - Cu+2 + 2Cl- = CuCl2 - log_k 0.16 + Cu+2 + 2 Cl- = CuCl2 + log_k 0.16 delta_h 10.56 kcal #CuCl3- 213 - Cu+2 + 3Cl- = CuCl3- - log_k -2.29 + Cu+2 + 3 Cl- = CuCl3- + log_k -2.29 delta_h 13.69 kcal - -gamma 4.0 0.0 + -gamma 4 0 #CuCl4-2 214 - Cu+2 + 4Cl- = CuCl4-2 - log_k -4.59 + Cu+2 + 4 Cl- = CuCl4-2 + log_k -4.59 delta_h 17.78 kcal - -gamma 5.0 0.0 + -gamma 5 0 #CuF+ 215 - Cu+2 + F- = CuF+ - log_k 1.26 + Cu+2 + F- = CuF+ + log_k 1.26 delta_h 1.62 kcal #CuOH+ 216 - Cu+2 + H2O = CuOH+ + H+ - log_k -8.0 - -gamma 4.0 0.0 + Cu+2 + H2O = CuOH+ + H+ + log_k -8 + -gamma 4 0 #Cu(OH)2 217 - Cu+2 + 2H2O = Cu(OH)2 + 2H+ - log_k -13.68 + Cu+2 + 2 H2O = Cu(OH)2 + 2 H+ + log_k -13.68 #Cu(OH)3- 218 - Cu+2 + 3H2O = Cu(OH)3- + 3H+ - log_k -26.9 + Cu+2 + 3 H2O = Cu(OH)3- + 3 H+ + log_k -26.9 #Cu(OH)4-2 219 - Cu+2 + 4H2O = Cu(OH)4-2 + 4H+ - log_k -39.6 + Cu+2 + 4 H2O = Cu(OH)4-2 + 4 H+ + log_k -39.6 #Cu2(OH)2+2 220 - 2Cu+2 + 2H2O = Cu2(OH)2+2 + 2H+ - log_k -10.359 + 2 Cu+2 + 2 H2O = Cu2(OH)2+2 + 2 H+ + log_k -10.359 delta_h 17.539 kcal - -analytical 2.497 0.0 -3833.0 0.0 0.0 + -analytical 2.497 0 -3833 0 0 #CuSO4 221 - Cu+2 + SO4-2 = CuSO4 - log_k 2.31 + Cu+2 + SO4-2 = CuSO4 + log_k 2.31 delta_h 1.22 kcal #Cu(HS)3- 222 - Cu+2 + 3HS- = Cu(HS)3- - log_k 25.9 + Cu+2 + 3 HS- = Cu(HS)3- + log_k 25.9 #ZnCl+ 251 - Zn+2 + Cl- = ZnCl+ - log_k 0.43 + Zn+2 + Cl- = ZnCl+ + log_k 0.43 delta_h 7.79 kcal - -gamma 4.0 0.0 + -gamma 4 0 #ZnCl2 252 - Zn+2 + 2Cl- = ZnCl2 - log_k 0.45 + Zn+2 + 2 Cl- = ZnCl2 + log_k 0.45 delta_h 8.5 kcal #ZnCl3- 253 - Zn+2 + 3Cl- = ZnCl3- - log_k 0.5 + Zn+2 + 3 Cl- = ZnCl3- + log_k 0.5 delta_h 9.56 kcal - -gamma 4.0 0.0 + -gamma 4 0 #ZnCl4-2 254 - Zn+2 + 4Cl- = ZnCl4-2 - log_k 0.2 + Zn+2 + 4 Cl- = ZnCl4-2 + log_k 0.2 delta_h 10.96 kcal - -gamma 5.0 0.0 + -gamma 5 0 #ZnF+ 255 - Zn+2 + F- = ZnF+ - log_k 1.15 + Zn+2 + F- = ZnF+ + log_k 1.15 delta_h 2.22 kcal #ZnOH+ 256 - Zn+2 + H2O = ZnOH+ + H+ - log_k -8.96 + Zn+2 + H2O = ZnOH+ + H+ + log_k -8.96 delta_h 13.4 kcal #Zn(OH)2 257 - Zn+2 + 2H2O = Zn(OH)2 + 2H+ - log_k -16.9 + Zn+2 + 2 H2O = Zn(OH)2 + 2 H+ + log_k -16.9 #Zn(OH)3- 258 - Zn+2 + 3H2O = Zn(OH)3- + 3H+ - log_k -28.4 + Zn+2 + 3 H2O = Zn(OH)3- + 3 H+ + log_k -28.4 #Zn(OH)4-2 259 - Zn+2 + 4H2O = Zn(OH)4-2 + 4H+ - log_k -41.2 + Zn+2 + 4 H2O = Zn(OH)4-2 + 4 H+ + log_k -41.2 #ZnOHCl 260 - Zn+2 + H2O + Cl- = ZnOHCl + H+ - log_k -7.48 + Zn+2 + H2O + Cl- = ZnOHCl + H+ + log_k -7.48 #Zn(HS)2 261 - Zn+2 + 2HS- = Zn(HS)2 - log_k 14.94 + Zn+2 + 2 HS- = Zn(HS)2 + log_k 14.94 #Zn(HS)3- 262 - Zn+2 + 3HS- = Zn(HS)3- - log_k 16.1 + Zn+2 + 3 HS- = Zn(HS)3- + log_k 16.1 #ZnSO4 263 - Zn+2 + SO4-2 = ZnSO4 - log_k 2.37 + Zn+2 + SO4-2 = ZnSO4 + log_k 2.37 delta_h 1.36 kcal #Zn(SO4)2-2 264 - Zn+2 + 2SO4-2 = Zn(SO4)2-2 - log_k 3.28 + Zn+2 + 2 SO4-2 = Zn(SO4)2-2 + log_k 3.28 #CdCl+ 294 - Cd+2 + Cl- = CdCl+ - log_k 1.98 + Cd+2 + Cl- = CdCl+ + log_k 1.98 delta_h 0.59 kcal #CdCl2 295 - Cd+2 + 2Cl- = CdCl2 - log_k 2.6 + Cd+2 + 2 Cl- = CdCl2 + log_k 2.6 delta_h 1.24 kcal #CdCl3- 296 - Cd+2 + 3Cl- = CdCl3- - log_k 2.4 + Cd+2 + 3 Cl- = CdCl3- + log_k 2.4 delta_h 3.9 kcal #CdF+ 297 - Cd+2 + F- = CdF+ - log_k 1.1 + Cd+2 + F- = CdF+ + log_k 1.1 #CdF2 298 - Cd+2 + 2F- = CdF2 - log_k 1.5 + Cd+2 + 2 F- = CdF2 + log_k 1.5 #Cd(CO3)2-2 299 - Cd+2 + 2CO3-2 = Cd(CO3)2-2 - log_k 6.4 + Cd+2 + 2 CO3-2 = Cd(CO3)2-2 + log_k 6.4 #CdOH+ 300 - Cd+2 + H2O = CdOH+ + H+ - log_k -10.08 + Cd+2 + H2O = CdOH+ + H+ + log_k -10.08 delta_h 13.1 kcal #Cd(OH)2 301 - Cd+2 + 2H2O = Cd(OH)2 + 2H+ - log_k -20.35 + Cd+2 + 2 H2O = Cd(OH)2 + 2 H+ + log_k -20.35 #Cd(OH)3- 302 - Cd+2 + 3H2O = Cd(OH)3- + 3H+ - log_k -33.3 + Cd+2 + 3 H2O = Cd(OH)3- + 3 H+ + log_k -33.3 #Cd(OH)4-2 303 - Cd+2 + 4H2O = Cd(OH)4-2 + 4H+ - log_k -47.35 + Cd+2 + 4 H2O = Cd(OH)4-2 + 4 H+ + log_k -47.35 #Cd2OH+3 304 - 2Cd+2 + H2O = Cd2OH+3 + H+ - log_k -9.39 + 2 Cd+2 + H2O = Cd2OH+3 + H+ + log_k -9.39 delta_h 10.9 kcal #CdOHCl 305 - Cd+2 + H2O + Cl- = CdOHCl + H+ - log_k -7.404 + Cd+2 + H2O + Cl- = CdOHCl + H+ + log_k -7.404 delta_h 4.355 kcal #CdNO3+ 306 Cd+2 + NO3- = CdNO3+ - log_k 0.4 + log_k 0.4 delta_h -5.2 kcal #CdSO4 307 - Cd+2 + SO4-2 = CdSO4 - log_k 2.46 + Cd+2 + SO4-2 = CdSO4 + log_k 2.46 delta_h 1.08 kcal #CdHS+ 308 - Cd+2 + HS- = CdHS+ - log_k 10.17 + Cd+2 + HS- = CdHS+ + log_k 10.17 #Cd(HS)2 309 - Cd+2 + 2HS- = Cd(HS)2 - log_k 16.53 + Cd+2 + 2 HS- = Cd(HS)2 + log_k 16.53 #Cd(HS)3- 310 - Cd+2 + 3HS- = Cd(HS)3- - log_k 18.71 + Cd+2 + 3 HS- = Cd(HS)3- + log_k 18.71 #Cd(HS)4-2 311 - Cd+2 + 4HS- = Cd(HS)4-2 - log_k 20.9 + Cd+2 + 4 HS- = Cd(HS)4-2 + log_k 20.9 #Fe(SO4)2- 333 - Fe+3 + 2SO4-2 = Fe(SO4)2- - log_k 5.38 + Fe+3 + 2 SO4-2 = Fe(SO4)2- + log_k 5.38 delta_h 4.6 kcal #Fe2(OH)2+4 334 - 2Fe+3 + 2H2O = Fe2(OH)2+4 + 2H+ - log_k -2.95 + 2 Fe+3 + 2 H2O = Fe2(OH)2+4 + 2 H+ + log_k -2.95 delta_h 13.5 kcal #Fe3(OH)4+5 335 - 3Fe+3 + 4H2O = Fe3(OH)4+5 + 4H+ - log_k -6.3 + 3 Fe+3 + 4 H2O = Fe3(OH)4+5 + 4 H+ + log_k -6.3 delta_h 14.3 kcal #PbCl+ 341 - Pb+2 + Cl- = PbCl+ - log_k 1.6 + Pb+2 + Cl- = PbCl+ + log_k 1.6 delta_h 4.38 kcal #PbCl2 342 - Pb+2 + 2Cl- = PbCl2 - log_k 1.8 + Pb+2 + 2 Cl- = PbCl2 + log_k 1.8 delta_h 1.08 kcal #PbCl3- 343 - Pb+2 + 3Cl- = PbCl3- - log_k 1.7 + Pb+2 + 3 Cl- = PbCl3- + log_k 1.7 delta_h 2.17 kcal #PbCl4-2 344 - Pb+2 + 4Cl- = PbCl4-2 - log_k 1.38 + Pb+2 + 4 Cl- = PbCl4-2 + log_k 1.38 delta_h 3.53 kcal #Pb(CO3)2-2 345 - Pb+2 + 2CO3-2 = Pb(CO3)2-2 - log_k 10.64 + Pb+2 + 2 CO3-2 = Pb(CO3)2-2 + log_k 10.64 #PbF+ 346 - Pb+2 + F- = PbF+ - log_k 1.25 + Pb+2 + F- = PbF+ + log_k 1.25 #PbF2 347 - Pb+2 + 2F- = PbF2 - log_k 2.56 + Pb+2 + 2 F- = PbF2 + log_k 2.56 #PbF3- 348 - Pb+2 + 3F- = PbF3- - log_k 3.42 + Pb+2 + 3 F- = PbF3- + log_k 3.42 #PbF4-2 349 - Pb+2 + 4F- = PbF4-2 - log_k 3.1 + Pb+2 + 4 F- = PbF4-2 + log_k 3.1 #PbOH+ 350 - Pb+2 + H2O = PbOH+ + H+ - log_k -7.71 + Pb+2 + H2O = PbOH+ + H+ + log_k -7.71 #Pb(OH)2 351 - Pb+2 + 2H2O = Pb(OH)2 + 2H+ - log_k -17.12 + Pb+2 + 2 H2O = Pb(OH)2 + 2 H+ + log_k -17.12 #Pb(OH)3- 352 - Pb+2 + 3H2O = Pb(OH)3- + 3H+ - log_k -28.06 + Pb+2 + 3 H2O = Pb(OH)3- + 3 H+ + log_k -28.06 #Pb2OH+3 353 - 2Pb+2 + H2O = Pb2OH+3 + H+ - log_k -6.36 + 2 Pb+2 + H2O = Pb2OH+3 + H+ + log_k -6.36 #PbNO3+ 354 Pb+2 + NO3- = PbNO3+ - log_k 1.17 + log_k 1.17 #PbSO4 355 - Pb+2 + SO4-2 = PbSO4 - log_k 2.75 + Pb+2 + SO4-2 = PbSO4 + log_k 2.75 #Pb(HS)2 356 - Pb+2 + 2HS- = Pb(HS)2 - log_k 15.27 + Pb+2 + 2 HS- = Pb(HS)2 + log_k 15.27 #Pb(HS)3- 357 - Pb+2 + 3HS- = Pb(HS)3- - log_k 16.57 + Pb+2 + 3 HS- = Pb(HS)3- + log_k 16.57 #Pb3(OH)4+2 358 - 3Pb+2 + 4H2O = Pb3(OH)4+2 + 4H+ - log_k -23.88 + 3 Pb+2 + 4 H2O = Pb3(OH)4+2 + 4 H+ + log_k -23.88 delta_h 26.5 kcal #FeF+ 359 - Fe+2 + F- = FeF+ - log_k 1.0 + Fe+2 + F- = FeF+ + log_k 1 #AlHSO4+2 397 - Al+3 + HSO4- = AlHSO4+2 - log_k 0.46 + Al+3 + HSO4- = AlHSO4+2 + log_k 0.46 #NO2 secondary master species 400 - NO3- + 2H+ + 2e- = NO2- + H2O - log_k 28.57 + NO3- + 2 H+ + 2 e- = NO2- + H2O + log_k 28.57 delta_h -43.76 kcal #NiBr+ 403 - Ni+2 + Br- = NiBr+ - log_k 0.5 + Ni+2 + Br- = NiBr+ + log_k 0.5 #NiCl+ 404 - Ni+2 + Cl- = NiCl+ - log_k 0.4 + Ni+2 + Cl- = NiCl+ + log_k 0.4 #NiF+ 405 - Ni+2 + F- = NiF+ - log_k 1.3 + Ni+2 + F- = NiF+ + log_k 1.3 #NiOH+ 406 - Ni+2 + H2O = NiOH+ + H+ - log_k -9.86 + Ni+2 + H2O = NiOH+ + H+ + log_k -9.86 delta_h 12.42 kcal #Ni(OH)2 407 - Ni+2 + 2H2O = Ni(OH)2 + 2H+ - log_k -19.0 + Ni+2 + 2 H2O = Ni(OH)2 + 2 H+ + log_k -19 #Ni(OH)3- 408 - Ni+2 + 3H2O = Ni(OH)3- + 3H+ - log_k -30.0 + Ni+2 + 3 H2O = Ni(OH)3- + 3 H+ + log_k -30 #NiSO4 409 - Ni+2 + SO4-2 = NiSO4 - log_k 2.29 + Ni+2 + SO4-2 = NiSO4 + log_k 2.29 delta_h 1.52 kcal #AgBr 421 Ag+ + Br- = AgBr - log_k 4.24 + log_k 4.24 #AgBr2- 422 - Ag+ + 2Br- = AgBr2- - log_k 7.28 + Ag+ + 2 Br- = AgBr2- + log_k 7.28 #AgCl 423 Ag+ + Cl- = AgCl - log_k 3.27 + log_k 3.27 delta_h -2.68 kcal #AgCl2- 424 - Ag+ + 2Cl- = AgCl2- - log_k 5.27 + Ag+ + 2 Cl- = AgCl2- + log_k 5.27 delta_h -3.93 kcal #AgCl3-2 425 - Ag+ + 3Cl- = AgCl3-2 - log_k 5.29 + Ag+ + 3 Cl- = AgCl3-2 + log_k 5.29 #AgCl4-3 426 - Ag+ + 4Cl- = AgCl4-3 - log_k 5.51 + Ag+ + 4 Cl- = AgCl4-3 + log_k 5.51 #AgF 427 Ag+ + F- = AgF - log_k 0.36 + log_k 0.36 delta_h -2.83 kcal #AgHS 428 - Ag+ + HS- = AgHS - log_k 14.05 + Ag+ + HS- = AgHS + log_k 14.05 #Ag(HS)2- 429 - Ag+ + 2HS- = Ag(HS)2- - log_k 18.45 + Ag+ + 2 HS- = Ag(HS)2- + log_k 18.45 #AgI 430 Ag+ + I- = AgI - log_k 6.6 + log_k 6.6 #AgI2- 431 - Ag+ + 2I- = AgI2- - log_k 10.68 + Ag+ + 2 I- = AgI2- + log_k 10.68 #AgOH 432 - Ag+ + H2O = AgOH + H+ - log_k -12.0 + Ag+ + H2O = AgOH + H+ + log_k -12 #Ag(OH)2- 433 - Ag+ + 2H2O = Ag(OH)2- + 2H+ - log_k -24.0 + Ag+ + 2 H2O = Ag(OH)2- + 2 H+ + log_k -24 #AgSO4- 434 Ag+ + SO4-2 = AgSO4- - log_k 1.29 + log_k 1.29 delta_h 1.49 kcal #AgNO3 435 Ag+ + NO3- = AgNO3 - log_k -0.29 + log_k -0.29 #Ag(NO2)2- 436 - Ag+ + 2NO2- = Ag(NO2)2- - log_k 2.22 + Ag+ + 2 NO2- = Ag(NO2)2- + log_k 2.22 #ZnBr+ 447 - Zn+2 + Br- = ZnBr+ - log_k -0.58 + Zn+2 + Br- = ZnBr+ + log_k -0.58 #ZnBr2 448 - Zn+2 + 2Br- = ZnBr2 - log_k -0.98 + Zn+2 + 2 Br- = ZnBr2 + log_k -0.98 #ZnI+ 449 - Zn+2 + I- = ZnI+ - log_k -2.91 + Zn+2 + I- = ZnI+ + log_k -2.91 #ZnI2 450 - Zn+2 + 2I- = ZnI2 - log_k -1.69 + Zn+2 + 2 I- = ZnI2 + log_k -1.69 #CdBr+ 451 - Cd+2 + Br- = CdBr+ - log_k 2.17 + Cd+2 + Br- = CdBr+ + log_k 2.17 delta_h -0.81 kcal #CdBr2 452 - Cd+2 + 2Br- = CdBr2 - log_k 2.9 + Cd+2 + 2 Br- = CdBr2 + log_k 2.9 #CdI+ 453 - Cd+2 + I- = CdI+ - log_k 2.15 + Cd+2 + I- = CdI+ + log_k 2.15 delta_h -2.37 kcal #CdI2 454 - Cd+2 + 2I- = CdI2 - log_k 3.59 + Cd+2 + 2 I- = CdI2 + log_k 3.59 #PbBr+ 455 - Pb+2 + Br- = PbBr+ - log_k 1.77 + Pb+2 + Br- = PbBr+ + log_k 1.77 delta_h 2.88 kcal #PbBr2 456 - Pb+2 + 2Br- = PbBr2 - log_k 1.44 + Pb+2 + 2 Br- = PbBr2 + log_k 1.44 #PbI+ 457 - Pb+2 + I- = PbI+ - log_k 1.94 + Pb+2 + I- = PbI+ + log_k 1.94 #PbI2 458 - Pb+2 + 2I- = PbI2 - log_k 3.2 + Pb+2 + 2 I- = PbI2 + log_k 3.2 #PbCO3 468 - Pb+2 + CO3-2 = PbCO3 - log_k 7.24 + Pb+2 + CO3-2 = PbCO3 + log_k 7.24 #Pb(OH)4-2 469 - Pb+2 + 4H2O = Pb(OH)4-2 + 4H+ - log_k -39.7 + Pb+2 + 4 H2O = Pb(OH)4-2 + 4 H+ + log_k -39.7 #Pb(SO4)2-2 470 - Pb+2 + 2SO4-2 = Pb(SO4)2-2 - log_k 3.47 + Pb+2 + 2 SO4-2 = Pb(SO4)2-2 + log_k 3.47 #AgBr3-2 473 - Ag+ + 3Br- = AgBr3-2 - log_k 8.71 + Ag+ + 3 Br- = AgBr3-2 + log_k 8.71 #AgI3-2 474 - Ag+ + 3I- = AgI3-2 - log_k 13.37 + Ag+ + 3 I- = AgI3-2 + log_k 13.37 delta_h -27.03 kcal #AgI4-3 475 - Ag+ + 4I- = AgI4-3 - log_k 14.08 + Ag+ + 4 I- = AgI4-3 + log_k 14.08 #Fe(HS)2 476 - Fe+2 + 2HS- = Fe(HS)2 - log_k 8.95 + Fe+2 + 2 HS- = Fe(HS)2 + log_k 8.95 #Fe(HS)3- 477 - Fe+2 + 3HS- = Fe(HS)3- - log_k 10.987 + Fe+2 + 3 HS- = Fe(HS)3- + log_k 10.987 #H2AsO3- 478 H3AsO3 = H2AsO3- + H+ - log_k -9.15 - delta_h 27.54 kJ + log_k -9.15 + delta_h 27.54 kJ #HAsO3-2 479 - H3AsO3 = HAsO3-2 + 2H+ - log_k -23.85 - delta_h 59.41 kJ + H3AsO3 = HAsO3-2 + 2 H+ + log_k -23.85 + delta_h 59.41 kJ #AsO3-3 480 - H3AsO3 = AsO3-3 + 3H+ - log_k -39.55 - delta_h 84.73 kJ + H3AsO3 = AsO3-3 + 3 H+ + log_k -39.55 + delta_h 84.73 kJ #H4AsO3+ 481 - H3AsO3 + H+ = H4AsO3+ - log_k -0.305 + H3AsO3 + H+ = H4AsO3+ + log_k -0.305 #H2AsO4- 482 H3AsO4 = H2AsO4- + H+ - log_k -2.3 - delta_h -7.066 kJ + log_k -2.3 + delta_h -7.066 kJ #HAsO4-2 483 - H3AsO4 = HAsO4-2 + 2H+ - log_k -9.46 - delta_h -3.846 kJ + H3AsO4 = HAsO4-2 + 2 H+ + log_k -9.46 + delta_h -3.846 kJ #AsO43- 484 - H3AsO4 = AsO4-3 + 3H+ - log_k -21.11 - delta_h 14.354 kJ + H3AsO4 = AsO4-3 + 3 H+ + log_k -21.11 + delta_h 14.354 kJ #As3 secondary master species 487 H3AsO4 + H2 = H3AsO3 + H2O - log_k 22.5 - delta_h -117.480344 kJ + log_k 22.5 + delta_h -117.480344 kJ #As3S4(HS)-2 631 - 3H3AsO3 + 6HS- + 5H+ = As3S4(HS)2- + 9H2O - log_k 72.314 - -gamma 5.0 0.0 + 3 H3AsO3 + 6 HS- + 5 H+ = As3S4(HS)2- + 9 H2O + log_k 72.314 + -gamma 5 0 #AsS(OH)(HS)- 637 - H3AsO3 + 2HS- + H+ = AsS(OH)(HS)- + 2H2O - log_k 18.038 - -gamma 5.0 0.0 + H3AsO3 + 2 HS- + H+ = AsS(OH)(HS)- + 2 H2O + log_k 18.038 + -gamma 5 0 # -# TURNING OFF CHECKING FOR EQUATION BALANCE FOR +# TURNING OFF CHECKING FOR EQUATION BALANCE FOR # POLYSULFIDES # @@ -1406,73 +1409,73 @@ SOLUTION_SPECIES # Cu+2 + 2HS- + e- = CuS4S5-3 + 2H+ # (lhs) +7S # log_k 5.382 # -no_check -# -mass_balance CuS(-2)9 +# -mass_balance CuS(-2)9 # -gamma 25.0 0.0 #As3/As5 487 -# H3AsO3 + H2O = H3AsO4 + 2H+ + 2e- +# H3AsO3 + H2O = H3AsO4 + 2H+ + 2e- # log_k -18.897 # delta_h 30.015 kcal #S2-2 502 - HS- = S2-2 + H+ # (lhs) +S - log_k -14.528 + HS- = S2-2 + H+ # (lhs) +S + log_k -14.528 delta_h 11.4 kcal -no_check - -mass_balance S(-2)2 - -gamma 6.5 0.0 + -mass_balance S(-2)2 + -gamma 6.5 0 #S3-2 503 - HS- = S3-2 + H+ # (lhs) +2S - log_k -13.282 + HS- = S3-2 + H+ # (lhs) +2S + log_k -13.282 delta_h 10.4 kcal -no_check - -mass_balance S(-2)3 - -gamma 8.0 0.0 + -mass_balance S(-2)3 + -gamma 8 0 #S4-2 504 - HS- = S4-2 + H+ # (lhs) +3S - log_k -9.829 + HS- = S4-2 + H+ # (lhs) +3S + log_k -9.829 delta_h 9.7 kcal -no_check - -mass_balance S(-2)4 - -gamma 10.0 0.0 + -mass_balance S(-2)4 + -gamma 10 0 #S5-2 505 - HS- = S5-2 + H+ # (lhs) +4S - log_k -9.595 + HS- = S5-2 + H+ # (lhs) +4S + log_k -9.595 delta_h 9.3 kcal -no_check - -mass_balance S(-2)5 - -gamma 12.0 0.0 + -mass_balance S(-2)5 + -gamma 12 0 #S6-2 506 - HS- = S6-2 + H+ # (lhs) +5S - log_k -9.881 + HS- = S6-2 + H+ # (lhs) +5S + log_k -9.881 -no_check - -mass_balance S(-2)6 - -gamma 14.0 0.0 + -mass_balance S(-2)6 + -gamma 14 0 #Ag(S4)2-3 507 - Ag+ + 2HS- = Ag(S4)2-3 + 2H+ # (lhs) +6S - log_k 0.991 + Ag+ + 2 HS- = Ag(S4)2-3 + 2 H+ # (lhs) +6S + log_k 0.991 -no_check - -mass_balance AgS(-2)8 - -gamma 22.0 0.0 + -mass_balance AgS(-2)8 + -gamma 22 0 #Ag(S4)S5-3 508 - Ag+ + 2HS- = Ag(S4)S5-3 + 2H+ # (lhs) +7S - log_k 0.68 + Ag+ + 2 HS- = Ag(S4)S5-3 + 2 H+ # (lhs) +7S + log_k 0.68 -no_check - -mass_balance AgS(-2)9 - -gamma 24.0 0.0 + -mass_balance AgS(-2)9 + -gamma 24 0 #AgHS(S4)-2 509 # (lhs) +3S - Ag+ + 2HS- = AgHS(S4)-2 + H+ - log_k 10.43 + Ag+ + 2 HS- = AgHS(S4)-2 + H+ + log_k 10.43 -no_check - -mass_balance AgHS(-2)5 - -gamma 15.0 0.0 + -mass_balance AgHS(-2)5 + -gamma 15 0 # # END OF POLYSULFIDES @@ -1480,99 +1483,99 @@ SOLUTION_SPECIES #CuHCO3+ 510 Cu+2 + HCO3- = CuHCO3+ - log_k 2.7 + log_k 2.7 #ZnHCO3+ 511 Zn+2 + HCO3- = ZnHCO3+ - log_k 2.1 + log_k 2.1 #ZnCO3 512 - Zn+2 + CO3-2 = ZnCO3 - log_k 5.3 + Zn+2 + CO3-2 = ZnCO3 + log_k 5.3 #Zn(CO3)2-2 513 - Zn+2 + 2CO3-2 = Zn(CO3)2-2 - log_k 9.63 + Zn+2 + 2 CO3-2 = Zn(CO3)2-2 + log_k 9.63 #CdHCO3 514 Cd+2 + HCO3- = CdHCO3+ - log_k 1.5 + log_k 1.5 #CdCO3 515 - Cd+2 + CO3-2 = CdCO3 - log_k 2.9 + Cd+2 + CO3-2 = CdCO3 + log_k 2.9 #Cd(SO4)2-2 516 - Cd+2 + 2SO4-2 = Cd(SO4)2-2 - log_k 3.5 + Cd+2 + 2 SO4-2 = Cd(SO4)2-2 + log_k 3.5 #PbHCO3+ 517 Pb+2 + HCO3- = PbHCO3+ - log_k 2.9 + log_k 2.9 #NiCl2 518 - Ni+2 + 2Cl- = NiCl2 - log_k 0.96 + Ni+2 + 2 Cl- = NiCl2 + log_k 0.96 #NiHCO3+ 519 Ni+2 + HCO3- = NiHCO3+ - log_k 2.14 + log_k 2.14 #NiCO3 520 - Ni+2 + CO3-2 = NiCO3 - log_k 6.87 + Ni+2 + CO3-2 = NiCO3 + log_k 6.87 #Ni(CO3)2-2 521 - Ni+2 + 2CO3-2 = Ni(CO3)2-2 - log_k 10.11 + Ni+2 + 2 CO3-2 = Ni(CO3)2-2 + log_k 10.11 #Ni(SO4)2-2 522 - Ni+2 + 2SO4-2 = Ni(SO4)2-2 - log_k 1.02 + Ni+2 + 2 SO4-2 = Ni(SO4)2-2 + log_k 1.02 #HFulvate 523 - H+ + Fulvate-2 = HFulvate- - log_k 4.27 + H+ + Fulvate-2 = HFulvate- + log_k 4.27 #HHumate 524 - H+ + Humate-2 = HHumate- - log_k 4.27 + H+ + Humate-2 = HHumate- + log_k 4.27 #FeFulvate 525 - Fe+3 + Fulvate-2 = FeFulvate+ - log_k 9.4 + Fe+3 + Fulvate-2 = FeFulvate+ + log_k 9.4 #FeHumate 526 - Fe+3 + Humate-2 = FeHumate+ - log_k 9.4 + Fe+3 + Humate-2 = FeHumate+ + log_k 9.4 #CuFulvate 527 Cu+2 + Fulvate-2 = CuFulvate - log_k 6.2 + log_k 6.2 #CuHumate 528 Cu+2 + Humate-2 = CuHumate - log_k 6.2 + log_k 6.2 #CdFulvate 529 Cd+2 + Fulvate-2 = CdFulvate - log_k 3.5 + log_k 3.5 #CdHumate 530 Cd+2 + Humate-2 = CdHumate - log_k 3.5 + log_k 3.5 #AgFulvate 531 - Ag+ + Fulvate-2 = AgFulvate- - log_k 2.4 + Ag+ + Fulvate-2 = AgFulvate- + log_k 2.4 #AgHumate 532 - Ag+ + Humate-2 = AgHumate- - log_k 2.4 + Ag+ + Humate-2 = AgHumate- + log_k 2.4 #H2F2 537 - 2H+ + 2F- = H2F2 - log_k 6.768 + 2 H+ + 2 F- = H2F2 + log_k 6.768 #peS/H2S 538 # S + 2H+ + 2e- = H2S @@ -1580,1969 +1583,1969 @@ SOLUTION_SPECIES #NaF 540 Na+ + F- = NaF - log_k -0.24 + log_k -0.24 #FeCl+ 542 - Fe+2 + Cl- = FeCl+ - log_k 0.14 - -gamma 5.0 0.0 + Fe+2 + Cl- = FeCl+ + log_k 0.14 + -gamma 5 0 #BaSO4 543 - Ba+2 + SO4-2 = BaSO4 - log_k 2.7 + Ba+2 + SO4-2 = BaSO4 + log_k 2.7 #HSe- secondary master species 549 - SeO3-2 + 7H+ + 6e- = HSe- + 3H2O - log_k 42.514 + SeO3-2 + 7 H+ + 6 e- = HSe- + 3 H2O + log_k 42.514 #H2Se 544 - HSe- + H+ = H2Se - log_k 3.8 + HSe- + H+ = H2Se + log_k 3.8 delta_h -5.3 kcal #SeO3-2 secondary master species 548 - SeO4-2 + 2H+ + 2e- = SeO3-2 + H2O - log_k 30.256 + SeO4-2 + 2 H+ + 2 e- = SeO3-2 + H2O + log_k 30.256 #H2SeO3 545 - SeO3-2 + 2H+ = H2SeO3 - log_k 11.25 + SeO3-2 + 2 H+ = H2SeO3 + log_k 11.25 #HSeO3- 546 SeO3-2 + H+ = HSeO3- - log_k 8.5 + log_k 8.5 #HSeO4- 547 SeO4-2 + H+ = HSeO4- - log_k 1.66 + log_k 1.66 delta_h 4.91 kcal #Se4/Se6 548 -# SeO3-2 + H2O = SeO4-2 + 2H+ + 2e- +# SeO3-2 + H2O = SeO4-2 + 2H+ + 2e- # -30.256 0.0 #Se4/Se-2 549 -# SeO3-2 + 7H+ + 6e- = HSe- + 3H2O +# SeO3-2 + 7H+ + 6e- = HSe- + 3H2O # 42.514 0.0 #As3/As 557 -# H3AsO3 + 3H+ + 3e- = As + 3H2O +# H3AsO3 + 3H+ + 3e- = As + 3H2O # 12.170 0.0 #FeHCO3+ 558 Fe+2 + HCO3- = FeHCO3+ - log_k 2.0 + log_k 2 #FeCO3 559 - Fe+2 + CO3-2 = FeCO3 - log_k 4.38 + Fe+2 + CO3-2 = FeCO3 + log_k 4.38 #MnCO3 560 - Mn+2 + CO3-2 = MnCO3 - log_k 4.9 + Mn+2 + CO3-2 = MnCO3 + log_k 4.9 #BaHCO3+ 561 Ba+2 + HCO3- = BaHCO3+ - log_k 0.982 + log_k 0.982 delta_h 5.56 kcal - -analytical -3.0938 0.013669 0.0 0.0 0.0 + -analytical -3.0938 0.013669 0 0 0 #BaCO3 562 - Ba+2 + CO3-2 = BaCO3 - log_k 2.71 + Ba+2 + CO3-2 = BaCO3 + log_k 2.71 delta_h 3.55 kcal - -analytical 0.113 0.008721 0.0 0.0 0.0 + -analytical 0.113 0.008721 0 0 0 #SrSO4 563 - Sr+2 + SO4-2 = SrSO4 - log_k 2.29 + Sr+2 + SO4-2 = SrSO4 + log_k 2.29 delta_h 2.08 kcal #U+4 secondary master species 565 - UO2+2 + 4H+ + 2e- = U+4 + 2H2O - log_k 9.04 + UO2+2 + 4 H+ + 2 e- = U+4 + 2 H2O + log_k 9.04 delta_h -34.43 kcal #U+3 secondary master species 566 - U+4 + e- = U+3 - log_k -8.796 + U+4 + e- = U+3 + log_k -8.796 delta_h 24.4 kcal #UOH+3 567 - U+4 + H2O = UOH+3 + H+ - log_k -0.54 + U+4 + H2O = UOH+3 + H+ + log_k -0.54 delta_h 11.21 kcal #U(OH)2+2 568 - U+4 + 2H2O = U(OH)2+2 + 2H+ - log_k -2.27 + U+4 + 2 H2O = U(OH)2+2 + 2 H+ + log_k -2.27 delta_h 17.73 kcal #U(OH)3+ 569 - U+4 + 3H2O = U(OH)3+ + 3H+ - log_k -4.935 + U+4 + 3 H2O = U(OH)3+ + 3 H+ + log_k -4.935 delta_h 22.645 kcal #U(OH)4 570 - U+4 + 4H2O = U(OH)4 + 4H+ - log_k -8.498 + U+4 + 4 H2O = U(OH)4 + 4 H+ + log_k -8.498 delta_h 24.76 kcal #U6(OH)15+9 572 - 6U+4 + 15H2O = U6(OH)15+9 + 15H+ - log_k -17.2 + 6 U+4 + 15 H2O = U6(OH)15+9 + 15 H+ + log_k -17.2 #UF+3 578 - U+4 + F- = UF+3 - log_k 9.3 + U+4 + F- = UF+3 + log_k 9.3 delta_h -1.3 kcal #UF2+2 579 - U+4 + 2F- = UF2+2 - log_k 16.22 + U+4 + 2 F- = UF2+2 + log_k 16.22 delta_h -0.8 kcal #UF3+ 580 - U+4 + 3F- = UF3+ - log_k 21.6 + U+4 + 3 F- = UF3+ + log_k 21.6 delta_h 0.1 kcal #UF4 581 - U+4 + 4F- = UF4 - log_k 25.5 + U+4 + 4 F- = UF4 + log_k 25.5 delta_h -0.87 kcal #UF5- 582 - U+4 + 5F- = UF5- - log_k 27.01 + U+4 + 5 F- = UF5- + log_k 27.01 delta_h 4.85 kcal #UF6-2 583 - U+4 + 6F- = UF6-2 - log_k 29.1 + U+4 + 6 F- = UF6-2 + log_k 29.1 delta_h 3.3 kcal #UCl+3 586 - U+4 + Cl- = UCl+3 - log_k 1.72 + U+4 + Cl- = UCl+3 + log_k 1.72 delta_h -4.54 kcal #USO4+2 587 - U+4 + SO4-2 = USO4+2 - log_k 6.58 + U+4 + SO4-2 = USO4+2 + log_k 6.58 delta_h 1.9 kcal #U(SO4)2 588 - U+4 + 2SO4-2 = U(SO4)2 - log_k 10.5 + U+4 + 2 SO4-2 = U(SO4)2 + log_k 10.5 delta_h 7.8 kcal #U(CO3)4-4 589 - U+4 + 4CO3-2 = U(CO3)4-4 - log_k 32.9 + U+4 + 4 CO3-2 = U(CO3)4-4 + log_k 32.9 #U(CO3)5-6 590 - U+4 + 5CO3-2 = U(CO3)5-6 - log_k 34.0 - delta_h 20.0 kcal + U+4 + 5 CO3-2 = U(CO3)5-6 + log_k 34 + delta_h 20 kcal #UO2+ secondary master species 595 - UO2+2 + e- = UO2+ - log_k 1.49 + UO2+2 + e- = UO2+ + log_k 1.49 delta_h -3.3 kcal #UO2OH+ 596 - UO2+2 + H2O = UO2OH+ + H+ - log_k -5.2 + UO2+2 + H2O = UO2OH+ + H+ + log_k -5.2 delta_h 11.015 kcal #(UO2)2(OH)2+2 597 - 2UO2+2 + 2H2O = (UO2)2(OH)2+2 + 2H+ - log_k -5.62 + 2 UO2+2 + 2 H2O = (UO2)2(OH)2+2 + 2 H+ + log_k -5.62 delta_h 10.23 kcal #(UO2)3(OH)5+ 598 - 3UO2+2 + 5H2O = (UO2)3(OH)5+ + 5H+ - log_k -15.55 + 3 UO2+2 + 5 H2O = (UO2)3(OH)5+ + 5 H+ + log_k -15.55 delta_h 25.075 kcal #UO2CO3 603 - UO2+2 + CO3-2 = UO2CO3 - log_k 9.63 + UO2+2 + CO3-2 = UO2CO3 + log_k 9.63 delta_h 1.2 kcal #UO2(CO3)2-2 604 - UO2+2 + 2CO3-2 = UO2(CO3)2-2 - log_k 17.0 + UO2+2 + 2 CO3-2 = UO2(CO3)2-2 + log_k 17 delta_h 4.42 kcal #UO2(CO3)3-4 605 - UO2+2 + 3CO3-2 = UO2(CO3)3-4 - log_k 21.63 + UO2+2 + 3 CO3-2 = UO2(CO3)3-4 + log_k 21.63 delta_h -9.13 kcal #UO2F+ 607 - UO2+2 + F- = UO2F+ - log_k 5.09 + UO2+2 + F- = UO2F+ + log_k 5.09 delta_h 0.41 kcal #UO2F2 608 - UO2+2 + 2F- = UO2F2 - log_k 8.62 + UO2+2 + 2 F- = UO2F2 + log_k 8.62 delta_h 0.5 kcal #UO2F3- 609 - UO2+2 + 3F- = UO2F3- - log_k 10.9 + UO2+2 + 3 F- = UO2F3- + log_k 10.9 delta_h 0.56 kcal #UO2F4-2 610 - UO2+2 + 4F- = UO2F4-2 - log_k 11.7 + UO2+2 + 4 F- = UO2F4-2 + log_k 11.7 delta_h 0.07 kcal #UO2Cl+ 611 - UO2+2 + Cl- = UO2Cl+ - log_k 0.17 + UO2+2 + Cl- = UO2Cl+ + log_k 0.17 delta_h 1.9 kcal #UO2SO4 612 - UO2+2 + SO4-2 = UO2SO4 - log_k 3.15 + UO2+2 + SO4-2 = UO2SO4 + log_k 3.15 delta_h 4.7 kcal #UO2(SO4)2-2 613 - UO2+2 + 2SO4-2 = UO2(SO4)2-2 - log_k 4.14 + UO2+2 + 2 SO4-2 = UO2(SO4)2-2 + log_k 4.14 delta_h 8.4 kcal #UO2HPO4 614 - UO2+2 + PO4-3 + H+ = UO2HPO4 - log_k 20.21 + UO2+2 + PO4-3 + H+ = UO2HPO4 + log_k 20.21 delta_h -2.1 kcal #UO2(HPO4)2-2 615 - UO2+2 + 2PO4-3 + 2H+ = UO2(HPO4)2-2 - log_k 43.441 + UO2+2 + 2 PO4-3 + 2 H+ = UO2(HPO4)2-2 + log_k 43.441 delta_h -11.8 kcal #UO2H2PO4+ 616 - UO2+2 + PO4-3 + 2H+ = UO2H2PO4+ - log_k 22.87 + UO2+2 + PO4-3 + 2 H+ = UO2H2PO4+ + log_k 22.87 delta_h -3.7 kcal #UO2H2PO4)2 617 - UO2+2 + 2PO4-3 + 4H+ = UO2(H2PO4)2 - log_k 44.38 + UO2+2 + 2 PO4-3 + 4 H+ = UO2(H2PO4)2 + log_k 44.38 delta_h -16.5 kcal #UO2H2PO4)3- 618 - UO2+2 + 3PO4-3 + 6H+ = UO2(H2PO4)3- - log_k 66.245 + UO2+2 + 3 PO4-3 + 6 H+ = UO2(H2PO4)3- + log_k 66.245 delta_h -28.6 kcal #UBr+3 633 - U+4 + Br- = UBr+3 - log_k 1.5 + U+4 + Br- = UBr+3 + log_k 1.5 #UI+3 634 - U+4 + I- = UI+3 - log_k 1.3 + U+4 + I- = UI+3 + log_k 1.3 #UNO3+3 635 - U+4 + NO3- = UNO3+3 - log_k 1.47 + U+4 + NO3- = UNO3+3 + log_k 1.47 #U(NO3)2+2 636 - U+4 + 2NO3- = U(NO3)2+2 - log_k 2.3 + U+4 + 2 NO3- = U(NO3)2+2 + log_k 2.3 #UO2(OH)3- 638 - UO2+2 + 3H2O = UO2(OH)3- + 3H+ - log_k -19.2 + UO2+2 + 3 H2O = UO2(OH)3- + 3 H+ + log_k -19.2 #UO2(OH)4-2 639 - UO2+2 + 4H2O = UO2(OH)4-2 + 4H+ - log_k -33.0 + UO2+2 + 4 H2O = UO2(OH)4-2 + 4 H+ + log_k -33 #(UO2)2OH+3 640 - 2UO2+2 + H2O = (UO2)2OH+3 + H+ - log_k -2.7 + 2 UO2+2 + H2O = (UO2)2OH+3 + H+ + log_k -2.7 #(UO2)3(OH)4+2 641 - 3UO2+2 + 4H2O = (UO2)3(OH)4+2 + 4H+ - log_k -11.9 + 3 UO2+2 + 4 H2O = (UO2)3(OH)4+2 + 4 H+ + log_k -11.9 #(UO2)3(OH)7- 642 - 3UO2+2 + 7H2O = (UO2)3(OH)7- + 7H+ - log_k -31.0 + 3 UO2+2 + 7 H2O = (UO2)3(OH)7- + 7 H+ + log_k -31 #(UO2)4(OH)7+ 643 - 4UO2+2 + 7H2O = (UO2)4(OH)7+ + 7H+ - log_k -21.9 + 4 UO2+2 + 7 H2O = (UO2)4(OH)7+ + 7 H+ + log_k -21.9 #UO2Cl2 644 - UO2+2 + 2Cl- = UO2Cl2 - log_k -1.1 + UO2+2 + 2 Cl- = UO2Cl2 + log_k -1.1 delta_h 3.6 kcal #UO2Br+ 645 - UO2+2 + Br- = UO2Br+ - log_k 0.22 + UO2+2 + Br- = UO2Br+ + log_k 0.22 #UO2NO3+ 646 - UO2+2 + NO3- = UO2NO3+ - log_k 0.3 + UO2+2 + NO3- = UO2NO3+ + log_k 0.3 #UO2H3PO4+2 647 - UO2+2 + PO4-3 + 3H+ = UO2H3PO4+2 - log_k 22.813 + UO2+2 + PO4-3 + 3 H+ = UO2H3PO4+2 + log_k 22.813 #(UO2)3(CO3)6-6 648 - 3UO2+2 + 6CO3-2 = (UO2)3(CO3)6-6 - log_k 54.0 + 3 UO2+2 + 6 CO3-2 = (UO2)3(CO3)6-6 + log_k 54 #UO2PO4- 649 UO2+2 + PO4-3 = UO2PO4- - log_k 13.69 + log_k 13.69 #UO2(CO3)3-5 650 -# UO2+2 + 3CO3-2 + e- = UO2(CO3)3-5 +# UO2+2 + 3CO3-2 + e- = UO2(CO3)3-5 # log_k 8.920 - UO2+ + 3CO3-2 = UO2(CO3)3-5 - log_k 7.43 + UO2+ + 3 CO3-2 = UO2(CO3)3-5 + log_k 7.43 delta_h 3.33 kcal PHASES H2O(g) H2O = H2O - log_k 1.51 - delta_h -44.03 kJ + log_k 1.51 + delta_h -44.03 kJ # Stumm and Morgan, from NBS and Robie, Hemmingway, and Fischer (1978) -Siderite(d)(3) 9 - FeCO3 = Fe+2 + CO3-2 - log_k -10.45 +Siderite(d)(3) 9 + FeCO3 = Fe+2 + CO3-2 + log_k -10.45 -Magnesite 10 - MgCO3 = Mg+2 + CO3-2 - log_k -8.029 +Magnesite 10 + MgCO3 = Mg+2 + CO3-2 + log_k -8.029 delta_h -6.169 kcal -Dolomite(d) 11 - CaMg(CO3)2 = Ca+2 + Mg+2 + 2CO3-2 - log_k -16.54 +Dolomite(d) 11 + CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2 + log_k -16.54 delta_h -11.09 kcal -Calcite 12 - CaCO3 = Ca+2 + CO3-2 - log_k -8.48 +Calcite 12 + CaCO3 = Ca+2 + CO3-2 + log_k -8.48 delta_h -2.297 kcal - -analytical -171.9065 -0.077993 2839.319 71.595 0.0 + -analytical -171.9065 -0.077993 2839.319 71.595 0 -Anhydrite 17 - CaSO4 = Ca+2 + SO4-2 - log_k -4.36 +Anhydrite 17 + CaSO4 = Ca+2 + SO4-2 + log_k -4.36 delta_h -1.71 kcal - -analytical 197.52 0.0 -8669.8 -69.835 0.0 + -analytical 197.52 0 -8669.8 -69.835 0 -Gypsum 18 - CaSO4:2H2O = Ca+2 + SO4-2 + 2H2O - log_k -4.58 +Gypsum 18 + CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O + log_k -4.58 delta_h -0.109 kcal - -analytical 68.2401 0.0 -3221.51 -25.0627 0.0 + -analytical 68.2401 0 -3221.51 -25.0627 0 -Brucite 19 - Mg(OH)2 + 2H+ = Mg+2 + 2H2O - log_k 16.84 +Brucite 19 + Mg(OH)2 + 2 H+ = Mg+2 + 2 H2O + log_k 16.84 delta_h -27.1 kcal -Chrysotile 20 - Mg3Si2O5(OH)4 + 6H+ = 3Mg+2 + 2H4SiO4 + H2O - log_k 32.2 +Chrysotile 20 + Mg3Si2O5(OH)4 + 6 H+ = 3 Mg+2 + 2 H4SiO4 + H2O + log_k 32.2 delta_h -46.8 kcal - -analytical 13.248 0.0 10217.1 -6.1894 0.0 + -analytical 13.248 0 10217.1 -6.1894 0 -Aragonite 21 - CaCO3 = Ca+2 + CO3-2 - log_k -8.336 +Aragonite 21 + CaCO3 = Ca+2 + CO3-2 + log_k -8.336 delta_h -2.589 kcal - -analytical -171.9773 -0.077993 2903.293 71.595 0.0 + -analytical -171.9773 -0.077993 2903.293 71.595 0 -Forsterite 27 - Mg2SiO4 + 4H+ = 2Mg+2 + H4SiO4 - log_k 28.306 +Forsterite 27 + Mg2SiO4 + 4 H+ = 2 Mg+2 + H4SiO4 + log_k 28.306 delta_h -48.578 kcal -Diopside 28 - CaMgSi2O6 + 4H+ + 2H2O = Ca+2 + Mg+2 + 2H4SiO4 - log_k 19.894 +Diopside 28 + CaMgSi2O6 + 4 H+ + 2 H2O = Ca+2 + Mg+2 + 2 H4SiO4 + log_k 19.894 delta_h -32.348 kcal -Clinoenstatite 29 - MgSiO3 + 2H+ + H2O = Mg+2 + H4SiO4 - log_k 11.342 +Clinoenstatite 29 + MgSiO3 + 2 H+ + H2O = Mg+2 + H4SiO4 + log_k 11.342 delta_h -20.049 kcal -Tremolite 31 - Ca2Mg5Si8O22(OH)2+14H+ +8H2O = 2Ca+2 +5Mg+2 +8H4SiO4 - log_k 56.574 +Tremolite 31 + Ca2Mg5Si8O22(OH)2 + 14 H+ + 8 H2O = 2 Ca+2 + 5 Mg+2 + 8 H4SiO4 + log_k 56.574 delta_h -96.853 kcal -Sepiolite 36 - Mg2Si3O7.5OH:3H2O+0.5H2O+4H+ = 2Mg+2 +3H4SiO4 - log_k 15.76 +Sepiolite 36 + Mg2Si3O7.5OH:3H2O + 0.5 H2O + 4 H+ = 2 Mg+2 + 3 H4SiO4 + log_k 15.76 delta_h -10.7 kcal -Talc 37 - Mg3Si4O10(OH)2+4H2O+6H+=3Mg+2 +4H4SiO4 - log_k 21.399 +Talc 37 + Mg3Si4O10(OH)2 + 4 H2O + 6 H+ = 3 Mg+2 + 4 H4SiO4 + log_k 21.399 delta_h -46.352 kcal -Hydromagnesite 38 - Mg5(CO3)4(OH)2:4H2O + 2H+ = 5Mg+2 + 4CO3-2 + 6H2O - log_k -8.762 +Hydromagnesite 38 + Mg5(CO3)4(OH)2:4H2O + 2 H+ = 5 Mg+2 + 4 CO3-2 + 6 H2O + log_k -8.762 delta_h -52.244 kcal -Adularia 39 - KAlSi3O8 + 8H2O = K+ + Al(OH)4- + 3H4SiO4 - log_k -20.573 +Adularia 39 + KAlSi3O8 + 8 H2O = K+ + Al(OH)4- + 3 H4SiO4 + log_k -20.573 delta_h 30.82 kcal -Albite 40 - NaAlSi3O8 + 8H2O = Na+ + Al(OH)4- + 3H4SiO4 - log_k -18.002 +Albite 40 + NaAlSi3O8 + 8 H2O = Na+ + Al(OH)4- + 3 H4SiO4 + log_k -18.002 delta_h 25.896 kcal -Anorthite 41 - CaAl2Si2O8 + 8H2O = Ca+2 + 2Al(OH)4- + 2H4SiO4 - log_k -19.714 +Anorthite 41 + CaAl2Si2O8 + 8 H2O = Ca+2 + 2 Al(OH)4- + 2 H4SiO4 + log_k -19.714 delta_h 11.58 kcal -Analcime 42 - NaAlSi2O6:H2O + 5H2O = Na+ + Al(OH)4- + 2H4SiO4 - log_k -12.701 +Analcime 42 + NaAlSi2O6:H2O + 5 H2O = Na+ + Al(OH)4- + 2 H4SiO4 + log_k -12.701 delta_h 18.206 kcal -Kmica 43 - KAl3Si3O10(OH)2+10H+=K+ +3Al+3 +3H4SiO4 - log_k 12.703 +Kmica 43 + KAl3Si3O10(OH)2 + 10 H+ = K+ + 3 Al+3 + 3 H4SiO4 + log_k 12.703 delta_h -59.376 kcal -Phlogopite 44 - KMg3AlSi3O10(OH)2 + 10H+ = K+ + 3Mg+2 + Al+3 + 3H4SiO4 - log_k 43.3 - delta_h -42.30 kcal +Phlogopite 44 + KMg3AlSi3O10(OH)2 + 10 H+ = K+ + 3 Mg+2 + Al+3 + 3 H4SiO4 + log_k 43.3 + delta_h -42.3 kcal -Illite 45 - K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 11.2H2O = 0.6K+ +0.25Mg+2 + 2.3Al(OH)4- + 3.5H4SiO4 + 1.2H+ - log_k -40.267 +Illite 45 + K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 11.2 H2O = 0.6 K+ + 0.25 Mg+2 + 2.3 Al(OH)4- + 3.5 H4SiO4 + 1.2 H+ + log_k -40.267 delta_h 54.684 kcal -Kaolinite 46 - Al2Si2O5(OH)4 + 6H+ = 2Al+3 + 2H4SiO4 + H2O - log_k 7.435 +Kaolinite 46 + Al2Si2O5(OH)4 + 6 H+ = 2 Al+3 + 2 H4SiO4 + H2O + log_k 7.435 delta_h -35.3 kcal -Halloysite 47 - Al2Si2O5(OH)4 + 6H+ = 2Al+3 + 2H4SiO4 + H2O - log_k 12.498 - delta_h -39.920 kcal +Halloysite 47 + Al2Si2O5(OH)4 + 6 H+ = 2 Al+3 + 2 H4SiO4 + H2O + log_k 12.498 + delta_h -39.92 kcal -Beidellite 48 - (NaKMg0.5)0.11Al2.33Si3.67O10(OH)2 + 12H2O = 0.11Na+ + 0.11K+ + 0.055Mg+2 + 2.33Al(OH)4- + 3.67H4SiO4 + 2H+ - log_k -45.272 +Beidellite 48 + (NaKMg0.5)0.11Al2.33Si3.67O10(OH)2 + 12 H2O = 0.11 Na+ + 0.11 K+ + 0.055 Mg+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H+ + log_k -45.272 delta_h 60.355 kcal -Chlorite14A 49 - Mg5Al2Si3O10(OH)8 + 16H+ = 5Mg+2 + 2Al+3 + 3H4SiO4 + 6H2O - log_k 68.38 +Chlorite14A 49 + Mg5Al2Si3O10(OH)8 + 16 H+ = 5 Mg+2 + 2 Al+3 + 3 H4SiO4 + 6 H2O + log_k 68.38 delta_h -151.494 kcal -Alunite 50 - KAl3(SO4)2(OH)6 + 6H+ = K+ + 3Al+3 + 2SO4-2 + 6H2O - log_k -1.4 +Alunite 50 + KAl3(SO4)2(OH)6 + 6 H+ = K+ + 3 Al+3 + 2 SO4-2 + 6 H2O + log_k -1.4 delta_h -50.25 kcal -Gibbsite 51 - Al(OH)3 + 3H+ = Al+3 + 3H2O - log_k 8.11 +Gibbsite 51 + Al(OH)3 + 3 H+ = Al+3 + 3 H2O + log_k 8.11 delta_h -22.8 kcal -Boehmite 52 - AlOOH + 3H+ = Al+3 + 2H2O - log_k 8.584 +Boehmite 52 + AlOOH + 3 H+ = Al+3 + 2 H2O + log_k 8.584 delta_h -28.181 kcal -Pyrophyllite 53 - Al2Si4O10(OH)2 + 12H2O = 2Al(OH)4- + 4H4SiO4 + 2H+ - log_k -48.314 +Pyrophyllite 53 + Al2Si4O10(OH)2 + 12 H2O = 2 Al(OH)4- + 4 H4SiO4 + 2 H+ + log_k -48.314 -Phillipsite 54 - Na0.5K0.5AlSi3O8:H2O + 7H2O = 0.5Na+ +0.5K+ + Al(OH)4- + 3H4SiO4 - log_k -19.874 +Phillipsite 54 + Na0.5K0.5AlSi3O8:H2O + 7 H2O = 0.5 Na+ + 0.5 K+ + Al(OH)4- + 3 H4SiO4 + log_k -19.874 -Nahcolite 58 +Nahcolite 58 NaHCO3 = Na+ + HCO3- - log_k -0.548 - delta_h 3.720 kcal + log_k -0.548 + delta_h 3.72 kcal -Trona 59 - NaHCO3:Na2CO3:2H2O = 2H2O + 3Na+ + CO3-2 + HCO3- - log_k -0.795 - delta_h -18.0 kcal +Trona 59 + NaHCO3:Na2CO3:2H2O = 2 H2O + 3 Na+ + CO3-2 + HCO3- + log_k -0.795 + delta_h -18 kcal -Natron 60 - Na2CO3:10H2O = 2Na+ + CO3-2 + 10H2O - log_k -1.311 +Natron 60 + Na2CO3:10H2O = 2 Na+ + CO3-2 + 10 H2O + log_k -1.311 delta_h 15.745 kcal -Thermonatrite 61 - Na2CO3:H2O = 2Na+ + CO3-2 + H2O - log_k 0.125 +Thermonatrite 61 + Na2CO3:H2O = 2 Na+ + CO3-2 + H2O + log_k 0.125 delta_h -2.802 kcal -Fluorite 62 - CaF2 = Ca+2 + 2F- - log_k -10.6 +Fluorite 62 + CaF2 = Ca+2 + 2 F- + log_k -10.6 delta_h 4.69 kcal - -analytical 66.348 0.0 -4298.2 -25.271 0.0 + -analytical 66.348 0 -4298.2 -25.271 0 -Montmorillonite-Ca 63 - Ca0.165Al2.33Si3.67O10(OH)2 + 12H2O = 0.165Ca+2 + 2.33Al(OH)4- + 3.67H4SiO4 + 2H+ - log_k -45.027 +Montmorillonite-Ca 63 + Ca0.165Al2.33Si3.67O10(OH)2 + 12 H2O = 0.165 Ca+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H+ + log_k -45.027 delta_h 58.373 kcal -Halite 64 - NaCl = Na+ + Cl- - log_k 1.582 +Halite 64 + NaCl = Na+ + Cl- + log_k 1.582 delta_h 0.918 kcal -Thenardite 65 - Na2SO4 = 2Na+ + SO4-2 - log_k -0.179 +Thenardite 65 + Na2SO4 = 2 Na+ + SO4-2 + log_k -0.179 delta_h -0.572 kcal -Mirabilite 66 - Na2SO4:10H2O = 2Na+ + SO4-2 + 10H2O - log_k -1.114 +Mirabilite 66 + Na2SO4:10H2O = 2 Na+ + SO4-2 + 10 H2O + log_k -1.114 delta_h 18.987 kcal -Mackinawite 67 - FeS + H+ = Fe+2 + HS- - log_k -4.648 +Mackinawite 67 + FeS + H+ = Fe+2 + HS- + log_k -4.648 -Siderite 94 - FeCO3 = Fe+2 + CO3-2 - log_k -10.89 +Siderite 94 + FeCO3 = Fe+2 + CO3-2 + log_k -10.89 delta_h -2.48 kcal -Hydroxyapatite 95 - Ca5(PO4)3OH + 4H+ = 5Ca+2 + 3HPO4-2 + H2O - log_k -3.421 +Hydroxyapatite 95 + Ca5(PO4)3OH + 4 H+ = 5 Ca+2 + 3 HPO4-2 + H2O + log_k -3.421 delta_h -36.155 kcal -Fluorapatite 96 - Ca5(PO4)3F + 3H+ = 5Ca+2 + 3HPO4-2 + F- - log_k -17.6 - delta_h -20.070 kcal +Fluorapatite 96 + Ca5(PO4)3F + 3 H+ = 5 Ca+2 + 3 HPO4-2 + F- + log_k -17.6 + delta_h -20.07 kcal -Chalcedony 97 - SiO2 + 2H2O = H4SiO4 - log_k -3.55 +Chalcedony 97 + SiO2 + 2 H2O = H4SiO4 + log_k -3.55 delta_h 4.72 kcal - -analytical -0.09 0.0 -1032.0 0.0 0.0 + -analytical -0.09 0 -1032 0 0 -Magadiite 98 - NaSi7O13(OH)3:3H2O + H+ + 9H2O = Na+ + 7H4SiO4 - log_k -14.3 +Magadiite 98 + NaSi7O13(OH)3:3H2O + H+ + 9 H2O = Na+ + 7 H4SiO4 + log_k -14.3 -Cristobalite 99 - SiO2 + 2H2O = H4SiO4 - log_k -3.587 +Cristobalite 99 + SiO2 + 2 H2O = H4SiO4 + log_k -3.587 delta_h 5.5 kcal -Silicagel 100 - SiO2 + 2H2O = H4SiO4 - log_k -3.018 - delta_h 4.440 kcal +Silicagel 100 + SiO2 + 2 H2O = H4SiO4 + log_k -3.018 + delta_h 4.44 kcal -Quartz 101 - SiO2 + 2H2O = H4SiO4 - log_k -3.98 +Quartz 101 + SiO2 + 2 H2O = H4SiO4 + log_k -3.98 delta_h 5.99 kcal - -analytical 0.41 0.0 -1309.0 0.0 0.0 + -analytical 0.41 0 -1309 0 0 -Vivianite 106 - Fe3(PO4)2:8H2O = 3Fe+2 + 2PO4-3 + 8H2O - log_k -36.0 +Vivianite 106 + Fe3(PO4)2:8H2O = 3 Fe+2 + 2 PO4-3 + 8 H2O + log_k -36 -Magnetite 107 - Fe3O4 + 8H+ = 2Fe+3 + Fe+2 + 4H2O - log_k 3.737 - delta_h -50.460 kcal +Magnetite 107 + Fe3O4 + 8 H+ = 2 Fe+3 + Fe+2 + 4 H2O + log_k 3.737 + delta_h -50.46 kcal -Hematite 108 - Fe2O3 + 6H+ = 2Fe+3 + 3H2O - log_k -4.008 +Hematite 108 + Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O + log_k -4.008 delta_h -30.845 kcal -Maghemite 109 - Fe2O3 + 6H+ = 2Fe+3 + 3H2O - log_k 6.386 +Maghemite 109 + Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O + log_k 6.386 -Goethite 110 - FeOOH + 3H+ = Fe+3 + 2H2O - log_k -1.0 - delta_h -14.48 kcal +Goethite 110 + FeOOH + 3 H+ = Fe+3 + 2 H2O + log_k -1 + delta_h -14.48 kcal -Greenalite 111 - Fe3Si2O5(OH)4 + 6H+ = 3Fe+2 + 2 H4SiO4 + H2O - log_k 20.810 +Greenalite 111 + Fe3Si2O5(OH)4 + 6 H+ = 3 Fe+2 + 2 H4SiO4 + H2O + log_k 20.81 -Fe(OH)3(a) 112 - Fe(OH)3 + 3H+ = Fe+3 + 3H2O - log_k 4.891 +Fe(OH)3(a) 112 + Fe(OH)3 + 3 H+ = Fe+3 + 3 H2O + log_k 4.891 -Annite 113 - KFe3AlSi3O10(OH)2 + 10H2O = K+ + 3Fe+2 + Al(OH)4- + 3H4SiO4 + 6OH- - log_k -85.645 - delta_h 62.480 kcal +Annite 113 + KFe3AlSi3O10(OH)2 + 10 H2O = K+ + 3 Fe+2 + Al(OH)4- + 3 H4SiO4 + 6 OH- + log_k -85.645 + delta_h 62.48 kcal -Pyrite 114 - FeS2 + 2H+ + 2e- = Fe+2 + 2HS- - log_k -18.479 +Pyrite 114 + FeS2 + 2 H+ + 2 e- = Fe+2 + 2 HS- + log_k -18.479 delta_h 11.3 kcal -Montmorillonite-BelleFourche 115 - (HNaK)0.09Mg0.29Fe0.24Al1.57Si3.93O10(OH)2 + 10H2O = 0.09H+ + 0.09Na+ + 0.09K+ + 0.29Mg+2 + 0.24Fe+3 + 1.57Al(OH)4- + 3.93H4SiO4 - log_k -34.913 +Montmorillonite-BelleFourche 115 + (HNaK)0.09Mg0.29Fe0.24Al1.57Si3.93O10(OH)2 + 10 H2O = 0.09 H+ + 0.09 Na+ + 0.09 K+ + 0.29 Mg+2 + 0.24 Fe+3 + 1.57 Al(OH)4- + 3.93 H4SiO4 + log_k -34.913 -Montmorillonite-Aberdeen 116 - (HNaK)0.14Mg0.45Fe0.33Al1.47Si3.82O10(OH)2 + 9.16H2O + 0.84H+ = 0.14H+ + 0.14Na+ + 0.14K+ + 0.45Mg+2 + 0.33Fe+3 + 1.47Al(OH)4- + 3.82H4SiO4 - log_k -29.688 +Montmorillonite-Aberdeen 116 + (HNaK)0.14Mg0.45Fe0.33Al1.47Si3.82O10(OH)2 + 9.16 H2O + 0.84 H+ = 0.14 H+ + 0.14 Na+ + 0.14 K+ + 0.45 Mg+2 + 0.33 Fe+3 + 1.47 Al(OH)4- + 3.82 H4SiO4 + log_k -29.688 -Huntite 117 - CaMg3(CO3)4 = 3Mg+2 + Ca+2 + 4CO3-2 - log_k -29.968 - delta_h -25.760 kcal +Huntite 117 + CaMg3(CO3)4 = 3 Mg+2 + Ca+2 + 4 CO3-2 + log_k -29.968 + delta_h -25.76 kcal -Greigite 118 - Fe3S4 + 4H+ = 2Fe+3 + Fe+2 + 4HS- - log_k -45.035 +Greigite 118 + Fe3S4 + 4 H+ = 2 Fe+3 + Fe+2 + 4 HS- + log_k -45.035 -FeS(ppt) 119 - FeS + H+ = Fe+2 + HS- - log_k -3.915 +FeS(ppt) 119 + FeS + H+ = Fe+2 + HS- + log_k -3.915 -Chlorite7A 125 - Mg5Al2Si3O10(OH)8 + 16H+ = 5Mg+2 + 2Al+3 +3H4SiO4 + 6H2O - log_k 71.752 +Chlorite7A 125 + Mg5Al2Si3O10(OH)8 + 16 H+ = 5 Mg+2 + 2 Al+3 + 3 H4SiO4 + 6 H2O + log_k 71.752 delta_h -155.261 kcal -Laumontite 128 - CaAl2Si4O12:4H2O + 8H2O = Ca+2 + 2Al(OH)4- + 4H4SiO4 - log_k -30.960 - delta_h 39.610 kcal +Laumontite 128 + CaAl2Si4O12:4H2O + 8 H2O = Ca+2 + 2 Al(OH)4- + 4 H4SiO4 + log_k -30.96 + delta_h 39.61 kcal -Jarosite(ss) 133 - (K0.77Na0.03H0.2)Fe3(SO4)2(OH)6 + 5.8H+ = 0.77K+ + 0.03Na+ + 3Fe+3 + 2SO4-2 + 6H2O - log_k -9.83 # WATEQ4F, Alpers and others, 1989 +Jarosite(ss) 133 + (K0.77Na0.03H0.2)Fe3(SO4)2(OH)6 + 5.8 H+ = 0.77 K+ + 0.03 Na+ + 3 Fe+3 + 2 SO4-2 + 6 H2O + log_k -9.83 # WATEQ4F, Alpers and others, 1989 -Mn2(SO4)3 134 - Mn2(SO4)3 = 2Mn+3 + 3SO4-2 - log_k -5.711 - delta_h -39.060 kcal +Mn2(SO4)3 134 + Mn2(SO4)3 = 2 Mn+3 + 3 SO4-2 + log_k -5.711 + delta_h -39.06 kcal -Al(OH)3(a) 140 - Al(OH)3 + 3H+ = Al+3 + 3H2O - log_k 10.8 +Al(OH)3(a) 140 + Al(OH)3 + 3 H+ = Al+3 + 3 H2O + log_k 10.8 delta_h -26.5 kcal -Prehnite 141 - Ca2Al2Si3O10(OH)2 + 8H2O + 2H+ = 2Ca+2 + 2Al(OH)4- + 3H4SiO4 - log_k -11.695 - delta_h 10.390 kcal +Prehnite 141 + Ca2Al2Si3O10(OH)2 + 8 H2O + 2 H+ = 2 Ca+2 + 2 Al(OH)4- + 3 H4SiO4 + log_k -11.695 + delta_h 10.39 kcal -Strontianite 142 - SrCO3 = Sr+2 + CO3-2 - log_k -9.271 +Strontianite 142 + SrCO3 = Sr+2 + CO3-2 + log_k -9.271 delta_h -0.4 kcal - -analytical 155.0305 0.0 -7239.594 -56.58638 0.0 + -analytical 155.0305 0 -7239.594 -56.58638 0 -Celestite 143 - SrSO4 = Sr+2 + SO4-2 - log_k -6.63 +Celestite 143 + SrSO4 = Sr+2 + SO4-2 + log_k -6.63 delta_h -1.037 kcal - -analytical -14805.9622 -2.4660924 756968.533 5436.3588 -40553604. + -analytical -14805.9622 -2.4660924 756968.533 5436.3588 -40553604 -Barite 144 - BaSO4 = Ba+2 + SO4-2 - log_k -9.97 +Barite 144 + BaSO4 = Ba+2 + SO4-2 + log_k -9.97 delta_h 6.35 kcal - -analytical 136.035 0.0 -7680.41 -48.595 0.0 + -analytical 136.035 0 -7680.41 -48.595 0 -Witherite 145 - BaCO3 = Ba+2 + CO3-2 - log_k -8.562 +Witherite 145 + BaCO3 = Ba+2 + CO3-2 + log_k -8.562 delta_h 0.703 kcal - -analytical 607.642 0.121098 -20011.25 -236.4948 0.0 + -analytical 607.642 0.121098 -20011.25 -236.4948 0 -Strengite 146 - FePO4:2H2O = Fe+3 + PO4-3 + 2H2O - log_k -26.4 - delta_h -2.030 kcal +Strengite 146 + FePO4:2H2O = Fe+3 + PO4-3 + 2 H2O + log_k -26.4 + delta_h -2.03 kcal -Leonhardite 147 - Ca2Al4Si8O24:7H2O + 17H2O = 2Ca+2 + 4Al(OH)4- + 8H4SiO4 - log_k -69.756 - delta_h 90.070 kcal +Leonhardite 147 + Ca2Al4Si8O24:7H2O + 17 H2O = 2 Ca+2 + 4 Al(OH)4- + 8 H4SiO4 + log_k -69.756 + delta_h 90.07 kcal -Nesquehonite 149 - MgCO3:3H2O = Mg+2 + CO3-2 + 3H2O - log_k -5.621 +Nesquehonite 149 + MgCO3:3H2O = Mg+2 + CO3-2 + 3 H2O + log_k -5.621 delta_h -5.789 kcal -Artinite 150 - MgCO3:Mg(OH)2:3H2O + 2H+ = 2Mg+2 + CO3-2 + 5H2O - log_k 9.6 +Artinite 150 + MgCO3:Mg(OH)2:3H2O + 2 H+ = 2 Mg+2 + CO3-2 + 5 H2O + log_k 9.6 delta_h -28.742 kcal -Sepiolite(d) 153 - Mg2Si3O7.5OH:3H2O+0.5H2O+4H+=2Mg+2 +3H4SiO4 - log_k 18.66 +Sepiolite(d) 153 + Mg2Si3O7.5OH:3H2O + 0.5 H2O + 4 H+ = 2 Mg+2 + 3 H4SiO4 + log_k 18.66 -Diaspore 154 - AlOOH + 3H+ = Al+3 + 2H2O - log_k 6.879 +Diaspore 154 + AlOOH + 3 H+ = Al+3 + 2 H2O + log_k 6.879 delta_h -24.681 kcal -Wairakite 155 - CaAl2Si4O12:2H2O + 10H2O = Ca+2 + 2Al(OH)4- + 4H4SiO4 - log_k -26.708 - delta_h 26.140 kcal +Wairakite 155 + CaAl2Si4O12:2H2O + 10 H2O = Ca+2 + 2 Al(OH)4- + 4 H4SiO4 + log_k -26.708 + delta_h 26.14 kcal -Fe(OH)2.7Cl.3 181 - Fe(OH)2.7Cl0.3 + 2.7H+ = Fe+3 + 2.7H2O + 0.3 Cl- - log_k -3.040 +Fe(OH)2.7Cl.3 181 + Fe(OH)2.7Cl0.3 + 2.7 H+ = Fe+3 + 2.7 H2O + 0.3 Cl- + log_k -3.04 -MnSO4 182 - MnSO4 = Mn+2 + SO4-2 - log_k 2.669 - delta_h -15.480 kcal +MnSO4 182 + MnSO4 = Mn+2 + SO4-2 + log_k 2.669 + delta_h -15.48 kcal -Pyrolusite 183 - MnO2 + 4H+ + 2e- = Mn+2 + 2H2O - log_k 41.38 +Pyrolusite 183 + MnO2 + 4 H+ + 2 e- = Mn+2 + 2 H2O + log_k 41.38 delta_h -65.11 kcal -Birnessite 184 - MnO2 + 4H+ + 2e- = Mn+2 + 2H2O - log_k 43.601 +Birnessite 184 + MnO2 + 4 H+ + 2 e- = Mn+2 + 2 H2O + log_k 43.601 -Nsutite 185 - MnO2 + 4H+ + 2e- = Mn+2 + 2H2O - log_k 42.564 +Nsutite 185 + MnO2 + 4 H+ + 2 e- = Mn+2 + 2 H2O + log_k 42.564 -Bixbyite 186 - Mn2O3 + 6H+ = 2Mn+3 + 3H2O - log_k -0.611 +Bixbyite 186 + Mn2O3 + 6 H+ = 2 Mn+3 + 3 H2O + log_k -0.611 delta_h -15.245 kcal -Hausmannite 187 - Mn3O4 + 8H+ + 2e- = 3Mn+2 + 4H2O - log_k 61.03 +Hausmannite 187 + Mn3O4 + 8 H+ + 2 e- = 3 Mn+2 + 4 H2O + log_k 61.03 delta_h -100.64 kcal -Pyrochroite 188 - Mn(OH)2 + 2H+ = Mn+2 + 2H2O - log_k 15.2 - -Manganite 189 - MnOOH + 3H+ + e- = Mn+2 + 2H2O - log_k 25.340 - -Rhodochrosite(d) 190 - MnCO3 = Mn+2 + CO3-2 - log_k -10.390 - -MnCl2:4H2O 191 - MnCl2:4H2O = Mn+2 + 2Cl- + 4H2O - log_k 2.710 - delta_h 17.380 kcal - -MnS(Green) 192 - MnS + H+ = Mn+2 + HS- - log_k 3.8 - delta_h -5.790 kcal - -Mn3(PO4)2 193 - Mn3(PO4)2 = 3Mn+2 + 2PO4-3 - log_k -23.827 - delta_h 2.120 kcal - -MnHPO4 194 - MnHPO4 = Mn+2 + HPO4-2 - log_k -12.947 - -Jarosite-Na 204 - NaFe3(SO4)2(OH)6 + 6H+ = Na+ + 3Fe+3 + 2SO4-2 + 6H2O - log_k -5.280 - delta_h -36.180 kcal - -Jarosite-K 205 - KFe3(SO4)2(OH)6 + 6H+ = K+ + 3Fe+3 + 2SO4-2 + 6H2O - log_k -9.21 +Pyrochroite 188 + Mn(OH)2 + 2 H+ = Mn+2 + 2 H2O + log_k 15.2 + +Manganite 189 + MnOOH + 3 H+ + e- = Mn+2 + 2 H2O + log_k 25.34 + +Rhodochrosite(d) 190 + MnCO3 = Mn+2 + CO3-2 + log_k -10.39 + +MnCl2:4H2O 191 + MnCl2:4H2O = Mn+2 + 2 Cl- + 4 H2O + log_k 2.71 + delta_h 17.38 kcal + +MnS(Green) 192 + MnS + H+ = Mn+2 + HS- + log_k 3.8 + delta_h -5.79 kcal + +Mn3(PO4)2 193 + Mn3(PO4)2 = 3 Mn+2 + 2 PO4-3 + log_k -23.827 + delta_h 2.12 kcal + +MnHPO4 194 + MnHPO4 = Mn+2 + HPO4-2 + log_k -12.947 + +Jarosite-Na 204 + NaFe3(SO4)2(OH)6 + 6 H+ = Na+ + 3 Fe+3 + 2 SO4-2 + 6 H2O + log_k -5.28 + delta_h -36.18 kcal + +Jarosite-K 205 + KFe3(SO4)2(OH)6 + 6 H+ = K+ + 3 Fe+3 + 2 SO4-2 + 6 H2O + log_k -9.21 delta_h -31.28 kcal -CuMetal 223 - Cu = Cu+ + e- - log_k -8.760 - delta_h 17.130 kcal +CuMetal 223 + Cu = Cu+ + e- + log_k -8.76 + delta_h 17.13 kcal -Nantokite 224 - CuCl = Cu+ + Cl- - log_k -6.760 - delta_h 9.980 kcal +Nantokite 224 + CuCl = Cu+ + Cl- + log_k -6.76 + delta_h 9.98 kcal -CuF 225 - CuF = Cu+ + F- - log_k 7.080 - delta_h -12.370 kcal +CuF 225 + CuF = Cu+ + F- + log_k 7.08 + delta_h -12.37 kcal -Cuprite 226 - Cu2O + 2H+ = 2Cu+ + H2O - log_k -1.550 +Cuprite 226 + Cu2O + 2 H+ = 2 Cu+ + H2O + log_k -1.55 delta_h 6.245 kcal -Chalcocite 227 - Cu2S + H+ = 2Cu+ + HS- - log_k -34.619 - delta_h 49.350 kcal +Chalcocite 227 + Cu2S + H+ = 2 Cu+ + HS- + log_k -34.619 + delta_h 49.35 kcal -Cu2SO4 228 - Cu2SO4 = 2Cu+ + SO4-2 - log_k -1.950 - delta_h -4.560 kcal +Cu2SO4 228 + Cu2SO4 = 2 Cu+ + SO4-2 + log_k -1.95 + delta_h -4.56 kcal -CuprousFerrite 229 - CuFeO2 + 4H+ = Cu+ + Fe+3 + 2H2O - log_k -8.920 +CuprousFerrite 229 + CuFeO2 + 4 H+ = Cu+ + Fe+3 + 2 H2O + log_k -8.92 delta_h -3.8 kcal -Melanothallite 230 - CuCl2 = Cu+2 + 2Cl- - log_k 3.730 - delta_h -12.320 kcal - -CuCO3 231 - CuCO3 = Cu+2 + CO3-2 - log_k -9.630 - -CuF2 232 - CuF2 = Cu+2 + 2F- - log_k -0.620 - delta_h -13.320 kcal - -CuF2:2H2O 233 - CuF2:2H2O = Cu+2 + 2F- + 2H2O - log_k -4.550 - delta_h -3.650 kcal - -Cu(OH)2 234 - Cu(OH)2 + 2H+ = Cu+2 + 2H2O - log_k 8.640 - delta_h -15.250 kcal - -Malachite 235 - Cu2(OH)2CO3 + 3H+ = 2Cu+2 + 2H2O + HCO3- - log_k 5.150 - delta_h -19.760 kcal - -Azurite 236 - Cu3(OH)2(CO3)2 + 4H+ = 3Cu+2 + 2H2O + 2HCO3- - log_k 3.750 - delta_h -30.870 kcal - -Atacamite 237 - Cu2(OH)3Cl + 3H+ = 2Cu+2 + 3H2O + Cl- - log_k 7.340 - delta_h -18.690 kcal - -Cu2(OH)3NO3 238 - Cu2(OH)3NO3 + 3H+ = 2Cu+2 + 3H2O + NO3- - log_k 9.240 - delta_h -17.350 kcal - -Antlerite 239 - Cu3(OH)4SO4 + 4H+ = 3Cu+2 + 4H2O + SO4-2 - log_k 8.290 - -Brochantite 240 - Cu4(OH)6SO4 + 6H+ = 4Cu+2 + 6H2O + SO4-2 - log_k 15.340 - -Langite 241 - Cu4(OH)6SO4:H2O + 6H+ = 4Cu+2 + 7H2O + SO4-2 - log_k 16.790 - delta_h -39.610 kcal - -Tenorite 242 - CuO + 2H+ = Cu+2 + H2O - log_k 7.620 - delta_h -15.240 kcal - -CuOCuSO4 243 - CuO:CuSO4 + 2H+ = 2Cu+2 + H2O + SO4-2 - log_k 11.530 +Melanothallite 230 + CuCl2 = Cu+2 + 2 Cl- + log_k 3.73 + delta_h -12.32 kcal + +CuCO3 231 + CuCO3 = Cu+2 + CO3-2 + log_k -9.63 + +CuF2 232 + CuF2 = Cu+2 + 2 F- + log_k -0.62 + delta_h -13.32 kcal + +CuF2:2H2O 233 + CuF2:2H2O = Cu+2 + 2 F- + 2 H2O + log_k -4.55 + delta_h -3.65 kcal + +Cu(OH)2 234 + Cu(OH)2 + 2 H+ = Cu+2 + 2 H2O + log_k 8.64 + delta_h -15.25 kcal + +Malachite 235 + Cu2(OH)2CO3 + 3 H+ = 2 Cu+2 + 2 H2O + HCO3- + log_k 5.15 + delta_h -19.76 kcal + +Azurite 236 + Cu3(OH)2(CO3)2 + 4 H+ = 3 Cu+2 + 2 H2O + 2 HCO3- + log_k 3.75 + delta_h -30.87 kcal + +Atacamite 237 + Cu2(OH)3Cl + 3 H+ = 2 Cu+2 + 3 H2O + Cl- + log_k 7.34 + delta_h -18.69 kcal + +Cu2(OH)3NO3 238 + Cu2(OH)3NO3 + 3 H+ = 2 Cu+2 + 3 H2O + NO3- + log_k 9.24 + delta_h -17.35 kcal + +Antlerite 239 + Cu3(OH)4SO4 + 4 H+ = 3 Cu+2 + 4 H2O + SO4-2 + log_k 8.29 + +Brochantite 240 + Cu4(OH)6SO4 + 6 H+ = 4 Cu+2 + 6 H2O + SO4-2 + log_k 15.34 + +Langite 241 + Cu4(OH)6SO4:H2O + 6 H+ = 4 Cu+2 + 7 H2O + SO4-2 + log_k 16.79 + delta_h -39.61 kcal + +Tenorite 242 + CuO + 2 H+ = Cu+2 + H2O + log_k 7.62 + delta_h -15.24 kcal + +CuOCuSO4 243 + CuO:CuSO4 + 2 H+ = 2 Cu+2 + H2O + SO4-2 + log_k 11.53 delta_h -35.575 kcal -Cu3(PO4)2 244 - Cu3(PO4)2 = 3Cu+2 + 2PO4-3 - log_k -36.850 - -Cu3(PO4)2:3H2O 245 - Cu3(PO4)2:3H2O = 3Cu+2 + 2PO4-3 + 3H2O - log_k -35.120 - -Covellite 246 - CuS + H+ = Cu+2 + HS- - log_k -22.270 - delta_h 24.010 kcal - -CuSO4 247 - CuSO4 = Cu+2 + SO4-2 - log_k 3.010 - delta_h -18.140 kcal - -Chalcanthite 248 - CuSO4:5H2O = Cu+2 + SO4-2 + 5H2O - log_k -2.640 - delta_h 1.440 kcal - -CupricFerrite 249 - CuFe2O4 + 8H+ = Cu+2 + 2Fe+3 + 4H2O - log_k 5.880 - delta_h -38.690 kcal - -Chalcopyrite 250 - CuFeS2 + 2H+ = Cu+2 + Fe+2 + 2HS- - log_k -35.270 - delta_h 35.480 kcal - -ZnMetal 265 - Zn = Zn+2 + 2e- - log_k 25.757 - delta_h -36.780 kcal - -Zn(BO2)2 266 - Zn(BO2)2 + 2H2O + 2H+ = Zn+2 + 2H3BO3 - log_k 8.290 - -ZnCl2 267 - ZnCl2 = Zn+2 + 2Cl- - log_k 7.030 - delta_h -17.480 kcal - -Smithsonite 268 - ZnCO3 = Zn+2 + CO3-2 - log_k -10.0 +Cu3(PO4)2 244 + Cu3(PO4)2 = 3 Cu+2 + 2 PO4-3 + log_k -36.85 + +Cu3(PO4)2:3H2O 245 + Cu3(PO4)2:3H2O = 3 Cu+2 + 2 PO4-3 + 3 H2O + log_k -35.12 + +Covellite 246 + CuS + H+ = Cu+2 + HS- + log_k -22.27 + delta_h 24.01 kcal + +CuSO4 247 + CuSO4 = Cu+2 + SO4-2 + log_k 3.01 + delta_h -18.14 kcal + +Chalcanthite 248 + CuSO4:5H2O = Cu+2 + SO4-2 + 5 H2O + log_k -2.64 + delta_h 1.44 kcal + +CupricFerrite 249 + CuFe2O4 + 8 H+ = Cu+2 + 2 Fe+3 + 4 H2O + log_k 5.88 + delta_h -38.69 kcal + +Chalcopyrite 250 + CuFeS2 + 2 H+ = Cu+2 + Fe+2 + 2 HS- + log_k -35.27 + delta_h 35.48 kcal + +ZnMetal 265 + Zn = Zn+2 + 2 e- + log_k 25.757 + delta_h -36.78 kcal + +Zn(BO2)2 266 + Zn(BO2)2 + 2 H2O + 2 H+ = Zn+2 + 2 H3BO3 + log_k 8.29 + +ZnCl2 267 + ZnCl2 = Zn+2 + 2 Cl- + log_k 7.03 + delta_h -17.48 kcal + +Smithsonite 268 + ZnCO3 = Zn+2 + CO3-2 + log_k -10 delta_h -4.36 kcal -ZnCO3:H2O 269 - ZnCO3:H2O = Zn+2 + CO3-2 + H2O - log_k -10.260 - -ZnF2 270 - ZnF2 = Zn+2 + 2F- - log_k -1.520 - delta_h -13.080 kcal - -Zn(OH)2-a 271 - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 12.450 - -Zn(OH)2-c 272 - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 12.2 - -Zn(OH)2-b 273 - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 11.750 - -Zn(OH)2-g 274 - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 11.710 - -Zn(OH)2-e 275 - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 11.5 - -Zn2(OH)3Cl 276 - Zn2(OH)3Cl + 3H+= 2Zn+2 + 3H2O + Cl- - log_k 15.2 - -Zn5(OH)8Cl2 277 - Zn5(OH)8Cl2 + 8H+ = 5Zn+2 + 8H2O + 2Cl- - log_k 38.5 - -Zn2(OH)2SO4 278 - Zn2(OH)2SO4 + 2H+ = 2Zn+2 + 2H2O + SO4-2 - log_k 7.5 - -Zn4(OH)6SO4 279 - Zn4(OH)6SO4 + 6H+ = 4Zn+2 + 6H2O + SO4-2 - log_k 28.4 - -Zn(NO3)2:6H2O 280 - Zn(NO3)2:6H2O = Zn+2 + 2NO3- + 6H2O - log_k 3.440 - delta_h 5.510 kcal - -ZnO(a) 281 - ZnO + 2H+ = Zn+2 + H2O - log_k 11.310 - -Zincite(c) 282 - ZnO + 2H+ = Zn+2 + H2O - log_k 11.140 - delta_h -21.860 kcal - -Zn3O(SO4)2 283 - ZnO:2ZnSO4 + 2H+ = 3Zn+2 + 2SO4-2 + H2O - log_k 19.020 - delta_h -62.0 kcal - -Zn3(PO4)2:4w 284 - Zn3(PO4)2:4H2O = 3Zn+2 + 2PO4-3 + 4H2O - log_k -32.040 - -ZnS(a) 285 - ZnS + H+ = Zn+2 + HS- - log_k -9.052 - delta_h 3.670 kcal - -Sphalerite 286 - ZnS + H+ = Zn+2 + HS- - log_k -11.618 +ZnCO3:H2O 269 + ZnCO3:H2O = Zn+2 + CO3-2 + H2O + log_k -10.26 + +ZnF2 270 + ZnF2 = Zn+2 + 2 F- + log_k -1.52 + delta_h -13.08 kcal + +Zn(OH)2-a 271 + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 12.45 + +Zn(OH)2-c 272 + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 12.2 + +Zn(OH)2-b 273 + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 11.75 + +Zn(OH)2-g 274 + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 11.71 + +Zn(OH)2-e 275 + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 11.5 + +Zn2(OH)3Cl 276 + Zn2(OH)3Cl + 3 H+ = 2 Zn+2 + 3 H2O + Cl- + log_k 15.2 + +Zn5(OH)8Cl2 277 + Zn5(OH)8Cl2 + 8 H+ = 5 Zn+2 + 8 H2O + 2 Cl- + log_k 38.5 + +Zn2(OH)2SO4 278 + Zn2(OH)2SO4 + 2 H+ = 2 Zn+2 + 2 H2O + SO4-2 + log_k 7.5 + +Zn4(OH)6SO4 279 + Zn4(OH)6SO4 + 6 H+ = 4 Zn+2 + 6 H2O + SO4-2 + log_k 28.4 + +Zn(NO3)2:6H2O 280 + Zn(NO3)2:6H2O = Zn+2 + 2 NO3- + 6 H2O + log_k 3.44 + delta_h 5.51 kcal + +ZnO(a) 281 + ZnO + 2 H+ = Zn+2 + H2O + log_k 11.31 + +Zincite(c) 282 + ZnO + 2 H+ = Zn+2 + H2O + log_k 11.14 + delta_h -21.86 kcal + +Zn3O(SO4)2 283 + ZnO:2ZnSO4 + 2 H+ = 3 Zn+2 + 2 SO4-2 + H2O + log_k 19.02 + delta_h -62 kcal + +Zn3(PO4)2:4w 284 + Zn3(PO4)2:4H2O = 3 Zn+2 + 2 PO4-3 + 4 H2O + log_k -32.04 + +ZnS(a) 285 + ZnS + H+ = Zn+2 + HS- + log_k -9.052 + delta_h 3.67 kcal + +Sphalerite 286 + ZnS + H+ = Zn+2 + HS- + log_k -11.618 delta_h 8.25 kcal -Wurtzite 287 - ZnS + H+ = Zn+2 + HS- - log_k -9.682 - delta_h 5.060 kcal +Wurtzite 287 + ZnS + H+ = Zn+2 + HS- + log_k -9.682 + delta_h 5.06 kcal -ZnSiO3 288 - ZnSiO3 + 2H+ + H2O = Zn+2 + H4SiO4 - log_k 2.930 - delta_h -18.270 kcal +ZnSiO3 288 + ZnSiO3 + 2 H+ + H2O = Zn+2 + H4SiO4 + log_k 2.93 + delta_h -18.27 kcal -Willemite 289 - Zn2SiO4 + 4H+ = 2Zn+2 + H4SiO4 - log_k 15.33 +Willemite 289 + Zn2SiO4 + 4 H+ = 2 Zn+2 + H4SiO4 + log_k 15.33 delta_h -33.37 kcal -Zincosite 290 - ZnSO4 = Zn+2 + SO4-2 - log_k 3.010 +Zincosite 290 + ZnSO4 = Zn+2 + SO4-2 + log_k 3.01 delta_h -19.2 kcal -ZnSO4:H2O 291 - ZnSO4:H2O = Zn+2 + SO4-2 + H2O - log_k -0.570 - delta_h -10.640 kcal +ZnSO4:H2O 291 + ZnSO4:H2O = Zn+2 + SO4-2 + H2O + log_k -0.57 + delta_h -10.64 kcal -Bianchite 292 - ZnSO4:6H2O = Zn+2 + SO4-2 + 6H2O - log_k -1.765 - delta_h -0.160 kcal +Bianchite 292 + ZnSO4:6H2O = Zn+2 + SO4-2 + 6 H2O + log_k -1.765 + delta_h -0.16 kcal -Goslarite 293 - ZnSO4:7H2O = Zn+2 + SO4-2 + 7H2O - log_k -1.960 +Goslarite 293 + ZnSO4:7H2O = Zn+2 + SO4-2 + 7 H2O + log_k -1.96 delta_h 3.3 kcal -CdMetal 312 - Cd = Cd+2 + 2e- - log_k 13.490 - delta_h -18.0 kcal +CdMetal 312 + Cd = Cd+2 + 2 e- + log_k 13.49 + delta_h -18 kcal -Cd(gamma) 313 - Cd = Cd+2 + 2e- - log_k 13.590 - delta_h -18.140 kcal +Cd(gamma) 313 + Cd = Cd+2 + 2 e- + log_k 13.59 + delta_h -18.14 kcal -Cd(BO2)2 314 - Cd(BO2)2 + 2H2O + 2H+ = Cd+2 + 2H3BO3 - log_k 9.840 +Cd(BO2)2 314 + Cd(BO2)2 + 2 H2O + 2 H+ = Cd+2 + 2 H3BO3 + log_k 9.84 -Otavite 315 - CdCO3 = Cd+2 + CO3-2 - log_k -12.1 +Otavite 315 + CdCO3 = Cd+2 + CO3-2 + log_k -12.1 delta_h -0.019 kcal -CdCl2 316 - CdCl2 = Cd+2 + 2Cl- - log_k -0.68 +CdCl2 316 + CdCl2 = Cd+2 + 2 Cl- + log_k -0.68 delta_h -4.47 kcal -CdCl2:H2O 317 - CdCl2:H2O = Cd+2 + 2Cl- + H2O - log_k -1.71 +CdCl2:H2O 317 + CdCl2:H2O = Cd+2 + 2 Cl- + H2O + log_k -1.71 delta_h -1.82 kcal -CdCl2:2.5H2O 318 - CdCl2:2.5H2O = Cd+2 + 2Cl- + 2.5H2O - log_k -1.940 - delta_h 1.710 kcal +CdCl2:2.5H2O 318 + CdCl2:2.5H2O = Cd+2 + 2 Cl- + 2.5 H2O + log_k -1.94 + delta_h 1.71 kcal -CdF2 319 - CdF2 = Cd+2 + 2F- - log_k -2.980 - delta_h -9.720 kcal +CdF2 319 + CdF2 = Cd+2 + 2 F- + log_k -2.98 + delta_h -9.72 kcal -Cd(OH)2(a) 320 - Cd(OH)2 + 2H+ = Cd+2 + 2H2O - log_k 13.730 - delta_h -20.770 kcal +Cd(OH)2(a) 320 + Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O + log_k 13.73 + delta_h -20.77 kcal -Cd(OH)2 321 - Cd(OH)2 + 2H+ = Cd+2 + 2H2O - log_k 13.65 +Cd(OH)2 321 + Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O + log_k 13.65 -CdOHCl 322 - CdOHCl + H+ = Cd+2 + H2O + Cl- - log_k 3.520 +CdOHCl 322 + CdOHCl + H+ = Cd+2 + H2O + Cl- + log_k 3.52 delta_h -7.407 kcal -Cd3(OH)4SO4 323 - Cd3(OH)4SO4 + 4H+ = 3Cd+2 + 4H2O + SO4-2 - log_k 22.560 +Cd3(OH)4SO4 323 + Cd3(OH)4SO4 + 4 H+ = 3 Cd+2 + 4 H2O + SO4-2 + log_k 22.56 -Cd3(OH)2(SO4)2 324 - Cd3(OH)2(SO4)2 + 2H+ = 3Cd+2 + 2H2O + 2SO4-2 - log_k 6.710 +Cd3(OH)2(SO4)2 324 + Cd3(OH)2(SO4)2 + 2 H+ = 3 Cd+2 + 2 H2O + 2 SO4-2 + log_k 6.71 -Cd4(OH)6SO4 325 - Cd4(OH)6SO4 + 6H+ = 4Cd+2 + 6H2O + SO4-2 - log_k 28.4 +Cd4(OH)6SO4 325 + Cd4(OH)6SO4 + 6 H+ = 4 Cd+2 + 6 H2O + SO4-2 + log_k 28.4 -Monteponite 326 - CdO + 2H+ = Cd+2 + H2O - log_k 13.770 - delta_h -24.760 kcal +Monteponite 326 + CdO + 2 H+ = Cd+2 + H2O + log_k 13.77 + delta_h -24.76 kcal -Cd3(PO4)2 327 - Cd3(PO4)2 = 3Cd+2 + 2PO4-3 - log_k -32.6 +Cd3(PO4)2 327 + Cd3(PO4)2 = 3 Cd+2 + 2 PO4-3 + log_k -32.6 -CdSiO3 328 - CdSiO3 + H2O + 2H+ = Cd+2 + H4SiO4 - log_k 9.06 +CdSiO3 328 + CdSiO3 + H2O + 2 H+ = Cd+2 + H4SiO4 + log_k 9.06 delta_h -16.63 kcal -CdSO4 329 - CdSO4 = Cd+2 + SO4-2 - log_k -0.1 +CdSO4 329 + CdSO4 = Cd+2 + SO4-2 + log_k -0.1 delta_h -14.74 kcal -CdSO4:H2O 330 - CdSO4:H2O = Cd+2 + SO4-2 + H2O - log_k -1.657 - delta_h -7.520 kcal +CdSO4:H2O 330 + CdSO4:H2O = Cd+2 + SO4-2 + H2O + log_k -1.657 + delta_h -7.52 kcal -CdSO4:2.7H2O 331 - CdSO4:2.67H2O = Cd+2 + SO4-2 + 2.67H2O - log_k -1.873 +CdSO4:2.7H2O 331 + CdSO4:2.67H2O = Cd+2 + SO4-2 + 2.67 H2O + log_k -1.873 delta_h -4.3 kcal -Greenockite 332 - CdS + H+ = Cd+2 + HS- - log_k -15.930 - delta_h 16.360 kcal +Greenockite 332 + CdS + H+ = Cd+2 + HS- + log_k -15.93 + delta_h 16.36 kcal -JarositeH 337 - (H3O)Fe3(SO4)2(OH)6 + 5H+ = 3Fe+3 + 2SO4-2 + 7H2O - log_k -5.390 - delta_h -55.150 kcal +JarositeH 337 + (H3O)Fe3(SO4)2(OH)6 + 5 H+ = 3 Fe+3 + 2 SO4-2 + 7 H2O + log_k -5.39 + delta_h -55.15 kcal -AlumK 338 - KAl(SO4)2:12H2O = K+ + Al+3 + 2SO4-2 + 12H2O - log_k -5.170 - delta_h 7.220 kcal +AlumK 338 + KAl(SO4)2:12H2O = K+ + Al+3 + 2 SO4-2 + 12 H2O + log_k -5.17 + delta_h 7.22 kcal -Melanterite 339 - FeSO4:7H2O = Fe+2 + SO4-2 + 7H2O - log_k -2.209 +Melanterite 339 + FeSO4:7H2O = Fe+2 + SO4-2 + 7 H2O + log_k -2.209 delta_h 4.91 kcal - -analytical 1.447 -0.004153 0.0 0.0 -214949.0 + -analytical 1.447 -0.004153 0 0 -214949 -Epsomite 340 - MgSO4:7H2O = Mg+2 + SO4-2 + 7H2O - log_k -2.140 - delta_h 2.820 kcal +Epsomite 340 + MgSO4:7H2O = Mg+2 + SO4-2 + 7 H2O + log_k -2.14 + delta_h 2.82 kcal -PbMetal 360 - Pb = Pb+2 + 2e- - log_k 4.270 +PbMetal 360 + Pb = Pb+2 + 2 e- + log_k 4.27 delta_h 0.4 kcal -Pb(BO2)2 361 - Pb(BO2)2 + 2H2O + 2H+ = Pb+2 + 2H3BO3 - log_k 7.610 +Pb(BO2)2 361 + Pb(BO2)2 + 2 H2O + 2 H+ = Pb+2 + 2 H3BO3 + log_k 7.61 delta_h -5.8 kcal -Cotunnite 362 - PbCl2 = Pb+2 + 2Cl- - log_k -4.770 +Cotunnite 362 + PbCl2 = Pb+2 + 2 Cl- + log_k -4.77 delta_h 5.6 kcal -Matlockite 363 - PbClF = Pb+2 + Cl- + F- - log_k -9.430 - delta_h 7.950 kcal +Matlockite 363 + PbClF = Pb+2 + Cl- + F- + log_k -9.43 + delta_h 7.95 kcal -Phosgenite 364 - PbCl2:PbCO3 = 2Pb+2 + 2Cl- + CO3-2 - log_k -19.810 +Phosgenite 364 + PbCl2:PbCO3 = 2 Pb+2 + 2 Cl- + CO3-2 + log_k -19.81 -Cerrusite 365 - PbCO3 = Pb+2 + CO3-2 - log_k -13.13 +Cerrusite 365 + PbCO3 = Pb+2 + CO3-2 + log_k -13.13 delta_h 4.86 kcal -PbF2 366 - PbF2 = Pb+2 + 2F- - log_k -7.440 +PbF2 366 + PbF2 = Pb+2 + 2 F- + log_k -7.44 delta_h -0.7 kcal -Massicot 367 - PbO + 2H+ = Pb+2 + H2O - log_k 12.910 - delta_h -16.780 kcal - -Litharge 368 - PbO + 2H+ = Pb+2 + H2O - log_k 12.720 - delta_h -16.380 kcal - -PbO:0.3H2O 369 - PbO:0.33H2O + 2H+ = Pb+2 + 1.33H2O - log_k 12.980 - -Pb2OCO3 370 - PbO:PbCO3 + 2H+ = 2Pb+2 + CO3-2 + H2O - log_k -0.5 - delta_h -11.460 kcal - -Larnakite 371 - PbO:PbSO4 + 2H+ = 2Pb+2 + SO4-2 + H2O - log_k -0.280 - delta_h -6.440 kcal - -Pb3O2SO4 372 - PbSO4:2PbO + 4H+ = 3Pb+2 + SO4-2 + 2H2O - log_k 10.4 - delta_h -20.750 kcal - -Pb4O3SO4 373 - PbSO4:3PbO + 6H+ = 4Pb+2 + SO4-2 + 3H2O - log_k 22.1 - delta_h -35.070 kcal - -PbHPO4 374 - PbHPO4 = Pb+2 + HPO4-2 - log_k -11.460 - delta_h 7.040 kcal - -Pb3(PO4)2 375 - Pb3(PO4)2 + 2H+ = 3Pb+2 + 2HPO4-2 - log_k -19.670 - delta_h -1.670 kcal - -Clpyromorphite 376 - Pb5(PO4)3Cl = 5Pb+2 + 3PO4-3 + Cl- - log_k -84.430 - -Hxypyromorphite 377 - Pb5(PO4)3OH + H+ = 5Pb+2 + 3PO4-3 + H2O - log_k -62.790 - -Pb3O2CO3 378 - PbCO3:2PbO + 4H+ = 3Pb+2 + CO3-2 + 2H2O - log_k 11.020 - delta_h -26.430 kcal - -Plumbogummite 379 - PbAl3(PO4)2(OH)5:H2O + 5H+ = Pb+2 + 3Al+3 + 2PO4-3 + 6H2O - log_k -32.790 - -Hinsdalite 380 - PbAl3PO4SO4(OH)6 + 6H+ = Pb+2 + 3Al+3 + PO4-3 + SO4-2 + 6H2O - log_k -2.5 - -Tsumebite 381 - Pb2CuPO4(OH)3:3H2O + 3H+ = 2Pb+2 + Cu+2 + PO4-3 + 6H2O - log_k -9.790 - -PbSiO3 382 - PbSiO3 + H2O + 2H+ = Pb+2 + H4SiO4 - log_k 7.320 - delta_h -9.260 kcal - -Pb2SiO4 383 - Pb2SiO4 + 4H+ = 2Pb+2 + H4SiO4 - log_k 19.760 - delta_h -26.0 kcal - -Anglesite 384 - PbSO4 = Pb+2 + SO4-2 - log_k -7.79 +Massicot 367 + PbO + 2 H+ = Pb+2 + H2O + log_k 12.91 + delta_h -16.78 kcal + +Litharge 368 + PbO + 2 H+ = Pb+2 + H2O + log_k 12.72 + delta_h -16.38 kcal + +PbO:0.3H2O 369 + PbO:0.33H2O + 2 H+ = Pb+2 + 1.33 H2O + log_k 12.98 + +Pb2OCO3 370 + PbO:PbCO3 + 2 H+ = 2 Pb+2 + CO3-2 + H2O + log_k -0.5 + delta_h -11.46 kcal + +Larnakite 371 + PbO:PbSO4 + 2 H+ = 2 Pb+2 + SO4-2 + H2O + log_k -0.28 + delta_h -6.44 kcal + +Pb3O2SO4 372 + PbSO4:2PbO + 4 H+ = 3 Pb+2 + SO4-2 + 2 H2O + log_k 10.4 + delta_h -20.75 kcal + +Pb4O3SO4 373 + PbSO4:3PbO + 6 H+ = 4 Pb+2 + SO4-2 + 3 H2O + log_k 22.1 + delta_h -35.07 kcal + +PbHPO4 374 + PbHPO4 = Pb+2 + HPO4-2 + log_k -11.46 + delta_h 7.04 kcal + +Pb3(PO4)2 375 + Pb3(PO4)2 + 2 H+ = 3 Pb+2 + 2 HPO4-2 + log_k -19.67 + delta_h -1.67 kcal + +Clpyromorphite 376 + Pb5(PO4)3Cl = 5 Pb+2 + 3 PO4-3 + Cl- + log_k -84.43 + +Hxypyromorphite 377 + Pb5(PO4)3OH + H+ = 5 Pb+2 + 3 PO4-3 + H2O + log_k -62.79 + +Pb3O2CO3 378 + PbCO3:2PbO + 4 H+ = 3 Pb+2 + CO3-2 + 2 H2O + log_k 11.02 + delta_h -26.43 kcal + +Plumbogummite 379 + PbAl3(PO4)2(OH)5:H2O + 5 H+ = Pb+2 + 3 Al+3 + 2 PO4-3 + 6 H2O + log_k -32.79 + +Hinsdalite 380 + PbAl3PO4SO4(OH)6 + 6 H+ = Pb+2 + 3 Al+3 + PO4-3 + SO4-2 + 6 H2O + log_k -2.5 + +Tsumebite 381 + Pb2CuPO4(OH)3:3H2O + 3 H+ = 2 Pb+2 + Cu+2 + PO4-3 + 6 H2O + log_k -9.79 + +PbSiO3 382 + PbSiO3 + H2O + 2 H+ = Pb+2 + H4SiO4 + log_k 7.32 + delta_h -9.26 kcal + +Pb2SiO4 383 + Pb2SiO4 + 4 H+ = 2 Pb+2 + H4SiO4 + log_k 19.76 + delta_h -26 kcal + +Anglesite 384 + PbSO4 = Pb+2 + SO4-2 + log_k -7.79 delta_h 2.15 kcal -Galena 385 - PbS + H+ = Pb+2 + HS- - log_k -12.780 +Galena 385 + PbS + H+ = Pb+2 + HS- + log_k -12.78 delta_h 19.4 kcal -Plattnerite 386 - PbO2 + 4H+ + 2e- = Pb+2 + 2H2O - log_k 49.3 - delta_h -70.730 kcal +Plattnerite 386 + PbO2 + 4 H+ + 2 e- = Pb+2 + 2 H2O + log_k 49.3 + delta_h -70.73 kcal -Pb2O3 387 - Pb2O3 + 6H+ + 2e- = 2Pb+2 + 3H2O - log_k 61.040 +Pb2O3 387 + Pb2O3 + 6 H+ + 2 e- = 2 Pb+2 + 3 H2O + log_k 61.04 -Minium 388 - Pb3O4 + 8H+ + 2e- = 3Pb+2 + 4H2O - log_k 73.690 - delta_h -102.760 kcal +Minium 388 + Pb3O4 + 8 H+ + 2 e- = 3 Pb+2 + 4 H2O + log_k 73.69 + delta_h -102.76 kcal -Pb(OH)2 389 - Pb(OH)2 + 2H+ = Pb+2 + 2H2O - log_k 8.15 +Pb(OH)2 389 + Pb(OH)2 + 2 H+ = Pb+2 + 2 H2O + log_k 8.15 delta_h -13.99 kcal -Laurionite 390 - PbOHCl + H+ = Pb+2 + Cl- + H2O - log_k 0.623 +Laurionite 390 + PbOHCl + H+ = Pb+2 + Cl- + H2O + log_k 0.623 -Pb2(OH)3Cl 391 - Pb2(OH)3Cl + 3H+ = 2Pb+2 + 3H2O + Cl- - log_k 8.793 +Pb2(OH)3Cl 391 + Pb2(OH)3Cl + 3 H+ = 2 Pb+2 + 3 H2O + Cl- + log_k 8.793 -Hydrocerrusite 392 - Pb(OH)2:2PbCO3 + 2H+ = 3Pb+2 + 2CO3-2 + 2H2O - log_k -17.460 +Hydrocerrusite 392 + Pb(OH)2:2PbCO3 + 2 H+ = 3 Pb+2 + 2 CO3-2 + 2 H2O + log_k -17.46 -Pb2O(OH)2 393 - PbO:Pb(OH)2 + 4H+ = 2Pb+2 + 3H2O - log_k 26.2 +Pb2O(OH)2 393 + PbO:Pb(OH)2 + 4 H+ = 2 Pb+2 + 3 H2O + log_k 26.2 -Pb4(OH)6SO4 394 - Pb4(OH)6SO4 + 6H+ = 4Pb+2 + SO4-2 + 6H2O - log_k 21.1 +Pb4(OH)6SO4 394 + Pb4(OH)6SO4 + 6 H+ = 4 Pb+2 + SO4-2 + 6 H2O + log_k 21.1 -SiO2(a) 395 - SiO2 + 2H2O = H4SiO4 - log_k -2.71 +SiO2(a) 395 + SiO2 + 2 H2O = H4SiO4 + log_k -2.71 delta_h 3.34 kcal - -analytical -0.26 0.0 -731.0 0.0 0.0 - -FCO3Apatite 396 - Ca9.316Na0.36Mg0.144(PO4)4.8(CO3)1.2F2.48 = 9.316Ca+2 + 0.36Na+ + 0.144Mg+2 + 4.8PO4-3 + 1.2CO3-2 + 2.48F- - log_k -114.4 - delta_h 39.390 kcal - -BaF2 398 - BaF2 = Ba+2 + 2F- - log_k -5.760 - delta_h 1.0 kcal - -SrF2 399 - SrF2 = Sr+2 + 2F- - log_k -8.540 - delta_h 1.250 kcal - -Dolomite 401 - CaMg(CO3)2 = Ca+2 + Mg+2 + 2CO3-2 - log_k -17.09 + -analytical -0.26 0 -731 0 0 + +FCO3Apatite 396 + Ca9.316Na0.36Mg0.144(PO4)4.8(CO3)1.2F2.48 = 9.316 Ca+2 + 0.36 Na+ + 0.144 Mg+2 + 4.8 PO4-3 + 1.2 CO3-2 + 2.48 F- + log_k -114.4 + delta_h 39.39 kcal + +BaF2 398 + BaF2 = Ba+2 + 2 F- + log_k -5.76 + delta_h 1 kcal + +SrF2 399 + SrF2 = Sr+2 + 2 F- + log_k -8.54 + delta_h 1.25 kcal + +Dolomite 401 + CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2 + log_k -17.09 delta_h -9.436 kcal -Sulfur 402 - S + 2e- = S-2 - log_k -15.026 +Sulfur 402 + S + 2 e- = S-2 + log_k -15.026 delta_h 7.9 kcal -NiCO3 410 - NiCO3 = Ni+2 + CO3-2 - log_k -6.840 - delta_h -9.940 kcal +NiCO3 410 + NiCO3 = Ni+2 + CO3-2 + log_k -6.84 + delta_h -9.94 kcal -Ni(OH)2 411 - Ni(OH)2 + 2H+ = Ni+2 + 2H2O - log_k 10.8 - delta_h 30.450 kcal +Ni(OH)2 411 + Ni(OH)2 + 2 H+ = Ni+2 + 2 H2O + log_k 10.8 + delta_h 30.45 kcal -Ni4(OH)6SO4 412 - Ni4(OH)6SO4 + 6H+ = 4Ni+2 + SO4-2 + 6H2O - log_k 32.0 +Ni4(OH)6SO4 412 + Ni4(OH)6SO4 + 6 H+ = 4 Ni+2 + SO4-2 + 6 H2O + log_k 32 -Bunsenite 413 - NiO + 2H+ = Ni+2 + H2O - log_k 12.450 - delta_h -23.920 kcal +Bunsenite 413 + NiO + 2 H+ = Ni+2 + H2O + log_k 12.45 + delta_h -23.92 kcal -Ni3(PO4)2 414 - Ni3(PO4)2 = 3Ni+2 + 2PO4-3 - log_k -31.3 +Ni3(PO4)2 414 + Ni3(PO4)2 = 3 Ni+2 + 2 PO4-3 + log_k -31.3 -Millerite 415 - NiS + H+ = Ni+2 + HS- - log_k -8.042 +Millerite 415 + NiS + H+ = Ni+2 + HS- + log_k -8.042 delta_h 2.5 kcal -Retgersite 416 - NiSO4:6H2O = Ni+2 + SO4-2 + 6H2O - log_k -2.040 +Retgersite 416 + NiSO4:6H2O = Ni+2 + SO4-2 + 6 H2O + log_k -2.04 delta_h 1.1 kcal -Morenosite 417 - NiSO4:7H2O = Ni+2 + SO4-2 + 7H2O - log_k -2.360 - delta_h 2.940 kcal +Morenosite 417 + NiSO4:7H2O = Ni+2 + SO4-2 + 7 H2O + log_k -2.36 + delta_h 2.94 kcal -Ni2SiO4 418 - Ni2SiO4 + 4H+ = 2Ni+2 + H4SiO4 - log_k 14.540 - delta_h -33.360 kcal +Ni2SiO4 418 + Ni2SiO4 + 4 H+ = 2 Ni+2 + H4SiO4 + log_k 14.54 + delta_h -33.36 kcal -Fe3(OH)8 419 - Fe3(OH)8 + 8H+ = 2Fe+3 + Fe+2 + 8H2O - log_k 20.222 +Fe3(OH)8 419 + Fe3(OH)8 + 8 H+ = 2 Fe+3 + Fe+2 + 8 H2O + log_k 20.222 -Dioptase 420 - CuSiO3:H2O + 2H+ = Cu+2 + H4SiO4 - log_k 6.5 - delta_h -8.960 kcal +Dioptase 420 + CuSiO3:H2O + 2 H+ = Cu+2 + H4SiO4 + log_k 6.5 + delta_h -8.96 kcal -AgMetal 437 - Ag = Ag+ + e- - log_k -13.510 +AgMetal 437 + Ag = Ag+ + e- + log_k -13.51 delta_h 25.234 kcal -Bromyrite 438 - AgBr = Ag+ + Br- - log_k -12.270 - delta_h 20.170 kcal +Bromyrite 438 + AgBr = Ag+ + Br- + log_k -12.27 + delta_h 20.17 kcal -Cerargyrite 439 - AgCl = Ag+ + Cl- - log_k -9.750 +Cerargyrite 439 + AgCl = Ag+ + Cl- + log_k -9.75 delta_h 15.652 kcal -Ag2CO3 440 - Ag2CO3 = 2Ag+ + CO3-2 - log_k -11.070 - delta_h 9.530 kcal - -AgF:4H2O 441 - AgF:4H2O = Ag+ + F- + 4H2O - log_k 0.550 - delta_h 4.270 kcal - -Iodyrite 442 - AgI = Ag+ + I- - log_k -16.070 - delta_h 26.820 kcal - -Ag2O 443 - Ag2O + 2H+ = 2Ag+ + H2O - log_k 12.580 - delta_h -10.430 kcal - -Ag3PO4 444 - Ag3PO4 = 3Ag+ + PO4-3 - log_k -17.550 - -Acanthite 445 - Ag2S + H+ = 2Ag+ + HS- - log_k -36.050 +Ag2CO3 440 + Ag2CO3 = 2 Ag+ + CO3-2 + log_k -11.07 + delta_h 9.53 kcal + +AgF:4H2O 441 + AgF:4H2O = Ag+ + F- + 4 H2O + log_k 0.55 + delta_h 4.27 kcal + +Iodyrite 442 + AgI = Ag+ + I- + log_k -16.07 + delta_h 26.82 kcal + +Ag2O 443 + Ag2O + 2 H+ = 2 Ag+ + H2O + log_k 12.58 + delta_h -10.43 kcal + +Ag3PO4 444 + Ag3PO4 = 3 Ag+ + PO4-3 + log_k -17.55 + +Acanthite 445 + Ag2S + H+ = 2 Ag+ + HS- + log_k -36.05 delta_h 53.3 kcal -Ag2SO4 446 - Ag2SO4 = 2Ag+ + SO4-2 - log_k -4.920 - delta_h 4.250 kcal - -CuBr 459 - CuBr = Cu+ + Br- - log_k -8.210 - delta_h 13.080 kcal - -CuI 460 - CuI = Cu+ + I- - log_k -11.890 - delta_h 20.140 kcal - -ZnBr2:2H2O 461 - ZnBr2:2H2O = Zn+2 + 2Br- + 2H2O - log_k 5.210 - delta_h -7.510 kcal - -ZnI2 462 - ZnI2 = Zn+2 + 2I- - log_k 7.230 - delta_h -13.440 kcal - -CdBr2:4H2O 463 - CdBr2:4H2O = Cd+2 + 2Br- + 4H2O - log_k -2.420 - delta_h 7.230 kcal - -CdI2 464 - CdI2 = Cd+2 + 2I- - log_k -3.610 - delta_h 4.080 kcal - -PbBr2 465 - PbBr2 = Pb+2 + 2Br- - log_k -5.180 +Ag2SO4 446 + Ag2SO4 = 2 Ag+ + SO4-2 + log_k -4.92 + delta_h 4.25 kcal + +CuBr 459 + CuBr = Cu+ + Br- + log_k -8.21 + delta_h 13.08 kcal + +CuI 460 + CuI = Cu+ + I- + log_k -11.89 + delta_h 20.14 kcal + +ZnBr2:2H2O 461 + ZnBr2:2H2O = Zn+2 + 2 Br- + 2 H2O + log_k 5.21 + delta_h -7.51 kcal + +ZnI2 462 + ZnI2 = Zn+2 + 2 I- + log_k 7.23 + delta_h -13.44 kcal + +CdBr2:4H2O 463 + CdBr2:4H2O = Cd+2 + 2 Br- + 4 H2O + log_k -2.42 + delta_h 7.23 kcal + +CdI2 464 + CdI2 = Cd+2 + 2 I- + log_k -3.61 + delta_h 4.08 kcal + +PbBr2 465 + PbBr2 = Pb+2 + 2 Br- + log_k -5.18 delta_h 8.1 kcal -PbBrF 466 - PbBrF = Pb+2 + Br- + F- - log_k -8.490 +PbBrF 466 + PbBrF = Pb+2 + Br- + F- + log_k -8.49 -PbI2 467 - PbI2 = Pb+2 + 2I- - log_k -8.070 - delta_h 15.160 kcal +PbI2 467 + PbI2 = Pb+2 + 2 I- + log_k -8.07 + delta_h 15.16 kcal -Jurbanite 471 - AlOHSO4 + H+ = Al+3 + SO4-2 + H2O - log_k -3.230 +Jurbanite 471 + AlOHSO4 + H+ = Al+3 + SO4-2 + H2O + log_k -3.23 -Basaluminite 472 - Al4(OH)10SO4 + 10H+ = 4Al+3 + SO4-2 + 10H2O - log_k 22.7 +Basaluminite 472 + Al4(OH)10SO4 + 10 H+ = 4 Al+3 + SO4-2 + 10 H2O + log_k 22.7 -As_native 557 - As + 3H2O = H3AsO3 + 3H+ + 3e- - log_k -12.532 - delta_h 115.131 kJ +As_native 557 + As + 3 H2O = H3AsO3 + 3 H+ + 3 e- + log_k -12.532 + delta_h 115.131 kJ -As2O5(cr) 488 - As2O5 + 3H2O = 2H3AsO4 - log_k 8.228 - delta_h -31.619 kJ +As2O5(cr) 488 + As2O5 + 3 H2O = 2 H3AsO4 + log_k 8.228 + delta_h -31.619 kJ -AlAsO4:2H2O 489 - AlAsO4:2H2O = Al+3 + AsO4-3 + 2H2O - log_k -15.837 +AlAsO4:2H2O 489 + AlAsO4:2H2O = Al+3 + AsO4-3 + 2 H2O + log_k -15.837 -Ca3(AsO4)2:4w 490 - Ca3(AsO4)2:4H2O = 3Ca+2 + 2AsO4-3 + 4H2O - log_k -18.905 +Ca3(AsO4)2:4w 490 + Ca3(AsO4)2:4H2O = 3 Ca+2 + 2 AsO4-3 + 4 H2O + log_k -18.905 -Cu3(AsO4)2:6w 491 - Cu3(AsO4)2:6H2O = 3Cu+2 + 2AsO4-3 + 6H2O - log_k -35.123 +Cu3(AsO4)2:6w 491 + Cu3(AsO4)2:6H2O = 3 Cu+2 + 2 AsO4-3 + 6 H2O + log_k -35.123 -Scorodite 492 - FeAsO4:2H2O = Fe+3 + AsO4-3 + 2H2O - log_k -20.249 +Scorodite 492 + FeAsO4:2H2O = Fe+3 + AsO4-3 + 2 H2O + log_k -20.249 -Mn3(AsO4)2:8H2O 493 - Mn3(AsO4)2:8H2O = 3Mn+2 + 2AsO4-3 + 8H2O - log_k -28.707 +Mn3(AsO4)2:8H2O 493 + Mn3(AsO4)2:8H2O = 3 Mn+2 + 2 AsO4-3 + 8 H2O + log_k -28.707 -Ni3(AsO4)2:8H2O 494 - Ni3(AsO4)2:8H2O = 3Ni+2 + 2AsO4-3 + 8H2O - log_k -25.511 +Ni3(AsO4)2:8H2O 494 + Ni3(AsO4)2:8H2O = 3 Ni+2 + 2 AsO4-3 + 8 H2O + log_k -25.511 -Pb3(AsO4)2 495 - Pb3(AsO4)2 = 3Pb+2 + 2AsO4-3 - log_k -35.403 +Pb3(AsO4)2 495 + Pb3(AsO4)2 = 3 Pb+2 + 2 AsO4-3 + log_k -35.403 -Zn3(AsO4)2:2.5w 496 - Zn3(AsO4)2:2.5H2O = 3Zn+2 + 2AsO4-3 + 2.5H2O - log_k -27.546 +Zn3(AsO4)2:2.5w 496 + Zn3(AsO4)2:2.5H2O = 3 Zn+2 + 2 AsO4-3 + 2.5 H2O + log_k -27.546 -Arsenolite 497 -# As4O6 + 6H2O = 4H3AsO3 +Arsenolite 497 +# As4O6 + 6H2O = 4H3AsO3 # log_k -2.801 # delta_h 14.330 kcal - As2O3 + 3H2O = 2H3AsO3 - log_k -1.38 - delta_h 30.041 kJ + As2O3 + 3 H2O = 2 H3AsO3 + log_k -1.38 + delta_h 30.041 kJ -Claudetite 498 -# As4O6 + 6H2O = 4H3AsO3 +Claudetite 498 +# As4O6 + 6H2O = 4H3AsO3 # log_k -3.065 # delta_h 13.290 kcal - As2O3 + 3H2O = 2H3AsO3 - log_k -1.34 - delta_h 28.443 kJ + As2O3 + 3 H2O = 2 H3AsO3 + log_k -1.34 + delta_h 28.443 kJ -AsI3 499 - AsI3 + 3H2O = H3AsO3 + 3I- + 3H+ - log_k 4.155 +AsI3 499 + AsI3 + 3 H2O = H3AsO3 + 3 I- + 3 H+ + log_k 4.155 delta_h 1.875 kcal -Orpiment 500 - As2S3 + 6H2O = 2H3AsO3 + 3HS- + 3H+ +Orpiment 500 + As2S3 + 6 H2O = 2 H3AsO3 + 3 HS- + 3 H+ # log_k -60.971 # delta_h 82.890 kcal - log_k -46.3 - delta_h 263.1 kJ + log_k -46.3 + delta_h 263.1 kJ -As2S3(am) 132 - As2S3 + 6H2O = 2H3AsO3 + 3HS- + 3H+ - log_k -44.9 - delta_h 244.2 kJ +As2S3(am) 132 + As2S3 + 6 H2O = 2 H3AsO3 + 3 HS- + 3 H+ + log_k -44.9 + delta_h 244.2 kJ -Realgar 501 - AsS + 3H2O = H3AsO3 + HS- + 2H+ + e- +Realgar 501 + AsS + 3 H2O = H3AsO3 + HS- + 2 H+ + e- # log_k -19.747 # delta_h 30.545 kcal - log_k -19.944 - delta_h 129.2625 kJ + log_k -19.944 + delta_h 129.2625 kJ -BlaubleiI 533 - Cu0.9Cu0.2S + H+ = 0.9Cu+2 + 0.2Cu+ + HS- - log_k -24.162 +BlaubleiI 533 + Cu0.9Cu0.2S + H+ = 0.9 Cu+2 + 0.2 Cu+ + HS- + log_k -24.162 -BlaubleiII 534 - Cu0.6Cu0.8S + H+ = 0.6Cu+2 + 0.8Cu+ + HS- - log_k -27.279 +BlaubleiII 534 + Cu0.6Cu0.8S + H+ = 0.6 Cu+2 + 0.8 Cu+ + HS- + log_k -27.279 -Anilite 535 - Cu0.25Cu1.5S + H+ = 0.25Cu+2 + 1.5Cu+ + HS- - log_k -31.878 +Anilite 535 + Cu0.25Cu1.5S + H+ = 0.25 Cu+2 + 1.5 Cu+ + HS- + log_k -31.878 delta_h 43.535 kcal -Djurleite 536 - Cu0.066Cu1.868S + H+ = 0.066Cu+2 + 1.868Cu+ + HS- - log_k -33.920 +Djurleite 536 + Cu0.066Cu1.868S + H+ = 0.066 Cu+2 + 1.868 Cu+ + HS- + log_k -33.92 delta_h 47.881 kcal -Portlandite 539 - Ca(OH)2 + 2H+ = Ca+2 + 2H2O - log_k 22.8 - delta_h -31.0 kcal +Portlandite 539 + Ca(OH)2 + 2 H+ = Ca+2 + 2 H2O + log_k 22.8 + delta_h -31 kcal -Ba3(AsO4)2 541 - Ba3(AsO4)2 = 3Ba+2 + 2AsO4-3 - log_k -50.110 +Ba3(AsO4)2 541 + Ba3(AsO4)2 = 3 Ba+2 + 2 AsO4-3 + log_k -50.11 delta_h 9.5 kcal -Se(s) 550 - Se + H+ + 2e- = HSe- - log_k -17.322 +Se(s) 550 + Se + H+ + 2 e- = HSe- + log_k -17.322 #SemetalSe4 551 -# Se + 3H2O = SeO3-2 + 6H+ + 4e- +# Se + 3H2O = SeO3-2 + 6H+ + 4e- # log_k -59.836 -FeSe2 552 - FeSe2 + 2H+ + 2e- = Fe+2 + 2HSe- - log_k -18.580 +FeSe2 552 + FeSe2 + 2 H+ + 2 e- = Fe+2 + 2 HSe- + log_k -18.58 -SeO2 553 - SeO2 + H2O = SeO3-2 + 2H+ - log_k -8.380 +SeO2 553 + SeO2 + H2O = SeO3-2 + 2 H+ + log_k -8.38 -CaSeO3 554 - CaSeO3 = Ca+2 + SeO3-2 - log_k -5.6 +CaSeO3 554 + CaSeO3 = Ca+2 + SeO3-2 + log_k -5.6 -BaSeO3 555 - BaSeO3 = Ba+2 + SeO3-2 - log_k -6.390 +BaSeO3 555 + BaSeO3 = Ba+2 + SeO3-2 + log_k -6.39 -Fe2(SeO3)3 556 - Fe2(SeO3)3 = 2Fe+3 + 3SeO3-2 - log_k -35.430 +Fe2(SeO3)3 556 + Fe2(SeO3)3 = 2 Fe+3 + 3 SeO3-2 + log_k -35.43 -Rhodochrosite 564 - MnCO3 = Mn+2 + CO3-2 - log_k -11.13 +Rhodochrosite 564 + MnCO3 = Mn+2 + CO3-2 + log_k -11.13 delta_h -1.43 kcal -Na4UO2(CO3)3 571 - Na4UO2(CO3)3 = 4Na+ + UO2+2 + 3CO3-2 - log_k -16.290 +Na4UO2(CO3)3 571 + Na4UO2(CO3)3 = 4 Na+ + UO2+2 + 3 CO3-2 + log_k -16.29 -Uraninite(c) 573 - UO2 + 4H+ = U+4 + 2H2O - log_k -4.8 - delta_h -18.610 kcal +Uraninite(c) 573 + UO2 + 4 H+ = U+4 + 2 H2O + log_k -4.8 + delta_h -18.61 kcal -UO2(a) 574 - UO2 + 4H+ = U+4 + 2H2O - log_k 0.1 +UO2(a) 574 + UO2 + 4 H+ = U+4 + 2 H2O + log_k 0.1 -U4O9(c) 575 - U4O9 + 18H+ + 2e- = 4U+4 + 9H2O - log_k -3.384 +U4O9(c) 575 + U4O9 + 18 H+ + 2 e- = 4 U+4 + 9 H2O + log_k -3.384 delta_h -101.235 kcal -U3O8(c) 576 - U3O8 + 16H+ + 4e- = 3U+4 + 8H2O - log_k 20.530 - delta_h -116.0 kcal +U3O8(c) 576 + U3O8 + 16 H+ + 4 e- = 3 U+4 + 8 H2O + log_k 20.53 + delta_h -116 kcal -Coffinite 577 - USiO4 + 4H+ = U+4 + H4SiO4 - log_k -7.670 +Coffinite 577 + USiO4 + 4 H+ = U+4 + H4SiO4 + log_k -7.67 delta_h -11.6 kcal -UF4(c) 584 - UF4 = U+4 + 4F- - log_k -18.606 +UF4(c) 584 + UF4 = U+4 + 4 F- + log_k -18.606 delta_h -18.9 kcal -UF4:2.5H2O 585 - UF4:2.5H2O = U+4 + 4F- + 2.5H2O - log_k -27.570 +UF4:2.5H2O 585 + UF4:2.5H2O = U+4 + 4 F- + 2.5 H2O + log_k -27.57 delta_h -0.588 kcal -U(OH)2SO4 591 - U(OH)2SO4 + 2H+ = U+4 + SO4-2 + 2H2O - log_k -3.2 +U(OH)2SO4 591 + U(OH)2SO4 + 2 H+ = U+4 + SO4-2 + 2 H2O + log_k -3.2 -UO2HPO4:4H2O 592 - UO2HPO4:4H2O = UO2+2 + HPO4-2 + 4H2O - log_k -11.850 +UO2HPO4:4H2O 592 + UO2HPO4:4H2O = UO2+2 + HPO4-2 + 4 H2O + log_k -11.85 -U(HPO4)2:4H2O 593 - U(HPO4)2:4H2O = U+4 + 2PO4-3 + 2H+ + 4H2O - log_k -55.3 - delta_h 3.840 kcal +U(HPO4)2:4H2O 593 + U(HPO4)2:4H2O = U+4 + 2 PO4-3 + 2 H+ + 4 H2O + log_k -55.3 + delta_h 3.84 kcal -Ningyoite 594 - CaU(PO4)2:2H2O = U+4 + Ca+2 + 2PO4-3 + 2H2O - log_k -53.906 - delta_h -2.270 kcal +Ningyoite 594 + CaU(PO4)2:2H2O = U+4 + Ca+2 + 2 PO4-3 + 2 H2O + log_k -53.906 + delta_h -2.27 kcal -UO3(gamma) 599 - UO3 + 2H+ = UO2+2 + H2O - log_k 7.719 +UO3(gamma) 599 + UO3 + 2 H+ = UO2+2 + H2O + log_k 7.719 delta_h -19.315 kcal -Gummite 600 - UO3 + 2H+ = UO2+2 + H2O - log_k 10.403 +Gummite 600 + UO3 + 2 H+ = UO2+2 + H2O + log_k 10.403 delta_h -23.015 kcal -B-UO2(OH)2 601 - UO2(OH)2 + 2H+ = UO2+2 + 2H2O - log_k 5.544 - delta_h -13.730 kcal +B-UO2(OH)2 601 + UO2(OH)2 + 2 H+ = UO2+2 + 2 H2O + log_k 5.544 + delta_h -13.73 kcal -Schoepite 602 - UO2(OH)2:H2O + 2H+ = UO2+2 + 3H2O - log_k 5.404 +Schoepite 602 + UO2(OH)2:H2O + 2 H+ = UO2+2 + 3 H2O + log_k 5.404 delta_h -12.045 kcal -Rutherfordine 606 - UO2CO3 = UO2+2 + CO3-2 - log_k -14.450 - delta_h -1.440 kcal +Rutherfordine 606 + UO2CO3 = UO2+2 + CO3-2 + log_k -14.45 + delta_h -1.44 kcal -(UO2)3(PO4)2:4w 619 - (UO2)3(PO4)2:4H2O = 3UO2+2 + 2PO4-3 + 4H2O - log_k -37.4 +(UO2)3(PO4)2:4w 619 + (UO2)3(PO4)2:4H2O = 3 UO2+2 + 2 PO4-3 + 4 H2O + log_k -37.4 delta_h 41.5 kcal -H-Autunite 620 - H2(UO2)2(PO4)2 = 2H+ + 2UO2+2 + 2PO4-3 - log_k -47.931 +H-Autunite 620 + H2(UO2)2(PO4)2 = 2 H+ + 2 UO2+2 + 2 PO4-3 + log_k -47.931 delta_h -3.6 kcal -Na-Autunite 621 - Na2(UO2)2(PO4)2 = 2Na+ + 2UO2+2 + 2PO4-3 - log_k -47.409 - delta_h -0.460 kcal +Na-Autunite 621 + Na2(UO2)2(PO4)2 = 2 Na+ + 2 UO2+2 + 2 PO4-3 + log_k -47.409 + delta_h -0.46 kcal -K-Autunite 622 - K2(UO2)2(PO4)2 = 2K+ + 2UO2+2 + 2PO4-3 - log_k -48.244 - delta_h 5.860 kcal +K-Autunite 622 + K2(UO2)2(PO4)2 = 2 K+ + 2 UO2+2 + 2 PO4-3 + log_k -48.244 + delta_h 5.86 kcal -Uramphite 623 - (NH4)2(UO2)2(PO4)2 = 2NH4+ + 2UO2+2 + 2PO4-3 - log_k -51.749 +Uramphite 623 + (NH4)2(UO2)2(PO4)2 = 2 NH4+ + 2 UO2+2 + 2 PO4-3 + log_k -51.749 delta_h 9.7 kcal -Saleeite 624 - Mg(UO2)2(PO4)2 = Mg+2 + 2UO2+2 + 2PO4-3 - log_k -43.646 - delta_h -20.180 kcal +Saleeite 624 + Mg(UO2)2(PO4)2 = Mg+2 + 2 UO2+2 + 2 PO4-3 + log_k -43.646 + delta_h -20.18 kcal -Autunite 625 - Ca(UO2)2(PO4)2 = Ca+2 + 2UO2+2 + 2PO4-3 - log_k -43.927 - delta_h -14.340 kcal +Autunite 625 + Ca(UO2)2(PO4)2 = Ca+2 + 2 UO2+2 + 2 PO4-3 + log_k -43.927 + delta_h -14.34 kcal -Sr-Autunite 626 - Sr(UO2)2(PO4)2 = Sr+2 + 2UO2+2 + 2PO4-3 - log_k -44.457 - delta_h -13.050 kcal +Sr-Autunite 626 + Sr(UO2)2(PO4)2 = Sr+2 + 2 UO2+2 + 2 PO4-3 + log_k -44.457 + delta_h -13.05 kcal -Uranocircite 627 - Ba(UO2)2(PO4)2 = Ba+2 + 2UO2+2 + 2PO4-3 - log_k -44.631 +Uranocircite 627 + Ba(UO2)2(PO4)2 = Ba+2 + 2 UO2+2 + 2 PO4-3 + log_k -44.631 delta_h -10.1 kcal -Bassetite 628 - Fe(UO2)2(PO4)2 = Fe+2 + 2UO2+2 + 2PO4-3 - log_k -44.485 +Bassetite 628 + Fe(UO2)2(PO4)2 = Fe+2 + 2 UO2+2 + 2 PO4-3 + log_k -44.485 delta_h -19.9 kcal -Torbernite 629 - Cu(UO2)2(PO4)2 = Cu+2 + 2UO2+2 + 2PO4-3 - log_k -45.279 +Torbernite 629 + Cu(UO2)2(PO4)2 = Cu+2 + 2 UO2+2 + 2 PO4-3 + log_k -45.279 delta_h -15.9 kcal -Przhevalskite 630 - Pb(UO2)2(PO4)2 = Pb+2 + 2UO2+2 + 2PO4-3 - log_k -44.365 - delta_h -11.0 kcal +Przhevalskite 630 + Pb(UO2)2(PO4)2 = Pb+2 + 2 UO2+2 + 2 PO4-3 + log_k -44.365 + delta_h -11 kcal -Uranophane 632 - Ca(UO2)2(SiO3OH)2 + 6H+ = Ca+2 + 2UO2+2 + 2H4SiO4 - log_k 17.489 +Uranophane 632 + Ca(UO2)2(SiO3OH)2 + 6 H+ = Ca+2 + 2 UO2+2 + 2 H4SiO4 + log_k 17.489 -CO2(g) - CO2 = CO2 - log_k -1.468 +CO2(g) + CO2 = CO2 + log_k -1.468 delta_h -4.776 kcal - -analytical 108.3865 0.01985076 -6919.53 -40.45154 669365.0 + -analytical 108.3865 0.01985076 -6919.53 -40.45154 669365 O2(g) - O2 = O2 + O2 = O2 # log_k -2.960 # delta_h -1.844 kcal # log K from llnl.dat Aug 23, 2005 - log_k -2.8983 - -analytic -7.5001e+000 7.8981e-003 0.0000e+000 0.0000e+000 2.0027e+005 + log_k -2.8983 + -analytic -7.5001e+0 7.8981e-3 0e+0 0e+0 2.0027e+5 H2(g) - H2 = H2 - log_k -3.150 + H2 = H2 + log_k -3.15 delta_h -1.759 kcal N2(g) - N2 = N2 - log_k -3.260 + N2 = N2 + log_k -3.26 delta_h -1.358 kcal H2S(g) - H2S = H2S - log_k -0.997 - delta_h -4.570 kcal + H2S = H2S + log_k -0.997 + delta_h -4.57 kcal CH4(g) - CH4 = CH4 - log_k -2.860 + CH4 = CH4 + log_k -2.86 delta_h -3.373 kcal NH3(g) - NH3 = NH3 - log_k 1.770 - delta_h -8.170 kcal + NH3 = NH3 + log_k 1.77 + delta_h -8.17 kcal EXCHANGE_MASTER_SPECIES - X X- + X X- EXCHANGE_SPECIES X- = X- - log_k 0.0 + log_k 0 Na+ + X- = NaX - log_k 0.0 + log_k 0 K+ + X- = KX - log_k 0.7 + log_k 0.7 Li+ + X- = LiX - log_k -0.08 + log_k -0.08 H+ + X- = HX - log_k 1.0 + log_k 1 NH4+ + X- = NH4X - log_k 0.6 + log_k 0.6 - Ca+2 + 2X- = CaX2 - log_k 0.8 + Ca+2 + 2 X- = CaX2 + log_k 0.8 - Mg+2 + 2X- = MgX2 - log_k 0.6 + Mg+2 + 2 X- = MgX2 + log_k 0.6 - Sr+2 + 2X- = SrX2 - log_k 0.91 + Sr+2 + 2 X- = SrX2 + log_k 0.91 - Ba+2 + 2X- = BaX2 - log_k 0.91 + Ba+2 + 2 X- = BaX2 + log_k 0.91 - Mn+2 + 2X- = MnX2 - log_k 0.52 + Mn+2 + 2 X- = MnX2 + log_k 0.52 - Fe+2 + 2X- = FeX2 - log_k 0.44 + Fe+2 + 2 X- = FeX2 + log_k 0.44 - Cu+2 + 2X- = CuX2 - log_k 0.6 + Cu+2 + 2 X- = CuX2 + log_k 0.6 - Zn+2 + 2X- = ZnX2 - log_k 0.8 + Zn+2 + 2 X- = ZnX2 + log_k 0.8 - Cd+2 + 2X- = CdX2 - log_k 0.8 + Cd+2 + 2 X- = CdX2 + log_k 0.8 - Pb+2 + 2X- = PbX2 - log_k 1.05 + Pb+2 + 2 X- = PbX2 + log_k 1.05 - Al+3 + 3X- = AlX3 - log_k 0.67 + Al+3 + 3 X- = AlX3 + log_k 0.67 SURFACE_MASTER_SPECIES - Hfo_s Hfo_sOH - Hfo_w Hfo_wOH + Hfo_s Hfo_sOH + Hfo_w Hfo_wOH SURFACE_SPECIES -# All surface data from +# All surface data from # Dzombak and Morel, 1990 # # # Acid-base data from table 5.7 # -# strong binding site--Hfo_s, +# strong binding site--Hfo_s, Hfo_sOH = Hfo_sOH - log_k 0.0 + log_k 0 - Hfo_sOH + H+ = Hfo_sOH2+ - log_k 7.29 # = pKa1,int + Hfo_sOH + H+ = Hfo_sOH2+ + log_k 7.29 # = pKa1,int Hfo_sOH = Hfo_sO- + H+ - log_k -8.93 # = -pKa2,int + log_k -8.93 # = -pKa2,int # weak binding site--Hfo_w Hfo_wOH = Hfo_wOH - log_k 0.0 + log_k 0 - Hfo_wOH + H+ = Hfo_wOH2+ - log_k 7.29 # = pKa1,int + Hfo_wOH + H+ = Hfo_wOH2+ + log_k 7.29 # = pKa1,int Hfo_wOH = Hfo_wO- + H+ - log_k -8.93 # = -pKa2,int + log_k -8.93 # = -pKa2,int ############################################### # CATIONS # @@ -3552,64 +3555,64 @@ SURFACE_SPECIES # # Calcium Hfo_sOH + Ca+2 = Hfo_sOHCa+2 - log_k 4.97 + log_k 4.97 Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+ log_k -5.85 # Strontium Hfo_sOH + Sr+2 = Hfo_sOHSr+2 - log_k 5.01 + log_k 5.01 Hfo_wOH + Sr+2 = Hfo_wOSr+ + H+ log_k -6.58 - Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2H+ - log_k -17.60 + Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2 H+ + log_k -17.6 # Barium Hfo_sOH + Ba+2 = Hfo_sOHBa+2 - log_k 5.46 + log_k 5.46 Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+ - log_k -7.2 # table 10.5 + log_k -7.2 # table 10.5 # # Cations from table 10.2 # # Silver Hfo_sOH + Ag+ = Hfo_sOAg + H+ - log_k -1.72 + log_k -1.72 Hfo_wOH + Ag+ = Hfo_wOAg + H+ - log_k -5.3 # table 10.5 + log_k -5.3 # table 10.5 # Nickel Hfo_sOH + Ni+2 = Hfo_sONi+ + H+ - log_k 0.37 + log_k 0.37 Hfo_wOH + Ni+2 = Hfo_wONi+ + H+ - log_k -2.5 # table 10.5 + log_k -2.5 # table 10.5 # Cadmium Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+ - log_k 0.47 + log_k 0.47 Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+ - log_k -2.91 + log_k -2.91 # Zinc Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+ - log_k 0.99 + log_k 0.99 Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+ - log_k -1.99 + log_k -1.99 # Copper Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+ - log_k 2.89 + log_k 2.89 Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+ - log_k 0.6 # table 10.5 + log_k 0.6 # table 10.5 # Lead Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+ - log_k 4.65 + log_k 4.65 Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+ - log_k 0.3 # table 10.5 + log_k 0.3 # table 10.5 # # Derived constants table 10.5 # @@ -3619,17 +3622,17 @@ SURFACE_SPECIES # Manganese Hfo_sOH + Mn+2 = Hfo_sOMn+ + H+ - log_k -0.4 # table 10.5 + log_k -0.4 # table 10.5 Hfo_wOH + Mn+2 = Hfo_wOMn+ + H+ - log_k -3.5 # table 10.5 + log_k -3.5 # table 10.5 # Uranyl Hfo_sOH + UO2+2 = Hfo_sOUO2+ + H+ - log_k 5.2 # table 10.5 + log_k 5.2 # table 10.5 Hfo_wOH + UO2+2 = Hfo_wOUO2+ + H+ - log_k 2.8 # table 10.5 + log_k 2.8 # table 10.5 # Iron # Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+ @@ -3641,83 +3644,83 @@ SURFACE_SPECIES # Iron, strong site: Appelo, Van der Weiden, Tournassat & Charlet, subm. Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+ - log_k -0.95 + log_k -0.95 # Iron, weak site: Liger et al., GCA 63, 2939, re-optimized for D&M Hfo_wOH + Fe+2 = Hfo_wOFe+ + H+ log_k -2.98 - Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2H+ + Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2 H+ log_k -11.55 ############################################### # ANIONS # ############################################### # -# Anions from table 10.6 +# Anions from table 10.6 # # Phosphate - Hfo_wOH + PO4-3 + 3H+ = Hfo_wH2PO4 + H2O - log_k 31.29 + Hfo_wOH + PO4-3 + 3 H+ = Hfo_wH2PO4 + H2O + log_k 31.29 - Hfo_wOH + PO4-3 + 2H+ = Hfo_wHPO4- + H2O - log_k 25.39 + Hfo_wOH + PO4-3 + 2 H+ = Hfo_wHPO4- + H2O + log_k 25.39 Hfo_wOH + PO4-3 + H+ = Hfo_wPO4-2 + H2O - log_k 17.72 + log_k 17.72 # Arsenate - Hfo_wOH + AsO4-3 + 3H+ = Hfo_wH2AsO4 + H2O - log_k 29.31 + Hfo_wOH + AsO4-3 + 3 H+ = Hfo_wH2AsO4 + H2O + log_k 29.31 - Hfo_wOH + AsO4-3 + 2H+ = Hfo_wHAsO4- + H2O - log_k 23.51 + Hfo_wOH + AsO4-3 + 2 H+ = Hfo_wHAsO4- + H2O + log_k 23.51 Hfo_wOH + AsO4-3 = Hfo_wOHAsO4-3 - log_k 10.58 + log_k 10.58 # # Anions from table 10.7 # # Arsenite Hfo_wOH + H3AsO3 = Hfo_wH2AsO3 + H2O - log_k 5.41 + log_k 5.41 # Borate Hfo_wOH + H3BO3 = Hfo_wH2BO3 + H2O - log_k 0.62 + log_k 0.62 # # Anions from table 10.8 # # Sulfate Hfo_wOH + SO4-2 + H+ = Hfo_wSO4- + H2O - log_k 7.78 + log_k 7.78 Hfo_wOH + SO4-2 = Hfo_wOHSO4-2 - log_k 0.79 + log_k 0.79 # Selenate Hfo_wOH + SeO4-2 + H+ = Hfo_wSeO4- + H2O - log_k 7.73 + log_k 7.73 Hfo_wOH + SeO4-2 = Hfo_wOHSeO4-2 - log_k 0.80 + log_k 0.8 # Selenite Hfo_wOH + SeO3-2 + H+ = Hfo_wSeO3- + H2O - log_k 12.69 + log_k 12.69 Hfo_wOH + SeO3-2 = Hfo_wOHSeO3-2 - log_k 5.17 + log_k 5.17 # # Derived constants table 10.10 # Hfo_wOH + F- + H+ = Hfo_wF + H2O - log_k 8.7 + log_k 8.7 Hfo_wOH + F- = Hfo_wOHF- - log_k 1.6 + log_k 1.6 # # Carbonate: Van Geen et al., 1994 reoptimized for HFO # 0.15 g HFO/L has 0.344 mM sites == 2 g of Van Geen's Goethite/L # # Hfo_wOH + CO3-2 + H+ = Hfo_wCO3- + H2O # log_k 12.56 -# +# # Hfo_wOH + CO3-2 + 2H+= Hfo_wHCO3 + H2O # log_k 20.62 @@ -3727,7 +3730,7 @@ RATES #K-feldspar ########### # -# Sverdrup, H.U., 1990, The kinetics of base cation release due to +# Sverdrup, H.U., 1990, The kinetics of base cation release due to # chemical weathering: Lund University Press, Lund, 246 p. # # Example of KINETICS data block for K-feldspar rate: @@ -3742,28 +3745,28 @@ K-feldspar 1 rem specific rate from Sverdrup, 1990, in kmol/m2/s 2 rem parm(1) = 10 * (A/V, 1/dm) (recalc's sp. rate to mol/kgw) 3 rem parm(2) = corrects for field rate relative to lab rate - 4 rem temp corr: from p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/298) - - 10 dif_temp = 1/TK - 1/298 - 20 pk_H = 12.5 + 3134 * dif_temp - 30 pk_w = 15.3 + 1838 * dif_temp - 40 pk_OH = 14.2 + 3134 * dif_temp - 50 pk_CO2 = 14.6 + 1677 * dif_temp + 4 rem temp corr: from p. 162 E (kJ/mol) / R / 2.303 = H in H*(1/T-1/298) + + 10 dif_temp = 1/TK - 1/298 + 20 pk_H = 12.5 + 3134 * dif_temp + 30 pk_w = 15.3 + 1838 * dif_temp + 40 pk_OH = 14.2 + 3134 * dif_temp + 50 pk_CO2 = 14.6 + 1677 * dif_temp #60 pk_org = 13.9 + 1254 * dif_temp # rate increase with DOC - 70 rate = 10^-pk_H * ACT("H+")^0.5 + 10^-pk_w + 10^-pk_OH * ACT("OH-")^0.3 - 71 rate = rate + 10^-pk_CO2 * (10^SI("CO2(g)"))^0.6 + 70 rate = 10^-pk_H * ACT("H+")^0.5 + 10^-pk_w + 10^-pk_OH * ACT("OH-")^0.3 + 71 rate = rate + 10^-pk_CO2 * (10^SI("CO2(g)"))^0.6 #72 rate = rate + 10^-pk_org * TOT("Doc")^0.4 - 80 moles = parm(1) * parm(2) * rate * (1 - SR("K-feldspar")) * time + 80 moles = parm(1) * parm(2) * rate * (1 - SR("K-feldspar")) * time 81 rem decrease rate on precipitation - 90 if SR("K-feldspar") > 1 then moles = moles * 0.1 - 100 save moles + 90 if SR("K-feldspar") > 1 then moles = moles * 0.1 + 100 save moles -end ########### #Albite ########### # -# Sverdrup, H.U., 1990, The kinetics of base cation release due to +# Sverdrup, H.U., 1990, The kinetics of base cation release due to # chemical weathering: Lund University Press, Lund, 246 p. # # Example of KINETICS data block for Albite rate: @@ -3777,70 +3780,70 @@ Albite 1 rem specific rate from Sverdrup, 1990, in kmol/m2/s 2 rem parm(1) = 10 * (A/V, 1/dm) (recalc's sp. rate to mol/kgw) 3 rem parm(2) = corrects for field rate relative to lab rate - 4 rem temp corr: from p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/298) - - 10 dif_temp = 1/TK - 1/298 - 20 pk_H = 12.5 + 3359 * dif_temp - 30 pk_w = 14.8 + 2648 * dif_temp - 40 pk_OH = 13.7 + 3359 * dif_temp + 4 rem temp corr: from p. 162 E (kJ/mol) / R / 2.303 = H in H*(1/T-1/298) + + 10 dif_temp = 1/TK - 1/298 + 20 pk_H = 12.5 + 3359 * dif_temp + 30 pk_w = 14.8 + 2648 * dif_temp + 40 pk_OH = 13.7 + 3359 * dif_temp #41 rem ^12.9 in Sverdrup, but larger than for oligoclase... - 50 pk_CO2 = 14.0 + 1677 * dif_temp + 50 pk_CO2 = 14 + 1677 * dif_temp #60 pk_org = 12.5 + 1254 * dif_temp # ...rate increase for DOC - 70 rate = 10^-pk_H * ACT("H+")^0.5 + 10^-pk_w + 10^-pk_OH * ACT("OH-")^0.3 - 71 rate = rate + 10^-pk_CO2 * (10^SI("CO2(g)"))^0.6 + 70 rate = 10^-pk_H * ACT("H+")^0.5 + 10^-pk_w + 10^-pk_OH * ACT("OH-")^0.3 + 71 rate = rate + 10^-pk_CO2 * (10^SI("CO2(g)"))^0.6 #72 rate = rate + 10^-pk_org * TOT("Doc")^0.4 - 80 moles = parm(1) * parm(2) * rate * (1 - SR("Albite")) * time + 80 moles = parm(1) * parm(2) * rate * (1 - SR("Albite")) * time 81 rem decrease rate on precipitation - 90 if SR("Albite") > 1 then moles = moles * 0.1 - 100 save moles + 90 if SR("Albite") > 1 then moles = moles * 0.1 + 100 save moles -end ######## #Calcite ######## # -# Plummer, L.N., Wigley, T.M.L., and Parkhurst, D.L., 1978, +# Plummer, L.N., Wigley, T.M.L., and Parkhurst, D.L., 1978, # American Journal of Science, v. 278, p. 179-216. # # Example of KINETICS data block for calcite rate: # # KINETICS 1 -# Calcite +# Calcite # -tol 1e-8 # -m0 3.e-3 # -m 3.e-3 # -parms 5.0 0.6 Calcite -start - 1 REM Modified from Plummer and others, 1978 - 2 REM M = current moles of calcite - 3 REM M0 = initial moles of calcite - 4 REM parm(1) = Area/Volume, cm^2/L (or cm^2 per cell) - 5 REM parm(2) = exponent for M/M0 for surface area correction - 10 REM rate = 0 if no calcite and undersaturated - 20 si_cc = SI("Calcite") - 30 if (M <= 0 and si_cc < 0) then goto 300 - 40 k1 = 10^(0.198 - 444.0 / TK ) - 50 k2 = 10^(2.84 - 2177.0 / TK ) - 60 if TC <= 25 then k3 = 10^(-5.86 - 317.0 / TK ) - 70 if TC > 25 then k3 = 10^(-1.1 - 1737.0 / TK ) - 80 REM surface area calculation - 90 t = 1 - 100 if M0 > 0 then t = M/M0 - 110 if t = 0 then t = 1 - 120 area = PARM(1) * (t)^PARM(2) - 130 rf = k1 * ACT("H+") + k2 * ACT("CO2") + k3 * ACT("H2O") + 1 REM Modified from Plummer and others, 1978 + 2 REM M = current moles of calcite + 3 REM M0 = initial moles of calcite + 4 REM parm(1) = Area/Volume, cm^2/L (or cm^2 per cell) + 5 REM parm(2) = exponent for M/M0 for surface area correction + 10 REM rate = 0 if no calcite and undersaturated + 20 si_cc = SI("Calcite") + 30 if (M <= 0 and si_cc < 0) then goto 300 + 40 k1 = 10^(0.198 - 444 / TK ) + 50 k2 = 10^(2.84 - 2177 / TK ) + 60 if TC <= 25 then k3 = 10^(-5.86 - 317 / TK ) + 70 if TC > 25 then k3 = 10^(-1.1 - 1737 / TK ) + 80 REM surface area calculation + 90 t = 1 + 100 if M0 > 0 then t = M/M0 + 110 if t = 0 then t = 1 + 120 area = PARM(1) * (t)^PARM(2) + 130 rf = k1 * ACT("H+") + k2 * ACT("CO2") + k3 * ACT("H2O") 140 REM 1e-3 converts mmol to mol - 150 rate = area * 1e-3 * rf * (1 - 10^(2/3*si_cc)) - 160 moles = rate * TIME + 150 rate = area * 1e-3 * rf * (1 - 10^(2/3*si_cc)) + 160 moles = rate * TIME 170 REM do not dissolve more calcite than present - 180 if (moles > M) then moles = M - 190 if (moles >= 0) then goto 300 + 180 if (moles > M) then moles = M + 190 if (moles >= 0) then goto 300 200 REM do not precipitate more Ca or C(4) than present - 210 temp = TOT("Ca") - 220 mc = TOT("C(4)") - 230 if mc < temp then temp = mc - 240 if -moles > temp then moles = -temp + 210 temp = TOT("Ca") + 220 mc = TOT("C(4)") + 230 if mc < temp then temp = mc + 240 if -moles > temp then moles = -temp 300 SAVE moles -end @@ -3848,26 +3851,26 @@ Calcite #Pyrite ####### # -# Williamson, M.A. and Rimstidt, J.D., 1994, +# Williamson, M.A. and Rimstidt, J.D., 1994, # Geochimica et Cosmochimica Acta, v. 58, p. 5443-5454. # # Example of KINETICS data block for pyrite rate: # KINETICS 1 -# Pyrite +# Pyrite # -tol 1e-8 # -m0 5.e-4 # -m 5.e-4 -# -parms 2.0 0.67 .5 -0.11 +# -parms 2.0 0.67 .5 -0.11 Pyrite -start - 1 rem Williamson and Rimstidt, 1994 - 2 rem parm(1) = log10(A/V, 1/dm) parm(2) = exp for (m/m0) - 3 rem parm(3) = exp for O2 parm(4) = exp for H+ - + 1 rem Williamson and Rimstidt, 1994 + 2 rem parm(1) = log10(A/V, 1/dm) parm(2) = exp for (m/m0) + 3 rem parm(3) = exp for O2 parm(4) = exp for H+ + 10 if (m <= 0) then goto 200 20 if (si("Pyrite") >= 0) then goto 200 - 25 rate = -10.19 + parm(1) + parm(3)*lm("O2") + parm(4)*lm("H+") + parm(2)*log10(m/m0) - 30 moles = 10^rate * time + 25 rate = -10.19 + parm(1) + parm(3)*lm("O2") + parm(4)*lm("H+") + parm(2)*log10(m/m0) + 30 moles = 10^rate * time 40 if (moles > m) then moles = m 200 save moles -end @@ -3885,16 +3888,16 @@ Pyrite # -m 5e-3 Organic_C -start - 1 rem Additive Monod kinetics - 2 rem Electron acceptors: O2, NO3, and SO4 + 1 rem Additive Monod kinetics + 2 rem Electron acceptors: O2, NO3, and SO4 10 if (m <= 0) then goto 200 - 20 mO2 = mol("O2") - 30 mNO3 = tot("N(5)") - 40 mSO4 = tot("S(6)") - 50 rate = 1.57e-9*mO2/(2.94e-4 + mO2) + 1.67e-11*mNO3/(1.55e-4 + mNO3) - 60 rate = rate + 1.e-13*mSO4/(1.e-4 + mSO4) - 70 moles = rate * m * (m/m0) * time + 20 mO2 = mol("O2") + 30 mNO3 = tot("N(5)") + 40 mSO4 = tot("S(6)") + 50 rate = 1.57e-9*mO2/(2.94e-4 + mO2) + 1.67e-11*mNO3/(1.55e-4 + mNO3) + 60 rate = rate + 1.e-13*mSO4/(1.e-4 + mSO4) + 70 moles = rate * m * (m/m0) * time 80 if (moles > m) then moles = m 200 save moles -end @@ -3913,222 +3916,222 @@ Organic_C # -m 0.1 Pyrolusite -start - 5 if (m <= 0.0) then goto 200 - 7 sr_pl = sr("Pyrolusite") - 9 if abs(1 - sr_pl) < 0.1 then goto 200 - 10 if (sr_pl > 1.0) then goto 100 + 5 if (m <= 0.0) then goto 200 + 7 sr_pl = sr("Pyrolusite") + 9 if abs(1 - sr_pl) < 0.1 then goto 200 + 10 if (sr_pl > 1.0) then goto 100 #20 rem initially 1 mol Fe+2 = 0.5 mol pyrolusite. k*A/V = 1/time (3 cells) #22 rem time (3 cells) = 1.432e4. 1/time = 6.98e-5 - 30 Fe_t = tot("Fe(2)") - 32 if Fe_t < 1.e-8 then goto 200 - 40 moles = 6.98e-5 * Fe_t * (m/m0)^0.67 * time * (1 - sr_pl) - 50 if moles > Fe_t / 2 then moles = Fe_t / 2 - 70 if moles > m then moles = m - 90 goto 200 - 100 Mn_t = tot("Mn") - 110 moles = 2e-3 * 6.98e-5 * (1-sr_pl) * time - 120 if moles <= -Mn_t then moles = -Mn_t - 200 save moles + 30 Fe_t = tot("Fe(2)") + 32 if Fe_t < 1e-8 then goto 200 + 40 moles = 6.98e-5 * Fe_t * (m/m0)^0.67 * time * (1 - sr_pl) + 50 if moles > Fe_t / 2 then moles = Fe_t / 2 + 70 if moles > m then moles = m + 90 goto 200 + 100 Mn_t = tot("Mn") + 110 moles = 2e-3 * 6.98e-5 * (1-sr_pl) * time + 120 if moles <= -Mn_t then moles = -Mn_t + 200 save moles -end SURFACE_MASTER_SPECIES # Monodentate 60% - H_a H_aH; H_b H_bH; H_c H_cH; H_d H_dH - H_e H_eH; H_f H_fH; H_g H_gH; H_h H_hH + H_a H_aH; H_b H_bH; H_c H_cH; H_d H_dH + H_e H_eH; H_f H_fH; H_g H_gH; H_h H_hH # Diprotic 40% H_ab H_abH2; H_ad H_adH2; H_af H_afH2; H_ah H_ahH2 H_bc H_bcH2; H_be H_beH2; H_bg H_bgH2; H_cd H_cdH2 H_cf H_cfH2; H_ch H_chH2; H_de H_deH2; H_dg H_dgH2 SURFACE_SPECIES - H_aH = H_aH; log_k 0; H_bH = H_bH; log_k 0; H_cH = H_cH; log_k 0; H_dH = H_dH; log_k 0; - H_eH = H_eH; log_k 0; H_fH = H_fH; log_k 0; H_gH = H_gH; log_k 0; H_hH = H_hH; log_k 0; + H_aH = H_aH; log_k 0; H_bH = H_bH; log_k 0; H_cH = H_cH; log_k 0; H_dH = H_dH; log_k 0 + H_eH = H_eH; log_k 0; H_fH = H_fH; log_k 0; H_gH = H_gH; log_k 0; H_hH = H_hH; log_k 0 - H_abH2 = H_abH2; log_k 0; H_adH2 = H_adH2; log_k 0; H_afH2 = H_afH2; log_k 0; - H_ahH2 = H_ahH2; log_k 0; H_bcH2 = H_bcH2; log_k 0; H_beH2 = H_beH2; log_k 0; - H_bgH2 = H_bgH2; log_k 0; H_cdH2 = H_cdH2; log_k 0; H_cfH2 = H_cfH2; log_k 0; - H_chH2 = H_chH2; log_k 0; H_deH2 = H_deH2; log_k 0; H_dgH2 = H_dgH2; log_k 0; + H_abH2 = H_abH2; log_k 0; H_adH2 = H_adH2; log_k 0; H_afH2 = H_afH2; log_k 0 + H_ahH2 = H_ahH2; log_k 0; H_bcH2 = H_bcH2; log_k 0; H_beH2 = H_beH2; log_k 0 + H_bgH2 = H_bgH2; log_k 0; H_cdH2 = H_cdH2; log_k 0; H_cfH2 = H_cfH2; log_k 0 + H_chH2 = H_chH2; log_k 0; H_deH2 = H_deH2; log_k 0; H_dgH2 = H_dgH2; log_k 0 # Protons - H_aH = H_a- + H+; log_k -1.59 - H_bH = H_b- + H+; log_k -2.70 - H_cH = H_c- + H+; log_k -3.82 - H_dH = H_d- + H+; log_k -4.93 - - H_eH = H_e- + H+; log_k -6.88 - H_fH = H_f- + H+; log_k -8.72 - H_gH = H_g- + H+; log_k -10.56 - H_hH = H_h- + H+; log_k -12.40 - - H_abH2 = H_abH- + H+; log_k -1.59; H_abH- = H_ab-2 + H+; log_k -2.70 + H_aH = H_a- + H+; log_k -1.59 + H_bH = H_b- + H+; log_k -2.7 + H_cH = H_c- + H+; log_k -3.82 + H_dH = H_d- + H+; log_k -4.93 + + H_eH = H_e- + H+; log_k -6.88 + H_fH = H_f- + H+; log_k -8.72 + H_gH = H_g- + H+; log_k -10.56 + H_hH = H_h- + H+; log_k -12.4 + + H_abH2 = H_abH- + H+; log_k -1.59; H_abH- = H_ab-2 + H+; log_k -2.7 H_adH2 = H_adH- + H+; log_k -1.59; H_adH- = H_ad-2 + H+; log_k -4.93 H_afH2 = H_afH- + H+; log_k -1.59; H_afH- = H_af-2 + H+; log_k -8.72 - H_ahH2 = H_ahH- + H+; log_k -1.59; H_ahH- = H_ah-2 + H+; log_k -12.40 - H_bcH2 = H_bcH- + H+; log_k -2.70; H_bcH- = H_bc-2 + H+; log_k -3.82 - H_beH2 = H_beH- + H+; log_k -2.70; H_beH- = H_be-2 + H+; log_k -6.88 - H_bgH2 = H_bgH- + H+; log_k -2.70; H_bgH- = H_bg-2 + H+; log_k -10.56 + H_ahH2 = H_ahH- + H+; log_k -1.59; H_ahH- = H_ah-2 + H+; log_k -12.4 + H_bcH2 = H_bcH- + H+; log_k -2.7; H_bcH- = H_bc-2 + H+; log_k -3.82 + H_beH2 = H_beH- + H+; log_k -2.7; H_beH- = H_be-2 + H+; log_k -6.88 + H_bgH2 = H_bgH- + H+; log_k -2.7; H_bgH- = H_bg-2 + H+; log_k -10.56 H_cdH2 = H_cdH- + H+; log_k -3.82; H_cdH- = H_cd-2 + H+; log_k -4.93 H_cfH2 = H_cfH- + H+; log_k -3.82; H_cfH- = H_cf-2 + H+; log_k -8.72 - H_chH2 = H_chH- + H+; log_k -3.82; H_chH- = H_ch-2 + H+; log_k -12.40 + H_chH2 = H_chH- + H+; log_k -3.82; H_chH- = H_ch-2 + H+; log_k -12.4 H_deH2 = H_deH- + H+; log_k -4.93; H_deH- = H_de-2 + H+; log_k -6.88 H_dgH2 = H_dgH- + H+; log_k -4.93; H_dgH- = H_dg-2 + H+; log_k -10.56 # Mg From Lofts and Tipping, 2000 - H_aH + Mg+2 = H_aMg+ + H+; log_k -3.30 - H_bH + Mg+2 = H_bMg+ + H+; log_k -3.30 - H_cH + Mg+2 = H_cMg+ + H+; log_k -3.30 - H_dH + Mg+2 = H_dMg+ + H+; log_k -3.30 - - H_eH + Mg+2 = H_eMg+ + H+; log_k -7.12 - H_fH + Mg+2 = H_fMg+ + H+; log_k -7.12 - H_gH + Mg+2 = H_gMg+ + H+; log_k -7.12 - H_hH + Mg+2 = H_hMg+ + H+; log_k -7.12 - - H_abH2 + Mg+2 = H_abMg + 2H+; log_k -6.60 - H_adH2 + Mg+2 = H_adMg + 2H+; log_k -6.60 - H_afH2 + Mg+2 = H_afMg + 2H+; log_k -10.42 - H_ahH2 + Mg+2 = H_ahMg + 2H+; log_k -10.42 - H_bcH2 + Mg+2 = H_bcMg + 2H+; log_k -6.60 - H_beH2 + Mg+2 = H_beMg + 2H+; log_k -10.42 - H_bgH2 + Mg+2 = H_bgMg + 2H+; log_k -10.42 - H_cdH2 + Mg+2 = H_cdMg + 2H+; log_k -6.60 - H_cfH2 + Mg+2 = H_cfMg + 2H+; log_k -10.42 - H_chH2 + Mg+2 = H_chMg + 2H+; log_k -10.42 - H_deH2 + Mg+2 = H_deMg + 2H+; log_k -10.42 - H_dgH2 + Mg+2 = H_dgMg + 2H+; log_k -10.42 + H_aH + Mg+2 = H_aMg+ + H+; log_k -3.3 + H_bH + Mg+2 = H_bMg+ + H+; log_k -3.3 + H_cH + Mg+2 = H_cMg+ + H+; log_k -3.3 + H_dH + Mg+2 = H_dMg+ + H+; log_k -3.3 + + H_eH + Mg+2 = H_eMg+ + H+; log_k -7.12 + H_fH + Mg+2 = H_fMg+ + H+; log_k -7.12 + H_gH + Mg+2 = H_gMg+ + H+; log_k -7.12 + H_hH + Mg+2 = H_hMg+ + H+; log_k -7.12 + + H_abH2 + Mg+2 = H_abMg + 2 H+; log_k -6.6 + H_adH2 + Mg+2 = H_adMg + 2 H+; log_k -6.6 + H_afH2 + Mg+2 = H_afMg + 2 H+; log_k -10.42 + H_ahH2 + Mg+2 = H_ahMg + 2 H+; log_k -10.42 + H_bcH2 + Mg+2 = H_bcMg + 2 H+; log_k -6.6 + H_beH2 + Mg+2 = H_beMg + 2 H+; log_k -10.42 + H_bgH2 + Mg+2 = H_bgMg + 2 H+; log_k -10.42 + H_cdH2 + Mg+2 = H_cdMg + 2 H+; log_k -6.6 + H_cfH2 + Mg+2 = H_cfMg + 2 H+; log_k -10.42 + H_chH2 + Mg+2 = H_chMg + 2 H+; log_k -10.42 + H_deH2 + Mg+2 = H_deMg + 2 H+; log_k -10.42 + H_dgH2 + Mg+2 = H_dgMg + 2 H+; log_k -10.42 # Calcium, Lofts and Tipping, 2000 - H_aH + Ca+2 = H_aCa+ + H+; log_k -3.20 - H_bH + Ca+2 = H_bCa+ + H+; log_k -3.20 - H_cH + Ca+2 = H_cCa+ + H+; log_k -3.20 - H_dH + Ca+2 = H_dCa+ + H+; log_k -3.20 - - H_eH + Ca+2 = H_eCa+ + H+; log_k -6.99 - H_fH + Ca+2 = H_fCa+ + H+; log_k -6.99 - H_gH + Ca+2 = H_gCa+ + H+; log_k -6.99 - H_hH + Ca+2 = H_hCa+ + H+; log_k -6.99 - - H_abH2 + Ca+2 = H_abCa + 2H+; log_k -6.40 - H_adH2 + Ca+2 = H_adCa + 2H+; log_k -6.40 - H_afH2 + Ca+2 = H_afCa + 2H+; log_k -7.45 - H_ahH2 + Ca+2 = H_ahCa + 2H+; log_k -10.2 - H_bcH2 + Ca+2 = H_bcCa + 2H+; log_k -6.40 - H_beH2 + Ca+2 = H_beCa + 2H+; log_k -10.2 - H_bgH2 + Ca+2 = H_bgCa + 2H+; log_k -10.2 - H_cdH2 + Ca+2 = H_cdCa + 2H+; log_k -6.40 - H_cfH2 + Ca+2 = H_cfCa + 2H+; log_k -10.2 - H_chH2 + Ca+2 = H_chCa + 2H+; log_k -10.2 - H_deH2 + Ca+2 = H_deCa + 2H+; log_k -10.2 - H_dgH2 + Ca+2 = H_dgCa + 2H+; log_k -10.2 + H_aH + Ca+2 = H_aCa+ + H+; log_k -3.2 + H_bH + Ca+2 = H_bCa+ + H+; log_k -3.2 + H_cH + Ca+2 = H_cCa+ + H+; log_k -3.2 + H_dH + Ca+2 = H_dCa+ + H+; log_k -3.2 + + H_eH + Ca+2 = H_eCa+ + H+; log_k -6.99 + H_fH + Ca+2 = H_fCa+ + H+; log_k -6.99 + H_gH + Ca+2 = H_gCa+ + H+; log_k -6.99 + H_hH + Ca+2 = H_hCa+ + H+; log_k -6.99 + + H_abH2 + Ca+2 = H_abCa + 2 H+; log_k -6.4 + H_adH2 + Ca+2 = H_adCa + 2 H+; log_k -6.4 + H_afH2 + Ca+2 = H_afCa + 2 H+; log_k -7.45 + H_ahH2 + Ca+2 = H_ahCa + 2 H+; log_k -10.2 + H_bcH2 + Ca+2 = H_bcCa + 2 H+; log_k -6.4 + H_beH2 + Ca+2 = H_beCa + 2 H+; log_k -10.2 + H_bgH2 + Ca+2 = H_bgCa + 2 H+; log_k -10.2 + H_cdH2 + Ca+2 = H_cdCa + 2 H+; log_k -6.4 + H_cfH2 + Ca+2 = H_cfCa + 2 H+; log_k -10.2 + H_chH2 + Ca+2 = H_chCa + 2 H+; log_k -10.2 + H_deH2 + Ca+2 = H_deCa + 2 H+; log_k -10.2 + H_dgH2 + Ca+2 = H_dgCa + 2 H+; log_k -10.2 # Nickel - H_aH + Ni+2 = H_aNi+ + H+; log_k -1.4 - H_bH + Ni+2 = H_bNi+ + H+; log_k -1.4 - H_cH + Ni+2 = H_cNi+ + H+; log_k -1.4 - H_dH + Ni+2 = H_dNi+ + H+; log_k -1.4 - - H_eH + Ni+2 = H_eNi+ + H+; log_k -4.5 - H_fH + Ni+2 = H_fNi+ + H+; log_k -4.5 - H_gH + Ni+2 = H_gNi+ + H+; log_k -4.5 - H_hH + Ni+2 = H_hNi+ + H+; log_k -4.5 - - H_abH2 + Ni+2 = H_abNi + 2H+; log_k -2.8 - H_adH2 + Ni+2 = H_adNi + 2H+; log_k -2.8 - H_afH2 + Ni+2 = H_afNi + 2H+; log_k -5.9 - H_ahH2 + Ni+2 = H_ahNi + 2H+; log_k -5.9 - H_bcH2 + Ni+2 = H_bcNi + 2H+; log_k -2.8 - H_beH2 + Ni+2 = H_beNi + 2H+; log_k -5.9 - H_bgH2 + Ni+2 = H_bgNi + 2H+; log_k -5.9 - H_cdH2 + Ni+2 = H_cdNi + 2H+; log_k -2.8 - H_cfH2 + Ni+2 = H_cfNi + 2H+; log_k -5.9 - H_chH2 + Ni+2 = H_chNi + 2H+; log_k -5.9 - H_deH2 + Ni+2 = H_deNi + 2H+; log_k -5.9 - H_dgH2 + Ni+2 = H_dgNi + 2H+; log_k -5.9 + H_aH + Ni+2 = H_aNi+ + H+; log_k -1.4 + H_bH + Ni+2 = H_bNi+ + H+; log_k -1.4 + H_cH + Ni+2 = H_cNi+ + H+; log_k -1.4 + H_dH + Ni+2 = H_dNi+ + H+; log_k -1.4 + + H_eH + Ni+2 = H_eNi+ + H+; log_k -4.5 + H_fH + Ni+2 = H_fNi+ + H+; log_k -4.5 + H_gH + Ni+2 = H_gNi+ + H+; log_k -4.5 + H_hH + Ni+2 = H_hNi+ + H+; log_k -4.5 + + H_abH2 + Ni+2 = H_abNi + 2 H+; log_k -2.8 + H_adH2 + Ni+2 = H_adNi + 2 H+; log_k -2.8 + H_afH2 + Ni+2 = H_afNi + 2 H+; log_k -5.9 + H_ahH2 + Ni+2 = H_ahNi + 2 H+; log_k -5.9 + H_bcH2 + Ni+2 = H_bcNi + 2 H+; log_k -2.8 + H_beH2 + Ni+2 = H_beNi + 2 H+; log_k -5.9 + H_bgH2 + Ni+2 = H_bgNi + 2 H+; log_k -5.9 + H_cdH2 + Ni+2 = H_cdNi + 2 H+; log_k -2.8 + H_cfH2 + Ni+2 = H_cfNi + 2 H+; log_k -5.9 + H_chH2 + Ni+2 = H_chNi + 2 H+; log_k -5.9 + H_deH2 + Ni+2 = H_deNi + 2 H+; log_k -5.9 + H_dgH2 + Ni+2 = H_dgNi + 2 H+; log_k -5.9 # Copper - H_aH + Cu+2 = H_aCu+ + H+; log_k -0.63 - H_bH + Cu+2 = H_bCu+ + H+; log_k -0.63 - H_cH + Cu+2 = H_cCu+ + H+; log_k -0.63 - H_dH + Cu+2 = H_dCu+ + H+; log_k -0.63 - - H_eH + Cu+2 = H_eCu+ + H+; log_k -3.75 - H_fH + Cu+2 = H_fCu+ + H+; log_k -3.75 - H_gH + Cu+2 = H_gCu+ + H+; log_k -3.75 - H_hH + Cu+2 = H_hCu+ + H+; log_k -3.75 - - H_abH2 + Cu+2 = H_abCu + 2H+; log_k -1.26 - H_adH2 + Cu+2 = H_adCu + 2H+; log_k -1.26 - H_afH2 + Cu+2 = H_afCu + 2H+; log_k -4.38 - H_ahH2 + Cu+2 = H_ahCu + 2H+; log_k -4.38 - H_bcH2 + Cu+2 = H_bcCu + 2H+; log_k -1.26 - H_beH2 + Cu+2 = H_beCu + 2H+; log_k -4.38 - H_bgH2 + Cu+2 = H_bgCu + 2H+; log_k -4.38 - H_cdH2 + Cu+2 = H_cdCu + 2H+; log_k -1.26 - H_cfH2 + Cu+2 = H_cfCu + 2H+; log_k -4.38 - H_chH2 + Cu+2 = H_chCu + 2H+; log_k -4.38 - H_deH2 + Cu+2 = H_deCu + 2H+; log_k -4.38 - H_dgH2 + Cu+2 = H_dgCu + 2H+; log_k -4.38 + H_aH + Cu+2 = H_aCu+ + H+; log_k -0.63 + H_bH + Cu+2 = H_bCu+ + H+; log_k -0.63 + H_cH + Cu+2 = H_cCu+ + H+; log_k -0.63 + H_dH + Cu+2 = H_dCu+ + H+; log_k -0.63 + + H_eH + Cu+2 = H_eCu+ + H+; log_k -3.75 + H_fH + Cu+2 = H_fCu+ + H+; log_k -3.75 + H_gH + Cu+2 = H_gCu+ + H+; log_k -3.75 + H_hH + Cu+2 = H_hCu+ + H+; log_k -3.75 + + H_abH2 + Cu+2 = H_abCu + 2 H+; log_k -1.26 + H_adH2 + Cu+2 = H_adCu + 2 H+; log_k -1.26 + H_afH2 + Cu+2 = H_afCu + 2 H+; log_k -4.38 + H_ahH2 + Cu+2 = H_ahCu + 2 H+; log_k -4.38 + H_bcH2 + Cu+2 = H_bcCu + 2 H+; log_k -1.26 + H_beH2 + Cu+2 = H_beCu + 2 H+; log_k -4.38 + H_bgH2 + Cu+2 = H_bgCu + 2 H+; log_k -4.38 + H_cdH2 + Cu+2 = H_cdCu + 2 H+; log_k -1.26 + H_cfH2 + Cu+2 = H_cfCu + 2 H+; log_k -4.38 + H_chH2 + Cu+2 = H_chCu + 2 H+; log_k -4.38 + H_deH2 + Cu+2 = H_deCu + 2 H+; log_k -4.38 + H_dgH2 + Cu+2 = H_dgCu + 2 H+; log_k -4.38 # Zinc - H_aH + Zn+2 = H_aZn+ + H+; log_k -1.7 - H_bH + Zn+2 = H_bZn+ + H+; log_k -1.7 - H_cH + Zn+2 = H_cZn+ + H+; log_k -1.7 - H_dH + Zn+2 = H_dZn+ + H+; log_k -1.7 - - H_eH + Zn+2 = H_eZn+ + H+; log_k -4.9 - H_fH + Zn+2 = H_fZn+ + H+; log_k -4.9 - H_gH + Zn+2 = H_gZn+ + H+; log_k -4.9 - H_hH + Zn+2 = H_hZn+ + H+; log_k -4.9 - - H_abH2 + Zn+2 = H_abZn + 2H+; log_k -2.4 - H_adH2 + Zn+2 = H_adZn + 2H+; log_k -2.4 - H_afH2 + Zn+2 = H_afZn + 2H+; log_k -6.6 - H_ahH2 + Zn+2 = H_ahZn + 2H+; log_k -6.6 - H_bcH2 + Zn+2 = H_bcZn + 2H+; log_k -2.4 - H_beH2 + Zn+2 = H_beZn + 2H+; log_k -6.6 - H_bgH2 + Zn+2 = H_bgZn + 2H+; log_k -6.6 - H_cdH2 + Zn+2 = H_cdZn + 2H+; log_k -2.4 - H_cfH2 + Zn+2 = H_cfZn + 2H+; log_k -6.6 - H_chH2 + Zn+2 = H_chZn + 2H+; log_k -6.6 - H_deH2 + Zn+2 = H_deZn + 2H+; log_k -6.6 - H_dgH2 + Zn+2 = H_dgZn + 2H+; log_k -6.6 + H_aH + Zn+2 = H_aZn+ + H+; log_k -1.7 + H_bH + Zn+2 = H_bZn+ + H+; log_k -1.7 + H_cH + Zn+2 = H_cZn+ + H+; log_k -1.7 + H_dH + Zn+2 = H_dZn+ + H+; log_k -1.7 + + H_eH + Zn+2 = H_eZn+ + H+; log_k -4.9 + H_fH + Zn+2 = H_fZn+ + H+; log_k -4.9 + H_gH + Zn+2 = H_gZn+ + H+; log_k -4.9 + H_hH + Zn+2 = H_hZn+ + H+; log_k -4.9 + + H_abH2 + Zn+2 = H_abZn + 2 H+; log_k -2.4 + H_adH2 + Zn+2 = H_adZn + 2 H+; log_k -2.4 + H_afH2 + Zn+2 = H_afZn + 2 H+; log_k -6.6 + H_ahH2 + Zn+2 = H_ahZn + 2 H+; log_k -6.6 + H_bcH2 + Zn+2 = H_bcZn + 2 H+; log_k -2.4 + H_beH2 + Zn+2 = H_beZn + 2 H+; log_k -6.6 + H_bgH2 + Zn+2 = H_bgZn + 2 H+; log_k -6.6 + H_cdH2 + Zn+2 = H_cdZn + 2 H+; log_k -2.4 + H_cfH2 + Zn+2 = H_cfZn + 2 H+; log_k -6.6 + H_chH2 + Zn+2 = H_chZn + 2 H+; log_k -6.6 + H_deH2 + Zn+2 = H_deZn + 2 H+; log_k -6.6 + H_dgH2 + Zn+2 = H_dgZn + 2 H+; log_k -6.6 # Cadmium - H_aH + Cd+2 = H_aCd+ + H+; log_k -1.52 - H_bH + Cd+2 = H_bCd+ + H+; log_k -1.52 - H_cH + Cd+2 = H_cCd+ + H+; log_k -1.52 - H_dH + Cd+2 = H_dCd+ + H+; log_k -1.52 - - H_eH + Cd+2 = H_eCd+ + H+; log_k -5.57 - H_fH + Cd+2 = H_fCd+ + H+; log_k -5.57 - H_gH + Cd+2 = H_gCd+ + H+; log_k -5.57 - H_hH + Cd+2 = H_hCd+ + H+; log_k -5.57 - - H_abH2 + Cd+2 = H_abCd + 2H+; log_k -3.04 - H_adH2 + Cd+2 = H_adCd + 2H+; log_k -3.04 - H_afH2 + Cd+2 = H_afCd + 2H+; log_k -7.09 - H_ahH2 + Cd+2 = H_ahCd + 2H+; log_k -7.09 - H_bcH2 + Cd+2 = H_bcCd + 2H+; log_k -3.04 - H_beH2 + Cd+2 = H_beCd + 2H+; log_k -7.09 - H_bgH2 + Cd+2 = H_bgCd + 2H+; log_k -7.09 - H_cdH2 + Cd+2 = H_cdCd + 2H+; log_k -3.04 - H_cfH2 + Cd+2 = H_cfCd + 2H+; log_k -7.09 - H_chH2 + Cd+2 = H_chCd + 2H+; log_k -7.09 - H_deH2 + Cd+2 = H_deCd + 2H+; log_k -7.09 - H_dgH2 + Cd+2 = H_dgCd + 2H+; log_k -7.09 + H_aH + Cd+2 = H_aCd+ + H+; log_k -1.52 + H_bH + Cd+2 = H_bCd+ + H+; log_k -1.52 + H_cH + Cd+2 = H_cCd+ + H+; log_k -1.52 + H_dH + Cd+2 = H_dCd+ + H+; log_k -1.52 + + H_eH + Cd+2 = H_eCd+ + H+; log_k -5.57 + H_fH + Cd+2 = H_fCd+ + H+; log_k -5.57 + H_gH + Cd+2 = H_gCd+ + H+; log_k -5.57 + H_hH + Cd+2 = H_hCd+ + H+; log_k -5.57 + + H_abH2 + Cd+2 = H_abCd + 2 H+; log_k -3.04 + H_adH2 + Cd+2 = H_adCd + 2 H+; log_k -3.04 + H_afH2 + Cd+2 = H_afCd + 2 H+; log_k -7.09 + H_ahH2 + Cd+2 = H_ahCd + 2 H+; log_k -7.09 + H_bcH2 + Cd+2 = H_bcCd + 2 H+; log_k -3.04 + H_beH2 + Cd+2 = H_beCd + 2 H+; log_k -7.09 + H_bgH2 + Cd+2 = H_bgCd + 2 H+; log_k -7.09 + H_cdH2 + Cd+2 = H_cdCd + 2 H+; log_k -3.04 + H_cfH2 + Cd+2 = H_cfCd + 2 H+; log_k -7.09 + H_chH2 + Cd+2 = H_chCd + 2 H+; log_k -7.09 + H_deH2 + Cd+2 = H_deCd + 2 H+; log_k -7.09 + H_dgH2 + Cd+2 = H_dgCd + 2 H+; log_k -7.09 # Plumbum (Lead) - H_aH + Pb+2 = H_aPb+ + H+; log_k -0.81 - H_bH + Pb+2 = H_bPb+ + H+; log_k -0.81 - H_cH + Pb+2 = H_cPb+ + H+; log_k -0.81 - H_dH + Pb+2 = H_dPb+ + H+; log_k -0.81 - - H_eH + Pb+2 = H_ePb+ + H+; log_k -3.04 - H_fH + Pb+2 = H_fPb+ + H+; log_k -3.04 - H_gH + Pb+2 = H_gPb+ + H+; log_k -3.04 - H_hH + Pb+2 = H_hPb+ + H+; log_k -3.04 - - H_abH2 + Pb+2 = H_abPb + 2H+; log_k -1.62 - H_adH2 + Pb+2 = H_adPb + 2H+; log_k -1.62 - H_afH2 + Pb+2 = H_afPb + 2H+; log_k -3.85 - H_ahH2 + Pb+2 = H_ahPb + 2H+; log_k -3.85 - H_bcH2 + Pb+2 = H_bcPb + 2H+; log_k -1.62 - H_beH2 + Pb+2 = H_bePb + 2H+; log_k -3.85 - H_bgH2 + Pb+2 = H_bgPb + 2H+; log_k -3.85 - H_cdH2 + Pb+2 = H_cdPb + 2H+; log_k -1.62 - H_cfH2 + Pb+2 = H_cfPb + 2H+; log_k -3.85 - H_chH2 + Pb+2 = H_chPb + 2H+; log_k -3.85 - H_deH2 + Pb+2 = H_dePb + 2H+; log_k -3.85 - H_dgH2 + Pb+2 = H_dgPb + 2H+; log_k -3.85 - + H_aH + Pb+2 = H_aPb+ + H+; log_k -0.81 + H_bH + Pb+2 = H_bPb+ + H+; log_k -0.81 + H_cH + Pb+2 = H_cPb+ + H+; log_k -0.81 + H_dH + Pb+2 = H_dPb+ + H+; log_k -0.81 + + H_eH + Pb+2 = H_ePb+ + H+; log_k -3.04 + H_fH + Pb+2 = H_fPb+ + H+; log_k -3.04 + H_gH + Pb+2 = H_gPb+ + H+; log_k -3.04 + H_hH + Pb+2 = H_hPb+ + H+; log_k -3.04 + + H_abH2 + Pb+2 = H_abPb + 2 H+; log_k -1.62 + H_adH2 + Pb+2 = H_adPb + 2 H+; log_k -1.62 + H_afH2 + Pb+2 = H_afPb + 2 H+; log_k -3.85 + H_ahH2 + Pb+2 = H_ahPb + 2 H+; log_k -3.85 + H_bcH2 + Pb+2 = H_bcPb + 2 H+; log_k -1.62 + H_beH2 + Pb+2 = H_bePb + 2 H+; log_k -3.85 + H_bgH2 + Pb+2 = H_bgPb + 2 H+; log_k -3.85 + H_cdH2 + Pb+2 = H_cdPb + 2 H+; log_k -1.62 + H_cfH2 + Pb+2 = H_cfPb + 2 H+; log_k -3.85 + H_chH2 + Pb+2 = H_chPb + 2 H+; log_k -3.85 + H_deH2 + Pb+2 = H_dePb + 2 H+; log_k -3.85 + H_dgH2 + Pb+2 = H_dgPb + 2 H+; log_k -3.85 + END diff --git a/src/phreeqcinwt/databases/core10.dat b/src/phreeqcinwt/databases/core10.dat index 5b147d4..ebe2d73 100644 --- a/src/phreeqcinwt/databases/core10.dat +++ b/src/phreeqcinwt/databases/core10.dat @@ -36,7 +36,7 @@ # HOK+98: http://dx.doi.org/10.1016/S0016-7037(97)00219-6 (C2H6(g), C3H8(g)) # Hovis04: http://dx.doi.org/10.2138/am-2004-0111 (NH4-muscovite molar volume) # HSS95: http://dx.doi.org/10.1016/0016-7037(95)00314-P (55 solutes) -# Joh90: Johnson, J.W., 1990, Personal calculation, Parameters given provide smooth metastable extrapolation of one-bar steam properties predicted by the Haar et al. (1984) equation of state to temperatures < the saturation temperature (99.632 C): Earch Sci. Dept, LLNL, Livermore, CA. (H2O(g)) +# Joh90: Johnson, J.W., 1990, Personal calculation, Parameters given provide smooth metastable extrapolation of one-bar steam properties predicted by the Haar et al. (1984) equation of state to temperatures < the saturation temperature (99.632 C): Earth Sci. Dept, LLNL, Livermore, CA. (H2O(g)) # Kel60: http://www.worldcat.org/oclc/693388901 (8 gases) # M13: McColm I. J. (2013) Dictionary of Ceramic Science and Engineering, p.72. (CaUO4 molar volume) # Marion+03: http://dx.doi.org/10.1016/S0016-7037(03)00372-7 (FeOH+) @@ -6821,4 +6821,4 @@ SO2(g) -P_c 77.67 -Omega 0.251 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf # Extrapol supcrt92 -# Ref WEP+82, Kel60 \ No newline at end of file +# Ref WEP+82, Kel60 diff --git a/src/phreeqcinwt/databases/frezchem.dat b/src/phreeqcinwt/databases/frezchem.dat index 6e6097f..fb7c343 100644 --- a/src/phreeqcinwt/databases/frezchem.dat +++ b/src/phreeqcinwt/databases/frezchem.dat @@ -577,7 +577,7 @@ END # Cold aqueous planetary geochemistry with FREZCHEM: From modeling to the search for life at the limits # Springer, Berlin/Heidelberg. # -#FREZCHEM was later adaped to the present frezchem.dat PHREEQC database by Toner and Sletten (2013): +#FREZCHEM was later adapted to the present frezchem.dat PHREEQC database by Toner and Sletten (2013): # # Toner, J. D., and R. S. Sletten (2013) # The formation of Ca-Cl enriched groundwaters in the Dry Valleys of Antarctica by cation exchange reactions: Field measurements and modeling of reactive transport diff --git a/src/phreeqcinwt/databases/iso.dat b/src/phreeqcinwt/databases/iso.dat index 8558cd6..c922df3 100644 --- a/src/phreeqcinwt/databases/iso.dat +++ b/src/phreeqcinwt/databases/iso.dat @@ -1,737 +1,741 @@ +# File 1 = C:\GitPrograms\phreeqc3-1\database\iso.dat, 15/03/2024 15:26, 7231 lines, 260799 bytes, md5=319d28e882b25a6f83f095da65c50849 +# Created 17 May 2024 14:30:37 +# c:\3rdParty\lsp\lsp.exe -f2 -k="asis" -ts "iso.dat" + SOLUTION_MASTER_SPECIES -E e- 0 0 0.0 -H H3O+ -1 H 1.008 -H(0) H2 0 H -H(1) H3O+ -1 H -O H2O 0 O 16.00 -O(0) O2 0 O -O(-2) H2O 0 O -Ca Ca+2 0 Ca 40.08 -Mg Mg+2 0 Mg 24.312 -Na Na+ 0 Na 22.9898 -K K+ 0 K 39.102 -Fe Fe+2 0.0 Fe 55.847 -Fe(+2) Fe+2 0.0 Fe -Fe(+3) Fe+3 -2.0 Fe -Al Al+3 0.0 Al 26.9815 -Si H4SiO4 0.0 SiO2 28.0843 -Cl Cl- 0 Cl 35.453 -C CO2 0 HCO3 12.0111 -C(4) CO2 0 HCO3 -C(-4) CH4 0 CH4 -S SO4-2 0 S 31.972 -S(6) SO4-2 0 SO4 -S(-2) HS- 1 S -N NO3- 0 N 14.0067 -N(+5) NO3- 0 N -N(+3) NO2- 0 N -N(0) N2 0 N -N(-3) NH4+ 0 N -P PO4-3 2.0 P 30.9738 -F F- 0.0 F 18.9984 -Br Br- 0.0 Br 79.904 -Alkalinity CO2 0.0 50.05 50.05 +E e- 1 0 0 +H H3O+ -1 H 1.008 +H(0) H2 0 H +H(1) H3O+ -1 H +O H2O 0 O 16 +O(0) O2 0 O +O(-2) H2O 0 O +Ca Ca+2 0 Ca 40.08 +Mg Mg+2 0 Mg 24.312 +Na Na+ 0 Na 22.9898 +K K+ 0 K 39.102 +Fe Fe+2 0 Fe 55.847 +Fe(+2) Fe+2 0 Fe +Fe(+3) Fe+3 -2 Fe +Al Al+3 0 Al 26.9815 +Si H4SiO4 0 SiO2 28.0843 +Cl Cl- 0 Cl 35.453 +C CO2 0 HCO3 12.0111 +C(4) CO2 0 HCO3 +C(-4) CH4 0 CH4 +S SO4-2 0 S 31.972 +S(6) SO4-2 0 SO4 +S(-2) HS- 1 S +N NO3- 0 N 14.0067 +N(+5) NO3- 0 N +N(+3) NO2- 0 N +N(0) N2 0 N +N(-3) NH4+ 0 N +P PO4-3 2 P 30.9738 +F F- 0 F 18.9984 +Br Br- 0 Br 79.904 +Alkalinity CO2 0 50.05 50.05 SOLUTION_SPECIES H3O+ = H3O+ - log_k 0.000 - -gamma 9.0000 0.0000 + log_k 0 + -gamma 9 0 e- = e- - log_k 0.000 + log_k 0 H2O = H2O - log_k 0.000 + log_k 0 Ca+2 = Ca+2 - log_k 0.000 - -gamma 5.0000 0.1650 + log_k 0 + -gamma 5 0.165 Mg+2 = Mg+2 - log_k 0.000 - -gamma 5.5000 0.2000 + log_k 0 + -gamma 5.5 0.2 Na+ = Na+ - log_k 0.000 - -gamma 4.0000 0.0750 + log_k 0 + -gamma 4 0.075 K+ = K+ - log_k 0.000 - -gamma 3.5000 0.0150 + log_k 0 + -gamma 3.5 0.015 Fe+2 = Fe+2 - log_k 0.000 - -gamma 6.0000 0.0000 + log_k 0 + -gamma 6 0 Al+3 = Al+3 - log_k 0.000 - -gamma 9.0000 0.0000 + log_k 0 + -gamma 9 0 H4SiO4 = H4SiO4 - log_k 0.000 + log_k 0 Cl- = Cl- - log_k 0.000 - -gamma 3.5000 0.0150 + log_k 0 + -gamma 3.5 0.015 SO4-2 = SO4-2 - log_k 0.000 - -gamma 5.0000 -0.0400 + log_k 0 + -gamma 5 -0.04 NO3- = NO3- - log_k 0.000 - -gamma 3.0000 0.0000 + log_k 0 + -gamma 3 0 PO4-3 = PO4-3 - log_k 0.000 - -gamma 4.0000 0.0000 + log_k 0 + -gamma 4 0 F- = F- - log_k 0.000 - -gamma 3.5000 0.0000 + log_k 0 + -gamma 3.5 0 Br- = Br- - log_k 0.000 - -gamma 3.0000 0.0000 + log_k 0 + -gamma 3 0 -2H2O = OH- + H3O+ - log_k -14.000 - delta_h 13.362 kcal - -analytic -283.971 -0.05069842 13323.0 102.24447 -1119669.0 - -gamma 3.5000 0.0000 +2 H2O = OH- + H3O+ + log_k -14 + delta_h 13.362 kcal + -analytic -283.971 -0.05069842 13323 102.24447 -1119669 + -gamma 3.5 0 6 H2O = O2 + 4 H3O+ + 4 e- - log_k -86.08 - delta_h 134.79 kcal + log_k -86.08 + delta_h 134.79 kcal -2 H3O+ + 2 e- = H2 + 2H2O - log_k -3.15 - delta_h -1.759 kcal +2 H3O+ + 2 e- = H2 + 2 H2O + log_k -3.15 + delta_h -1.759 kcal -CO2 + 2H2O = HCO3- + H3O+ - log_k -6.352 - delta_h 2.177 kcal - -analytic -356.3094 -0.06092 21834.37 126.8339 -1684915 +CO2 + 2 H2O = HCO3- + H3O+ + log_k -6.352 + delta_h 2.177 kcal + -analytic -356.3094 -0.06092 21834.37 126.8339 -1684915 -CO2 + 3H2O = CO3-2 + 2H3O+ - log_k -16.681 - delta_h 5.738 kcal - -analytic -464.1965 -0.09344813 26986.16 165.75951 -2248628.9 +CO2 + 3 H2O = CO3-2 + 2 H3O+ + log_k -16.681 + delta_h 5.738 kcal + -analytic -464.1965 -0.09344813 26986.16 165.75951 -2248628.9 CO3-2 + 10 H3O+ + 8 e- = CH4 + 13 H2O - log_k 41.071 - delta_h -61.039 kcal + log_k 41.071 + delta_h -61.039 kcal SO4-2 + H3O+ = HSO4- + H2O - log_k 1.988 - delta_h 3.85 kcal - -analytic -56.889 0.006473 2307.9 19.8858 0.0 + log_k 1.988 + delta_h 3.85 kcal + -analytic -56.889 0.006473 2307.9 19.8858 0 SO4-2 + 9 H3O+ + 8 e- = HS- + 13 H2O - log_k 33.65 - delta_h -60.140 kcal - -gamma 3.5000 0.0000 + log_k 33.65 + delta_h -60.14 kcal + -gamma 3.5 0 HS- + H2O = S-2 + H3O+ - log_k -12.918 - delta_h 12.1 kcal - -gamma 5.0000 0.0000 + log_k -12.918 + delta_h 12.1 kcal + -gamma 5 0 HS- + H3O+ = H2S + H2O - log_k 6.994 - delta_h -5.300 kcal - -analytic -11.17 0.02386 3279.0 + log_k 6.994 + delta_h -5.3 kcal + -analytic -11.17 0.02386 3279 -NO3- + 2 H3O+ + 2 e- = NO2- + 3H2O - log_k 28.570 - delta_h -43.760 kcal - -gamma 3.0000 0.0000 +NO3- + 2 H3O+ + 2 e- = NO2- + 3 H2O + log_k 28.57 + delta_h -43.76 kcal + -gamma 3 0 -2 NO3- + 12 H3O+ + 10e- = N2 + 18 H2O - log_k 207.080 - delta_h -312.130 kcal +2 NO3- + 12 H3O+ + 10 e- = N2 + 18 H2O + log_k 207.08 + delta_h -312.13 kcal NH4+ + H2O = NH3 + H3O+ - log_k -9.252 - delta_h 12.48 kcal - -analytic 0.6322 -0.001225 -2835.76 + log_k -9.252 + delta_h 12.48 kcal + -analytic 0.6322 -0.001225 -2835.76 NO3- + 10 H3O+ + 8 e- = NH4+ + 13 H2O - log_k 119.077 - delta_h -187.055 kcal - -gamma 2.5000 0.0000 + log_k 119.077 + delta_h -187.055 kcal + -gamma 2.5 0 NH4+ + SO4-2 = NH4SO4- - log_k 1.11 + log_k 1.11 PO4-3 + H3O+ = HPO4-2 + H2O - log_k 12.346 - delta_h -3.530 kcal - -gamma 4.0000 0.0000 + log_k 12.346 + delta_h -3.53 kcal + -gamma 4 0 -PO4-3 + 2 H3O+ = H2PO4- + 2H2O - log_k 19.553 - delta_h -4.520 kcal - -gamma 4.5000 0.0000 +PO4-3 + 2 H3O+ = H2PO4- + 2 H2O + log_k 19.553 + delta_h -4.52 kcal + -gamma 4.5 0 H3O+ + F- = HF + H2O - log_k 3.18 - delta_h 3.18 kcal - -analytic -2.033 0.012645 429.01 + log_k 3.18 + delta_h 3.18 kcal + -analytic -2.033 0.012645 429.01 H3O+ + 2 F- = HF2- + H2O - log_k 3.760 - delta_h 4.550 kcal + log_k 3.76 + delta_h 4.55 kcal Ca+2 + OH- = CaOH+ - log_k -12.780 + log_k -12.78 Ca+2 + CO3-2 = CaCO3 - log_k 3.224 - delta_h 3.545 kcal - -analytic -1228.732 -0.299440 35512.75 485.818 + log_k 3.224 + delta_h 3.545 kcal + -analytic -1228.732 -0.29944 35512.75 485.818 #Ca+2 + HCO3- = CaHCO3+ Ca+2 + CO3-2 + H3O+ = CaHCO3+ + H2O - log_k 11.435 - delta_h -0.871 kcal - -analytic 1317.0071 0.34546894 -39916.84 -517.70761 563713.9 - -gamma 5.4000 0.0000 + log_k 11.435 + delta_h -0.871 kcal + -analytic 1317.0071 0.34546894 -39916.84 -517.70761 563713.9 + -gamma 5.4 0 Ca+2 + SO4-2 = CaSO4 - log_k 2.300 - delta_h 1.650 kcal + log_k 2.3 + delta_h 1.65 kcal Ca+2 + HSO4- = CaHSO4+ - log_k 1.08 + log_k 1.08 Ca+2 + PO4-3 = CaPO4- - log_k 6.459 - delta_h 3.100 kcal + log_k 6.459 + delta_h 3.1 kcal Ca+2 + HPO4-2 = CaHPO4 - log_k 2.739 - delta_h 3.3 kcal + log_k 2.739 + delta_h 3.3 kcal Ca+2 + H2PO4- = CaH2PO4+ - log_k 1.408 - delta_h 3.4 kcal + log_k 1.408 + delta_h 3.4 kcal Ca+2 + F- = CaF+ - log_k 0.940 - delta_h 4.120 kcal + log_k 0.94 + delta_h 4.12 kcal Mg+2 + OH- = MgOH+ - log_k -11.440 - delta_h 15.952 kcal + log_k -11.44 + delta_h 15.952 kcal Mg+2 + CO3-2 = MgCO3 - log_k 2.98 - delta_h 2.713 kcal - -analytic 0.9910 0.00667 + log_k 2.98 + delta_h 2.713 kcal + -analytic 0.991 0.00667 Mg+2 + H3O+ + CO3-2 = MgHCO3+ + H2O - log_k 11.399 - delta_h -2.771 kcal - -analytic 48.6721 0.03252849 -2614.335 -18.00263 563713.9 + log_k 11.399 + delta_h -2.771 kcal + -analytic 48.6721 0.03252849 -2614.335 -18.00263 563713.9 Mg+2 + SO4-2 = MgSO4 - log_k 2.370 - delta_h 4.550 kcal + log_k 2.37 + delta_h 4.55 kcal Mg+2 + PO4-3 = MgPO4- - log_k 6.589 - delta_h 3.100 kcal + log_k 6.589 + delta_h 3.1 kcal Mg+2 + HPO4-2 = MgHPO4 - log_k 2.87 + log_k 2.87 delta_h 3.3 kcal Mg+2 + H2PO4- = MgH2PO4+ - log_k 1.513 + log_k 1.513 delta_h 3.4 kcal Mg+2 + F- = MgF+ - log_k 1.820 - delta_h 3.200 kcal + log_k 1.82 + delta_h 3.2 kcal Na+ + OH- = NaOH - log_k -14.180 + log_k -14.18 Na+ + CO3-2 = NaCO3- - log_k 1.270 - delta_h 8.910 kcal + log_k 1.27 + delta_h 8.91 kcal Na+ + HCO3- = NaHCO3 - log_k -0.25 + log_k -0.25 Na+ + SO4-2 = NaSO4- - log_k 0.700 - delta_h 1.120 kcal + log_k 0.7 + delta_h 1.12 kcal Na+ + HPO4-2 = NaHPO4- - log_k 0.29 + log_k 0.29 Na+ + F- = NaF - log_k -0.240 + log_k -0.24 K+ + OH- = KOH - log_k -14.460 + log_k -14.46 K+ + SO4-2 = KSO4- - log_k 0.850 - delta_h 2.250 kcal - -analytic 3.106 0.0 -673.6 + log_k 0.85 + delta_h 2.25 kcal + -analytic 3.106 0 -673.6 K+ + HPO4-2 = KHPO4- - log_k 0.29 + log_k 0.29 -Fe+2 + 2H2O = FeOH+ + H3O+ - log_k -9.500 - delta_h 13.200 kcal +Fe+2 + 2 H2O = FeOH+ + H3O+ + log_k -9.5 + delta_h 13.2 kcal Fe+2 + Cl- = FeCl+ - log_k 0.140 + log_k 0.14 Fe+2 + CO3-2 = FeCO3 - log_k 4.380 + log_k 4.38 Fe+2 + HCO3- = FeHCO3+ - log_k 2.0 + log_k 2 Fe+2 + SO4-2 = FeSO4 - log_k 2.250 - delta_h 3.230 kcal + log_k 2.25 + delta_h 3.23 kcal Fe+2 + HSO4- = FeHSO4+ - log_k 1.08 + log_k 1.08 -Fe+2 + 2HS- = Fe(HS)2 - log_k 8.95 +Fe+2 + 2 HS- = Fe(HS)2 + log_k 8.95 -Fe+2 + 3HS- = Fe(HS)3- - log_k 10.987 +Fe+2 + 3 HS- = Fe(HS)3- + log_k 10.987 Fe+2 + HPO4-2 = FeHPO4 - log_k 3.6 + log_k 3.6 Fe+2 + H2PO4- = FeH2PO4+ - log_k 2.7 + log_k 2.7 Fe+2 + F- = FeF+ - log_k 1.000 + log_k 1 Fe+2 = Fe+3 + e- - log_k -13.020 - delta_h 9.680 kcal - -gamma 9.0000 0.0000 + log_k -13.02 + delta_h 9.68 kcal + -gamma 9 0 -Fe+3 + 2H2O = FeOH+2 + H3O+ - log_k -2.19 - delta_h 10.4 kcal +Fe+3 + 2 H2O = FeOH+2 + H3O+ + log_k -2.19 + delta_h 10.4 kcal -Fe+3 + 4H2O = Fe(OH)2+ + 2 H3O+ - log_k -5.67 - delta_h 17.1 kcal +Fe+3 + 4 H2O = Fe(OH)2+ + 2 H3O+ + log_k -5.67 + delta_h 17.1 kcal Fe+3 + 6 H2O = Fe(OH)3 + 3 H3O+ - log_k -12.56 - delta_h 24.8 kcal + log_k -12.56 + delta_h 24.8 kcal Fe+3 + 8 H2O = Fe(OH)4- + 4 H3O+ - log_k -21.6 - delta_h 31.9 kcal + log_k -21.6 + delta_h 31.9 kcal 2 Fe+3 + 4 H2O = Fe2(OH)2+4 + 2 H3O+ - log_k -2.95 - delta_h 13.5 kcal + log_k -2.95 + delta_h 13.5 kcal 3 Fe+3 + 8 H2O = Fe3(OH)4+5 + 4 H3O+ - log_k -6.3 - delta_h 14.3 kcal + log_k -6.3 + delta_h 14.3 kcal Fe+3 + Cl- = FeCl+2 - log_k 1.48 - delta_h 5.6 kcal + log_k 1.48 + delta_h 5.6 kcal Fe+3 + 2 Cl- = FeCl2+ - log_k 2.13 + log_k 2.13 Fe+3 + 3 Cl- = FeCl3 - log_k 1.13 + log_k 1.13 Fe+3 + SO4-2 = FeSO4+ - log_k 4.04 - delta_h 3.91 kcal + log_k 4.04 + delta_h 3.91 kcal Fe+3 + HSO4- = FeHSO4+2 - log_k 2.48 + log_k 2.48 Fe+3 + 2 SO4-2 = Fe(SO4)2- - log_k 5.38 - delta_h 4.60 kcal + log_k 5.38 + delta_h 4.6 kcal Fe+3 + HPO4-2 = FeHPO4+ - log_k 5.43 - delta_h 5.76 kcal + log_k 5.43 + delta_h 5.76 kcal Fe+3 + H2PO4- = FeH2PO4+2 - log_k 5.43 + log_k 5.43 Fe+3 + F- = FeF+2 - log_k 6.2 - delta_h 2.7 kcal + log_k 6.2 + delta_h 2.7 kcal Fe+3 + 2 F- = FeF2+ - log_k 10.8 - delta_h 4.8 kcal + log_k 10.8 + delta_h 4.8 kcal Fe+3 + 3 F- = FeF3 - log_k 14.0 - delta_h 5.4 kcal + log_k 14 + delta_h 5.4 kcal -Al+3 + 2H2O = AlOH+2 + H3O+ - log_k -5.00 - delta_h 11.49 kcal - -analytic -38.253 0.0 -656.27 14.327 +Al+3 + 2 H2O = AlOH+2 + H3O+ + log_k -5 + delta_h 11.49 kcal + -analytic -38.253 0 -656.27 14.327 Al+3 + 4 H2O = Al(OH)2+ + 2 H3O+ - log_k -10.1 - delta_h 26.90 kcal - -analytic 88.500 0.0 -9391.6 -27.121 + log_k -10.1 + delta_h 26.9 kcal + -analytic 88.5 0 -9391.6 -27.121 Al+3 + 6 H2O = Al(OH)3 + 3 H3O+ - log_k -16.9 - delta_h 39.89 kcal - -analytic 226.374 0.0 -18247.8 -73.597 + log_k -16.9 + delta_h 39.89 kcal + -analytic 226.374 0 -18247.8 -73.597 Al+3 + 8 H2O = Al(OH)4- + 4 H3O+ - log_k -22.7 - delta_h 42.30 kcal - -analytic 51.578 0.0 -11168.9 -14.865 + log_k -22.7 + delta_h 42.3 kcal + -analytic 51.578 0 -11168.9 -14.865 Al+3 + SO4-2 = AlSO4+ - log_k 3.5 + log_k 3.5 delta_h 2.29 kcal -Al+3 + 2SO4-2 = Al(SO4)2- - log_k 5.0 +Al+3 + 2 SO4-2 = Al(SO4)2- + log_k 5 delta_h 3.11 kcal Al+3 + HSO4- = AlHSO4+2 - log_k 0.46 + log_k 0.46 Al+3 + F- = AlF+2 - log_k 7.000 - delta_h 1.060 kcal + log_k 7 + delta_h 1.06 kcal Al+3 + 2 F- = AlF2+ - log_k 12.700 - delta_h 1.980 kcal + log_k 12.7 + delta_h 1.98 kcal Al+3 + 3 F- = AlF3 - log_k 16.800 - delta_h 2.160 kcal + log_k 16.8 + delta_h 2.16 kcal Al+3 + 4 F- = AlF4- - log_k 19.400 - delta_h 2.200 kcal + log_k 19.4 + delta_h 2.2 kcal Al+3 + 5 F- = AlF5-2 - log_k 20.600 - delta_h 1.840 kcal + log_k 20.6 + delta_h 1.84 kcal Al+3 + 6 F- = AlF6-3 - log_k 20.600 - delta_h -1.670 kcal + log_k 20.6 + delta_h -1.67 kcal H4SiO4 + H2O = H3SiO4- + H3O+ - log_k -9.83 - delta_h 6.12 kcal - -analytic -302.3724 -0.050698 15669.69 108.18466 -1119669.0 + log_k -9.83 + delta_h 6.12 kcal + -analytic -302.3724 -0.050698 15669.69 108.18466 -1119669 -H4SiO4 + 2H2O= H2SiO4-2 + 2 H3O+ - log_k -23.0 - delta_h 17.6 kcal - -analytic -294.0184 -0.072650 11204.49 108.18466 -1119669.0 +H4SiO4 + 2 H2O = H2SiO4-2 + 2 H3O+ + log_k -23 + delta_h 17.6 kcal + -analytic -294.0184 -0.07265 11204.49 108.18466 -1119669 H4SiO4 + 4 H3O+ + 6 F- = SiF6-2 + 8 H2O - log_k 30.180 - delta_h -16.260 kcal + log_k 30.18 + delta_h -16.26 kcal PHASES Calcite CaCO3 = CO3-2 + Ca+2 - log_k -8.480 - delta_h -2.297 kcal - -analytic -171.9065 -0.077993 2839.319 71.595 + log_k -8.48 + delta_h -2.297 kcal + -analytic -171.9065 -0.077993 2839.319 71.595 Dolomite CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2 - log_k -17.090 + log_k -17.09 delta_h -9.436 kcal Siderite FeCO3 = Fe+2 + CO3-2 - log_k -10.890 - delta_h -2.480 kcal + log_k -10.89 + delta_h -2.48 kcal Gypsum CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O - log_k -4.580 - delta_h -0.109 kcal - -analytic 68.2401 0.0 -3221.51 -25.0627 + log_k -4.58 + delta_h -0.109 kcal + -analytic 68.2401 0 -3221.51 -25.0627 Anhydrite CaSO4 = Ca+2 + SO4-2 - log_k -4.360 - delta_h -1.710 kcal - -analytic 197.52 0.0 -8669.8 -69.835 + log_k -4.36 + delta_h -1.71 kcal + -analytic 197.52 0 -8669.8 -69.835 Hydroxyapatite - Ca5(PO4)3OH + 4 H3O+ = 5H2O + 3 HPO4-2 + 5 Ca+2 - log_k -3.421 + Ca5(PO4)3OH + 4 H3O+ = 5 H2O + 3 HPO4-2 + 5 Ca+2 + log_k -3.421 delta_h -36.155 kcal Fluorite CaF2 = Ca+2 + 2 F- - log_k -10.600 - delta_h 4.690 kcal - -analytic 66.348 0.0 -4298.2 -25.271 + log_k -10.6 + delta_h 4.69 kcal + -analytic 66.348 0 -4298.2 -25.271 SiO2(a) SiO2 + 2 H2O = H4SiO4 - log_k -2.710 - delta_h 3.340 kcal - -analytic -0.26 0.0 -731.0 + log_k -2.71 + delta_h 3.34 kcal + -analytic -0.26 0 -731 Chalcedony SiO2 + 2 H2O = H4SiO4 - log_k -3.550 - delta_h 4.720 kcal - -analytic -0.09 0.0 -1032.0 + log_k -3.55 + delta_h 4.72 kcal + -analytic -0.09 0 -1032 Quartz SiO2 + 2 H2O = H4SiO4 - log_k -3.980 - delta_h 5.990 kcal - -analytic 0.41 0.0 -1309.0 + log_k -3.98 + delta_h 5.99 kcal + -analytic 0.41 0 -1309 Gibbsite Al(OH)3 + 3 H3O+ = Al+3 + 6 H2O - log_k 8.110 - delta_h -22.800 kcal + log_k 8.11 + delta_h -22.8 kcal Al(OH)3(a) Al(OH)3 + 3 H3O+ = Al+3 + 6 H2O - log_k 10.800 - delta_h -26.500 kcal + log_k 10.8 + delta_h -26.5 kcal Kaolinite - Al2Si2O5(OH)4 + 6 H3O+ = 7H2O + 2 H4SiO4 + 2 Al+3 - log_k 7.435 - delta_h -35.300 kcal + Al2Si2O5(OH)4 + 6 H3O+ = 7 H2O + 2 H4SiO4 + 2 Al+3 + log_k 7.435 + delta_h -35.3 kcal Albite NaAlSi3O8 + 8 H2O = Na+ + Al(OH)4- + 3 H4SiO4 - log_k -18.002 + log_k -18.002 delta_h 25.896 kcal Anorthite CaAl2Si2O8 + 8 H2O = Ca+2 + 2 Al(OH)4- + 2 H4SiO4 - log_k -19.714 - delta_h 11.580 kcal + log_k -19.714 + delta_h 11.58 kcal K-feldspar KAlSi3O8 + 8 H2O = K+ + Al(OH)4- + 3 H4SiO4 - log_k -20.573 - delta_h 30.820 kcal + log_k -20.573 + delta_h 30.82 kcal K-mica - KAl3Si3O10(OH)2 + 10 H3O+ = K+ + 3 Al+3 + 3 H4SiO4 + 10H2O - log_k 12.703 + KAl3Si3O10(OH)2 + 10 H3O+ = K+ + 3 Al+3 + 3 H4SiO4 + 10 H2O + log_k 12.703 delta_h -59.376 kcal Chlorite(14A) - Mg5Al2Si3O10(OH)8 + 16 H3O+ = 5Mg+2 + 2Al+3 + 3H4SiO4 + 22H2O - log_k 68.38 + Mg5Al2Si3O10(OH)8 + 16 H3O+ = 5 Mg+2 + 2 Al+3 + 3 H4SiO4 + 22 H2O + log_k 68.38 delta_h -151.494 kcal Ca-Montmorillonite - Ca0.165Al2.33Si3.67O10(OH)2 + 14 H2O = 0.165Ca+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H3O+ - log_k -45.027 - delta_h 58.373 kcal + Ca0.165Al2.33Si3.67O10(OH)2 + 14 H2O = 0.165 Ca+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H3O+ + log_k -45.027 + delta_h 58.373 kcal Talc - Mg3Si4O10(OH)2 + 4 H2O + 6 H3O+ = 3 Mg+2 + 4 H4SiO4 + 6H2O - log_k 21.399 + Mg3Si4O10(OH)2 + 4 H2O + 6 H3O+ = 3 Mg+2 + 4 H4SiO4 + 6 H2O + log_k 21.399 delta_h -46.352 kcal Illite - K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 12.4H2O = 0.6K+ + 0.25Mg+2 + 2.3Al(OH)4- + 3.5H4SiO4 + 1.2H3O+ - log_k -40.267 + K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 12.4 H2O = 0.6 K+ + 0.25 Mg+2 + 2.3 Al(OH)4- + 3.5 H4SiO4 + 1.2 H3O+ + log_k -40.267 delta_h 54.684 kcal Chrysotile - Mg3Si2O5(OH)4 + 6 H3O+ = 7H2O + 2 H4SiO4 + 3 Mg+2 - log_k 32.200 - delta_h -46.800 kcal - -analytic 13.248 0.0 10217.1 -6.1894 + Mg3Si2O5(OH)4 + 6 H3O+ = 7 H2O + 2 H4SiO4 + 3 Mg+2 + log_k 32.2 + delta_h -46.8 kcal + -analytic 13.248 0 10217.1 -6.1894 Sepiolite - Mg2Si3O7.5OH:3H2O + 4 H3O+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4 + 4H2O - log_k 15.760 - delta_h -10.700 kcal + Mg2Si3O7.5OH:3H2O + 4 H3O+ + 0.5 H2O = 2 Mg+2 + 3 H4SiO4 + 4 H2O + log_k 15.76 + delta_h -10.7 kcal Sepiolite(d) - Mg2Si3O7.5OH:3H2O + 4 H3O+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4 + 4H2O - log_k 18.660 + Mg2Si3O7.5OH:3H2O + 4 H3O+ + 0.5 H2O = 2 Mg+2 + 3 H4SiO4 + 4 H2O + log_k 18.66 Hematite Fe2O3 + 6 H3O+ = 2 Fe+3 + 9 H2O - log_k -4.008 + log_k -4.008 delta_h -30.845 kcal Goethite FeOOH + 3 H3O+ = Fe+3 + 5 H2O - log_k -1.000 - delta_h -14.48 kcal + log_k -1 + delta_h -14.48 kcal Fe(OH)3(a) Fe(OH)3 + 3 H3O+ = Fe+3 + 6 H2O - log_k 4.891 + log_k 4.891 Pyrite - FeS2 + 2H3O+ + 2e- = Fe+2 + 2HS- + 2H2O - log_k -18.479 - delta_h 11.300 kcal + FeS2 + 2 H3O+ + 2 e- = Fe+2 + 2 HS- + 2 H2O + log_k -18.479 + delta_h 11.3 kcal FeS(ppt) FeS + H3O+ = Fe+2 + HS- + H2O - log_k -3.915 + log_k -3.915 Mackinawite FeS + H3O+ = Fe+2 + HS- + H2O - log_k -4.648 + log_k -4.648 Sulfur - S + 2 H3O+ + 2e- = H2S + 2H2O - log_k 4.882 + S + 2 H3O+ + 2 e- = H2S + 2 H2O + log_k 4.882 delta_h -9.5 kcal Vivianite Fe3(PO4)2:8H2O = 3 Fe+2 + 2 PO4-3 + 8 H2O - log_k -36.000 + log_k -36 Halite - NaCl = Na+ + Cl- - log_k 1.582 + NaCl = Na+ + Cl- + log_k 1.582 delta_h 0.918 kcal CO2(g) CO2(g) = CO2 - log_k -1.468 - delta_h -4.776 kcal - -analytic 108.3865 0.01985076 -6919.53 -40.45154 669365.0 + log_k -1.468 + delta_h -4.776 kcal + -analytic 108.3865 0.01985076 -6919.53 -40.45154 669365 O2(g) O2 = O2 # log_k -2.960 # delta_h -1.844 kcal # log K from llnl.dat Dec 8, 2010 - log_k -2.8983 - -analytic -7.5001e+000 7.8981e-003 0.0000e+000 0.0000e+000 2.0027e+005 + log_k -2.8983 + -analytic -7.5001e+0 7.8981e-3 0e+0 0e+0 2.0027e+5 H2(g) H2 = H2 - log_k -3.150 - delta_h -1.759 kcal + log_k -3.15 + delta_h -1.759 kcal H2O(g) H2O = H2O - log_k 1.51 - delta_h -44.03 kJ + log_k 1.51 + delta_h -44.03 kJ N2(g) N2 = N2 - log_k -3.260 - delta_h -1.358 kcal + log_k -3.26 + delta_h -1.358 kcal H2S(g) H2S = H2S - log_k -0.997 - delta_h -4.570 kcal + log_k -0.997 + delta_h -4.57 kcal CH4(g) CH4 = CH4 - log_k -2.860 - delta_h -3.373 kcal + log_k -2.86 + delta_h -3.373 kcal NH3(g) NH3 = NH3 - log_k 1.770 - delta_h -8.170 kcal + log_k 1.77 + delta_h -8.17 kcal Melanterite FeSO4:7H2O = 7 H2O + Fe+2 + SO4-2 - log_k -2.209 - delta_h 4.910 kcal - -analytic 1.447 -0.004153 0.0 0.0 -214949.0 + log_k -2.209 + delta_h 4.91 kcal + -analytic 1.447 -0.004153 0 0 -214949 Alunite - KAl3(SO4)2(OH)6 + 6 H3O+ = K+ + 3 Al+3 + 2 SO4-2 + 12H2O - log_k -1.400 - delta_h -50.250 kcal + KAl3(SO4)2(OH)6 + 6 H3O+ = K+ + 3 Al+3 + 2 SO4-2 + 12 H2O + log_k -1.4 + delta_h -50.25 kcal Jarosite-K KFe3(SO4)2(OH)6 + 6 H3O+ = 3 Fe+3 + 12 H2O + K+ + 2 SO4-2 - log_k -9.210 - delta_h -31.280 kcal + log_k -9.21 + delta_h -31.28 kcal EXCHANGE_MASTER_SPECIES - X X- + X X- EXCHANGE_SPECIES X- = X- - log_k 0.0 + log_k 0 Na+ + X- = NaX - log_k 0.0 - -gamma 4.0 0.075 + log_k 0 + -gamma 4 0.075 K+ + X- = KX - log_k 0.7 - -gamma 3.5 0.015 - delta_h -4.3 # Jardine & Sparks, 1984 + log_k 0.7 + -gamma 3.5 0.015 + delta_h -4.3 # Jardine & Sparks, 1984 NH4+ + X- = NH4X - log_k 0.6 - -gamma 2.5 0.0 - delta_h -2.4 # Laudelout et al., 1968 + log_k 0.6 + -gamma 2.5 0 + delta_h -2.4 # Laudelout et al., 1968 - Ca+2 + 2X- = CaX2 - log_k 0.8 - -gamma 5.0 0.165 - delta_h 7.2 # Van Bladel & Gheyl, 1980 + Ca+2 + 2 X- = CaX2 + log_k 0.8 + -gamma 5 0.165 + delta_h 7.2 # Van Bladel & Gheyl, 1980 - Mg+2 + 2X- = MgX2 - log_k 0.6 - -gamma 5.5 0.2 - delta_h 7.4 # Laudelout et al., 1968 + Mg+2 + 2 X- = MgX2 + log_k 0.6 + -gamma 5.5 0.2 + delta_h 7.4 # Laudelout et al., 1968 - Fe+2 + 2X- = FeX2 - log_k 0.44 - -gamma 6.0 0.0 + Fe+2 + 2 X- = FeX2 + log_k 0.44 + -gamma 6 0 - Al+3 + 3X- = AlX3 - log_k 0.41 - -gamma 9.0 0.0 + Al+3 + 3 X- = AlX3 + log_k 0.41 + -gamma 9 0 - AlOH+2 + 2X- = AlOHX2 - log_k 0.89 - -gamma 0.0 0.0 + AlOH+2 + 2 X- = AlOHX2 + log_k 0.89 + -gamma 0 0 SURFACE_MASTER_SPECIES - Hfo_s Hfo_sOH - Hfo_w Hfo_wOH + Hfo_s Hfo_sOH + Hfo_w Hfo_wOH SURFACE_SPECIES # All surface data from @@ -743,24 +747,24 @@ SURFACE_SPECIES # strong binding site--Hfo_s, Hfo_sOH = Hfo_sOH - log_k 0.0 + log_k 0 - Hfo_sOH + H3O+ = Hfo_sOH2+ + H2O - log_k 7.29 # = pKa1,int + Hfo_sOH + H3O+ = Hfo_sOH2+ + H2O + log_k 7.29 # = pKa1,int Hfo_sOH + H2O = Hfo_sO- + H3O+ - log_k -8.93 # = -pKa2,int + log_k -8.93 # = -pKa2,int # weak binding site--Hfo_w Hfo_wOH = Hfo_wOH - log_k 0.0 + log_k 0 - Hfo_wOH + H3O+ = Hfo_wOH2+ + H2O - log_k 7.29 # = pKa1,int + Hfo_wOH + H3O+ = Hfo_wOH2+ + H2O + log_k 7.29 # = pKa1,int Hfo_wOH + H2O = Hfo_wO- + H3O+ - log_k -8.93 # = -pKa2,int + log_k -8.93 # = -pKa2,int ############################################### # CATIONS # @@ -770,7 +774,7 @@ SURFACE_SPECIES # # Calcium Hfo_sOH + Ca+2 = Hfo_sOHCa+2 - log_k 4.97 + log_k 4.97 Hfo_wOH + Ca+2 + H2O = Hfo_wOCa+ + H3O+ log_k -5.85 @@ -789,12 +793,12 @@ SURFACE_SPECIES # Iron, strong site: Appelo, Van der Weiden, Tournassat & Charlet, subm. Hfo_sOH + Fe+2 + H2O = Hfo_sOFe+ + H3O+ - log_k -0.95 + log_k -0.95 # Iron, weak site: Liger et al., GCA 63, 2939, re-optimized for D&M Hfo_wOH + Fe+2 + H2O = Hfo_wOFe+ + H3O+ log_k -2.98 - Hfo_wOH + Fe+2 + 3H2O = Hfo_wOFeOH + 2H3O+ + Hfo_wOH + Fe+2 + 3 H2O = Hfo_wOFeOH + 2 H3O+ log_k -11.55 ############################################### @@ -804,38 +808,38 @@ SURFACE_SPECIES # Anions from table 10.6 # # Phosphate - Hfo_wOH + PO4-3 + 3 H3O+ = Hfo_wH2PO4 + 4H2O - log_k 31.29 + Hfo_wOH + PO4-3 + 3 H3O+ = Hfo_wH2PO4 + 4 H2O + log_k 31.29 - Hfo_wOH + PO4-3 + 2 H3O+ = Hfo_wHPO4- + 3H2O - log_k 25.39 + Hfo_wOH + PO4-3 + 2 H3O+ = Hfo_wHPO4- + 3 H2O + log_k 25.39 - Hfo_wOH + PO4-3 + H3O+ = Hfo_wPO4-2 + 2H2O - log_k 17.72 + Hfo_wOH + PO4-3 + H3O+ = Hfo_wPO4-2 + 2 H2O + log_k 17.72 # # Anions from table 10.7 # # Sulfate - Hfo_wOH + SO4-2 + H3O+ = Hfo_wSO4- + 2H2O - log_k 7.78 + Hfo_wOH + SO4-2 + H3O+ = Hfo_wSO4- + 2 H2O + log_k 7.78 Hfo_wOH + SO4-2 = Hfo_wOHSO4-2 - log_k 0.79 + log_k 0.79 # # Derived constants table 10.10 # - Hfo_wOH + F- + H3O+ = Hfo_wF + 2H2O - log_k 8.7 + Hfo_wOH + F- + H3O+ = Hfo_wF + 2 H2O + log_k 8.7 Hfo_wOH + F- = Hfo_wOHF- - log_k 1.6 + log_k 1.6 # # Carbonate: Van Geen et al., 1994 reoptimized for HFO # 0.15 g HFO/L has 0.344 mM sites == 2 g of Van Geen's Goethite/L # # Hfo_wOH + CO3-2 + H3O+ = Hfo_wCO3- + 2H2O # log_k 12.56 -# +# # Hfo_wOH + CO3-2 + 2 H3O+= Hfo_wHCO3 + 3 H2O # log_k 20.62 @@ -850,641 +854,641 @@ SURFACE_SPECIES ############################################################################################### SOLUTION_MASTER_SPECIES ############################################################################################### -D D2O 0 D 2 -D(1) D2O 0 D -D(0) HD 0 D -T HTO 0 T 3 -T(1) HTO 0 T -T(0) HT 0 T -[18O] H2[18O] 0 [18O] 18 -[18O](-2) H2[18O] 0 [18O] 18 -[18O](0) O[18O] 0 [18O] 18 -[13C] [13C]O2 0 [13C] 13 -[13C](4) [13C]O2 0 [13C] -[13C](-4) [13C]H4 0 [13C] -[14C] [14C]O2 0 [14C] 14 -[14C](4) [14C]O2 0 [14C] -[14C](-4) [14C]H4 0 [14C] -[34S] [34S]O4-2 0 [34S] 33.967 -[34S](6) [34S]O4-2 0 [34S] -[34S](-2) H[34S]- 0 [34S] -[15N] [15N]O3- 0 [15N] 15.00010897312 -[15N](5) [15N]O3- 0 [15N] -[15N](3) [15N]O2- 0 [15N] -[15N](0) N[15N] 0 [15N] -[15N](-3) [15N]H4+ 0 [15N] +D D2O 0 D 2 +D(1) D2O 0 D +D(0) HD 0 D +T HTO 0 T 3 +T(1) HTO 0 T +T(0) HT 0 T +[18O] H2[18O] 0 [18O] 18 +[18O](-2) H2[18O] 0 [18O] 18 +[18O](0) O[18O] 0 [18O] 18 +[13C] [13C]O2 0 [13C] 13 +[13C](4) [13C]O2 0 [13C] +[13C](-4) [13C]H4 0 [13C] +[14C] [14C]O2 0 [14C] 14 +[14C](4) [14C]O2 0 [14C] +[14C](-4) [14C]H4 0 [14C] +[34S] [34S]O4-2 0 [34S] 33.967 +[34S](6) [34S]O4-2 0 [34S] +[34S](-2) H[34S]- 0 [34S] +[15N] [15N]O3- 0 [15N] 15.00010897312 +[15N](5) [15N]O3- 0 [15N] +[15N](3) [15N]O2- 0 [15N] +[15N](0) N[15N] 0 [15N] +[15N](-3) [15N]H4+ 0 [15N] ############################################################################################### ISOTOPES ############################################################################################### H - -isotope D permil 155.76e-6 # VSMOW (Clark and Fritz, 1997) - -isotope T TU 1e-18 # Solomon and Cook, in eds, Cook and Herczeg, 2000 + -isotope D permil 155.76e-6 # VSMOW (Clark and Fritz, 1997) + -isotope T TU 1e-18 # Solomon and Cook, in eds, Cook and Herczeg, 2000 H(0) - -isotope D(0) permil 155.76e-6 # VSMOW (Clark and Fritz, 1997) - -isotope T(0) TU 1e-18 # Solomon and Cook, in eds, Cook and Herczeg, 2000 + -isotope D(0) permil 155.76e-6 # VSMOW (Clark and Fritz, 1997) + -isotope T(0) TU 1e-18 # Solomon and Cook, in eds, Cook and Herczeg, 2000 # 1 THO in 10^18 H2O # -isotope T pCi/L 3.125e-18 # #1e-18/3.2 = T/mol H2O -C - -isotope [13C] permil 0.0111802 # VPDB, Vienna Pee Dee Belemnite +C + -isotope [13C] permil 0.0111802 # VPDB, Vienna Pee Dee Belemnite # Chang and Li, 1990, Chinese Science Bulletin - -isotope [13C](4) permil 0.0111802 # VPDB, Vienna Pee Dee Belemnite + -isotope [13C](4) permil 0.0111802 # VPDB, Vienna Pee Dee Belemnite # Chang and Li, 1990, Chinese Science Bulletin - -isotope [13C](-4) permil 0.0111802 # VPDB, Vienna Pee Dee Belemnite - -isotope [14C] pmc 1.175887709e-12 # Mole fraction of 14C in Modern Carbon - -isotope [14C](4) pmc 1.175887709e-12 # Mole fraction of 14C in Modern Carbon + -isotope [13C](-4) permil 0.0111802 # VPDB, Vienna Pee Dee Belemnite + -isotope [14C] pmc 1.175887709e-12 # Mole fraction of 14C in Modern Carbon + -isotope [14C](4) pmc 1.175887709e-12 # Mole fraction of 14C in Modern Carbon # 13.56 Modern Carbon dpm (Kalin, in eds, Cook and Herczeg, 2000) - -isotope [14C](-4) pmc 1.175887709e-12 # Mole fraction of 14C in Modern Carbon -C(4) - -isotope [13C](4) permil 0.0111802 # VPDB, Vienna Pee Dee Belemnite + -isotope [14C](-4) pmc 1.175887709e-12 # Mole fraction of 14C in Modern Carbon +C(4) + -isotope [13C](4) permil 0.0111802 # VPDB, Vienna Pee Dee Belemnite # Chang and Li, 1990, Chinese Science Bulletin - -isotope [14C](4) pmc 1.175887709e-12 # Mole fraction of 14C in Modern Carbon + -isotope [14C](4) pmc 1.175887709e-12 # Mole fraction of 14C in Modern Carbon # 13.56 Modern Carbon dpm (Kalin, in eds, Cook and Herczeg, 2000) # 13.56 Modern Carbon dpm (Kalin, in eds, Cook and Herczeg, 2000) -C(-4) - -isotope [13C](-4) permil 0.0111802 # VPDB, Vienna Pee Dee Belemnite - -isotope [14C](-4) pmc 1.175887709e-12 # Mole fraction of 14C in Modern Carbon +C(-4) + -isotope [13C](-4) permil 0.0111802 # VPDB, Vienna Pee Dee Belemnite + -isotope [14C](-4) pmc 1.175887709e-12 # Mole fraction of 14C in Modern Carbon # 14C calculation # # lambda = ln(2)/(5730 yrs * 3.15576e7 sec/yr) - # mole/g carbon = -(dn/dt)/lambda = 0.226 dps / 3.8332476e-12 / 6.022136736e23 + # mole/g carbon = -(dn/dt)/lambda = 0.226 dps / 3.8332476e-12 / 6.022136736e23 # mole C/g C NBS Oxalic Acid with 13C = -19.3: 0.08325783313 # mole 14C/mol Modern Carbon mol/g carbon/ (mole C/g C) = 1.175887709e-12 # O - -isotope [18O] permil 2005.2e-6 # VSMOW (Clark and Fritz, 1997) - -isotope [18O](0) permil 2005.2e-6 # VSMOW (Clark and Fritz, 1997) + -isotope [18O] permil 2005.2e-6 # VSMOW (Clark and Fritz, 1997) + -isotope [18O](0) permil 2005.2e-6 # VSMOW (Clark and Fritz, 1997) O(0) - -isotope [18O](0) permil 2005.2e-6 # VSMOW (Clark and Fritz, 1997) + -isotope [18O](0) permil 2005.2e-6 # VSMOW (Clark and Fritz, 1997) S # Coplen and others, 2002 - -isotope [34S] permil 0.04416264 # VCDT, Vienna Canyon Diablo Troilite - -isotope [34S](6) permil 0.04416264 # VCDT - -isotope [34S](-2) permil 0.04416264 # VCDT + -isotope [34S] permil 0.04416264 # VCDT, Vienna Canyon Diablo Troilite + -isotope [34S](6) permil 0.04416264 # VCDT + -isotope [34S](-2) permil 0.04416264 # VCDT S(6) - -isotope [34S](6) permil 0.04416264 # VCDT + -isotope [34S](6) permil 0.04416264 # VCDT S(-2) - -isotope [34S](-2) permil 0.04416264 # VCDT + -isotope [34S](-2) permil 0.04416264 # VCDT N # Coplen and others, 2002 - -isotope [15N] permil 0.003676867 # Air - -isotope [15N](5) permil 0.003676867 # Air - -isotope [15N](3) permil 0.003676867 # Air - -isotope [15N](0) permil 0.003676867 # Air - -isotope [15N](-3) permil 0.003676867 # Air + -isotope [15N] permil 0.003676867 # Air + -isotope [15N](5) permil 0.003676867 # Air + -isotope [15N](3) permil 0.003676867 # Air + -isotope [15N](0) permil 0.003676867 # Air + -isotope [15N](-3) permil 0.003676867 # Air N(5) - -isotope [15N](5) permil 0.003676867 # Air + -isotope [15N](5) permil 0.003676867 # Air N(3) - -isotope [15N](3) permil 0.003676867 # Air + -isotope [15N](3) permil 0.003676867 # Air N(0) - -isotope [15N](0) permil 0.003676867 # Air + -isotope [15N](0) permil 0.003676867 # Air N(-3) - -isotope [15N](-3) permil 0.003676867 # Air + -isotope [15N](-3) permil 0.003676867 # Air ############################################################################################### ISOTOPE_RATIOS ############################################################################################### # # Total aqueous ratios # - R(D) D - R(T) T - R(18O) [18O] - R(13C) [13C] - R(14C) [14C] - R(15N) [15N] - R(34S) [34S] + R(D) D + R(T) T + R(18O) [18O] + R(13C) [13C] + R(14C) [14C] + R(15N) [15N] + R(34S) [34S] # H2O(l) ratios - R(D)_H2O(l) D - R(T)_H2O(l) T - R(18O)_H2O(l) [18O] + R(D)_H2O(l) D + R(T)_H2O(l) T + R(18O)_H2O(l) [18O] # OH- ratios - R(D)_OH- D - R(T)_OH- T - R(18O)_OH- [18O] + R(D)_OH- D + R(T)_OH- T + R(18O)_OH- [18O] # H3O+ ratios - R(D)_H3O+ D - R(T)_H3O+ T - R(18O)_H3O+ [18O] + R(D)_H3O+ D + R(T)_H3O+ T + R(18O)_H3O+ [18O] # O2(aq) ratios - R(18O)_O2(aq) [18O] + R(18O)_O2(aq) [18O] # H2(aq) ratios - R(D)_H2(aq) D - R(T)_H2(aq) T + R(D)_H2(aq) D + R(T)_H2(aq) T # CO2(aq) ratios - R(13C)_CO2(aq) [13C] - R(14C)_CO2(aq) [14C] - R(18O)_CO2(aq) [18O] + R(13C)_CO2(aq) [13C] + R(14C)_CO2(aq) [14C] + R(18O)_CO2(aq) [18O] # HCO3- ratios - R(D)_HCO3- D - R(T)_HCO3- T - R(18O)_HCO3- [18O] - R(13C)_HCO3- [13C] - R(14C)_HCO3- [14C] + R(D)_HCO3- D + R(T)_HCO3- T + R(18O)_HCO3- [18O] + R(13C)_HCO3- [13C] + R(14C)_HCO3- [14C] # CO3-2 ratios - R(18O)_CO3-2 [18O] - R(13C)_CO3-2 [13C] - R(14C)_CO3-2 [14C] + R(18O)_CO3-2 [18O] + R(13C)_CO3-2 [13C] + R(14C)_CO3-2 [14C] # CH4(aq) ratios - R(D)_CH4(aq) D - R(T)_CH4(aq) T - R(13C)_CH4(aq) [13C] - R(14C)_CH4(aq) [14C] + R(D)_CH4(aq) D + R(T)_CH4(aq) T + R(13C)_CH4(aq) [13C] + R(14C)_CH4(aq) [14C] # SO4-2 ratios - R(34S)_SO4-2 [34S] + R(34S)_SO4-2 [34S] # HSO4- ratios - R(D)_HSO4- D - R(T)_HSO4- T - R(34S)_HSO4- [34S] + R(D)_HSO4- D + R(T)_HSO4- T + R(34S)_HSO4- [34S] # S-2 ratios - R(34S)_S-2 [34S] + R(34S)_S-2 [34S] # HS- ratios - R(D)_HS- D - R(T)_HS- T - R(34S)_HS- [34S] + R(D)_HS- D + R(T)_HS- T + R(34S)_HS- [34S] # H2S ratios - R(D)_H2S(aq) D - R(T)_H2S(aq) T - R(34S)_H2S(aq) [34S] + R(D)_H2S(aq) D + R(T)_H2S(aq) T + R(34S)_H2S(aq) [34S] # NO3- ratios - R(15N)_NO3- [15N] + R(15N)_NO3- [15N] # NO2- ratios - R(15N)_NO2- [15N] + R(15N)_NO2- [15N] # N2(aq) ratios - R(15N)_N2(aq) [15N] + R(15N)_N2(aq) [15N] # NH3(aq) ratios - R(D)_NH3(aq) D - R(T)_NH3(aq) T - R(15N)_NH3(aq) [15N] + R(D)_NH3(aq) D + R(T)_NH3(aq) T + R(15N)_NH3(aq) [15N] # NH4+ ratios - R(D)_NH4+ D - R(T)_NH4+ T - R(15N)_NH4+ [15N] + R(D)_NH4+ D + R(T)_NH4+ T + R(15N)_NH4+ [15N] # # Ratios for minerals and gases # # H2O(g) ratios - R(D)_H2O(g) D - R(T)_H2O(g) T - R(18O)_H2O(g) [18O] + R(D)_H2O(g) D + R(T)_H2O(g) T + R(18O)_H2O(g) [18O] # O2(g) ratios - R(18O)_O2(g) [18O] + R(18O)_O2(g) [18O] # H2(g) ratios - R(D)_H2(g) D - R(T)_H2(g) T + R(D)_H2(g) D + R(T)_H2(g) T # CO2(g) ratios - R(18O)_CO2(g) [18O] - R(13C)_CO2(g) [13C] - R(14C)_CO2(g) [14C] + R(18O)_CO2(g) [18O] + R(13C)_CO2(g) [13C] + R(14C)_CO2(g) [14C] # Calcite ratios - R(18O)_Calcite [18O] - R(13C)_Calcite [13C] - R(14C)_Calcite [14C] + R(18O)_Calcite [18O] + R(13C)_Calcite [13C] + R(14C)_Calcite [14C] # Pyrite ratios - R(34S)_Pyrite [34S] + R(34S)_Pyrite [34S] # CH4(g) ratios - R(D)_CH4(g) D - R(T)_CH4(g) T - R(13C)_CH4(g) [13C] - R(14C)_CH4(g) [14C] + R(D)_CH4(g) D + R(T)_CH4(g) T + R(13C)_CH4(g) [13C] + R(14C)_CH4(g) [14C] # H2S(g) ratios - R(D)_H2S(g) D - R(T)_H2S(g) T - R(34S)_H2S(g) [34S] + R(D)_H2S(g) D + R(T)_H2S(g) T + R(34S)_H2S(g) [34S] # Gypsum ratios - R(34S)_Gypsum [34S] + R(34S)_Gypsum [34S] # Anhydrite ratios - R(34S)_Anhydrite [34S] + R(34S)_Anhydrite [34S] # N2(g) ratios - R(15N)_N2(g) [15N] + R(15N)_N2(g) [15N] # NH3(g) ratios - R(D)_NH3(g) D - R(T)_NH3(g) T - R(15N)_NH3(g) [15N] + R(D)_NH3(g) D + R(T)_NH3(g) T + R(15N)_NH3(g) [15N] ISOTOPE_ALPHAS # OH- - Alpha_D_OH-/H2O(l) Log_alpha_D_OH-/H2O(l) - Alpha_T_OH-/H2O(l) Log_alpha_T_OH-/H2O(l) - Alpha_18O_OH-/H2O(l) Log_alpha_18O_OH-/H2O(l) + Alpha_D_OH-/H2O(l) Log_alpha_D_OH-/H2O(l) + Alpha_T_OH-/H2O(l) Log_alpha_T_OH-/H2O(l) + Alpha_18O_OH-/H2O(l) Log_alpha_18O_OH-/H2O(l) # H3O+ - Alpha_D_H3O+/H2O(l) Log_alpha_D_H3O+/H2O(l) - Alpha_T_H3O+/H2O(l) Log_alpha_T_H3O+/H2O(l) - Alpha_18O_H3O+/H2O(l) Log_alpha_18O_H3O+/H2O(l) + Alpha_D_H3O+/H2O(l) Log_alpha_D_H3O+/H2O(l) + Alpha_T_H3O+/H2O(l) Log_alpha_T_H3O+/H2O(l) + Alpha_18O_H3O+/H2O(l) Log_alpha_18O_H3O+/H2O(l) # O2(aq) - Alpha_18O_O2(aq)/H2O(l) Log_alpha_18O_O2(aq)/H2O(l) + Alpha_18O_O2(aq)/H2O(l) Log_alpha_18O_O2(aq)/H2O(l) # H2(aq) - Alpha_D_H2(aq)/H2O(l) Log_alpha_D_H2(aq)/H2O(l) - Alpha_T_H2(aq)/H2O(l) Log_alpha_T_H2(aq)/H2O(l) + Alpha_D_H2(aq)/H2O(l) Log_alpha_D_H2(aq)/H2O(l) + Alpha_T_H2(aq)/H2O(l) Log_alpha_T_H2(aq)/H2O(l) # CO2(aq) - Alpha_18O_CO2(aq)/H2O(l) Log_alpha_18O_CO2(aq)/H2O(l) - Alpha_13C_CO2(aq)/CO2(g) Log_alpha_13C_CO2(aq)/CO2(g) - Alpha_14C_CO2(aq)/CO2(g) Log_alpha_14C_CO2(aq)/CO2(g) + Alpha_18O_CO2(aq)/H2O(l) Log_alpha_18O_CO2(aq)/H2O(l) + Alpha_13C_CO2(aq)/CO2(g) Log_alpha_13C_CO2(aq)/CO2(g) + Alpha_14C_CO2(aq)/CO2(g) Log_alpha_14C_CO2(aq)/CO2(g) # HCO3- - Alpha_D_HCO3-/H2O(l) Log_alpha_D_HCO3-/H2O(l) - Alpha_T_HCO3-/H2O(l) Log_alpha_T_HCO3-/H2O(l) - Alpha_18O_HCO3-/H2O(l) Log_alpha_18O_HCO3-/H2O(l) - Alpha_13C_HCO3-/CO2(aq) Log_alpha_13C_HCO3-/CO2(aq) - Alpha_14C_HCO3-/CO2(aq) Log_alpha_14C_HCO3-/CO2(aq) - Alpha_13C_HCO3-/CO2(g) Log_alpha_13C_HCO3-/CO2(g) - Alpha_14C_HCO3-/CO2(g) Log_alpha_14C_HCO3-/CO2(g) + Alpha_D_HCO3-/H2O(l) Log_alpha_D_HCO3-/H2O(l) + Alpha_T_HCO3-/H2O(l) Log_alpha_T_HCO3-/H2O(l) + Alpha_18O_HCO3-/H2O(l) Log_alpha_18O_HCO3-/H2O(l) + Alpha_13C_HCO3-/CO2(aq) Log_alpha_13C_HCO3-/CO2(aq) + Alpha_14C_HCO3-/CO2(aq) Log_alpha_14C_HCO3-/CO2(aq) + Alpha_13C_HCO3-/CO2(g) Log_alpha_13C_HCO3-/CO2(g) + Alpha_14C_HCO3-/CO2(g) Log_alpha_14C_HCO3-/CO2(g) # CO3-2 - Alpha_18O_CO3-2/H2O(l) Log_alpha_18O_CO3-2/H2O(l) - Alpha_13C_CO3-2/CO2(aq) Log_alpha_13C_CO3-2/CO2(aq) - Alpha_14C_CO3-2/CO2(aq) Log_alpha_14C_CO3-2/CO2(aq) - Alpha_13C_CO3-2/CO2(g) Log_alpha_13C_CO3-2/CO2(g) - Alpha_14C_CO3-2/CO2(g) Log_alpha_14C_CO3-2/CO2(g) + Alpha_18O_CO3-2/H2O(l) Log_alpha_18O_CO3-2/H2O(l) + Alpha_13C_CO3-2/CO2(aq) Log_alpha_13C_CO3-2/CO2(aq) + Alpha_14C_CO3-2/CO2(aq) Log_alpha_14C_CO3-2/CO2(aq) + Alpha_13C_CO3-2/CO2(g) Log_alpha_13C_CO3-2/CO2(g) + Alpha_14C_CO3-2/CO2(g) Log_alpha_14C_CO3-2/CO2(g) # CH4(aq) - Alpha_D_CH4(aq)/H2O(l) Log_alpha_D_CH4(aq)/H2O(l) - Alpha_T_CH4(aq)/H2O(l) Log_alpha_T_CH4(aq)/H2O(l) - Alpha_13C_CH4(aq)/CO2(aq) Log_alpha_13C_CH4(aq)/CO2(aq) - Alpha_14C_CH4(aq)/CO2(aq) Log_alpha_14C_CH4(aq)/CO2(aq) + Alpha_D_CH4(aq)/H2O(l) Log_alpha_D_CH4(aq)/H2O(l) + Alpha_T_CH4(aq)/H2O(l) Log_alpha_T_CH4(aq)/H2O(l) + Alpha_13C_CH4(aq)/CO2(aq) Log_alpha_13C_CH4(aq)/CO2(aq) + Alpha_14C_CH4(aq)/CO2(aq) Log_alpha_14C_CH4(aq)/CO2(aq) # HSO4- - Alpha_D_HSO4-/H2O(l) Log_alpha_D_HSO4-/H2O(l) - Alpha_T_HSO4-/H2O(l) Log_alpha_T_HSO4-/H2O(l) - Alpha_34S_HSO4-/SO4-2 Log_alpha_34S_HSO4-/SO4-2 + Alpha_D_HSO4-/H2O(l) Log_alpha_D_HSO4-/H2O(l) + Alpha_T_HSO4-/H2O(l) Log_alpha_T_HSO4-/H2O(l) + Alpha_34S_HSO4-/SO4-2 Log_alpha_34S_HSO4-/SO4-2 # S-2 - Alpha_34S_S-2/HS- Log_alpha_34S_S-2/HS- + Alpha_34S_S-2/HS- Log_alpha_34S_S-2/HS- # HS- - Alpha_D_HS-/H2O(l) Log_alpha_D_HS-/H2O(l) - Alpha_T_HS-/H2O(l) Log_alpha_T_HS-/H2O(l) - Alpha_34S_HS-/SO4-2 Log_alpha_34S_HS-/SO4-2 + Alpha_D_HS-/H2O(l) Log_alpha_D_HS-/H2O(l) + Alpha_T_HS-/H2O(l) Log_alpha_T_HS-/H2O(l) + Alpha_34S_HS-/SO4-2 Log_alpha_34S_HS-/SO4-2 # H2S - Alpha_D_H2S(aq)/H2O(l) Log_alpha_D_H2S(aq)/H2O(l) - Alpha_T_H2S(aq)/H2O(l) Log_alpha_T_H2S(aq)/H2O(l) - Alpha_34S_H2S(aq)/HS- Log_alpha_34S_H2S(aq)/HS- + Alpha_D_H2S(aq)/H2O(l) Log_alpha_D_H2S(aq)/H2O(l) + Alpha_T_H2S(aq)/H2O(l) Log_alpha_T_H2S(aq)/H2O(l) + Alpha_34S_H2S(aq)/HS- Log_alpha_34S_H2S(aq)/HS- # NO2- - Alpha_15N_NO2-/NO3- Log_alpha_15N_NO2-/NO3- + Alpha_15N_NO2-/NO3- Log_alpha_15N_NO2-/NO3- # N2(aq) - Alpha_15N_N2(aq)/NO3- Log_alpha_15N_N2(aq)/NO3- + Alpha_15N_N2(aq)/NO3- Log_alpha_15N_N2(aq)/NO3- # NH3(aq) - Alpha_D_NH3(aq)/H2O(l) Log_alpha_D_NH3(aq)/H2O(l) - Alpha_T_NH3(aq)/H2O(l) Log_alpha_T_NH3(aq)/H2O(l) - Alpha_15N_NH3(aq)/NO3- Log_alpha_15N_NH3(aq)/NO3- + Alpha_D_NH3(aq)/H2O(l) Log_alpha_D_NH3(aq)/H2O(l) + Alpha_T_NH3(aq)/H2O(l) Log_alpha_T_NH3(aq)/H2O(l) + Alpha_15N_NH3(aq)/NO3- Log_alpha_15N_NH3(aq)/NO3- # NH4+ - Alpha_D_NH4+/H2O(l) Log_alpha_D_NH4+/H2O(l) - Alpha_T_NH4+/H2O(l) Log_alpha_T_NH4+/H2O(l) - Alpha_15N_NH4+/NH3(aq) Log_alpha_15N_NH4+/NH3(aq) + Alpha_D_NH4+/H2O(l) Log_alpha_D_NH4+/H2O(l) + Alpha_T_NH4+/H2O(l) Log_alpha_T_NH4+/H2O(l) + Alpha_15N_NH4+/NH3(aq) Log_alpha_15N_NH4+/NH3(aq) # H2O(g) - Alpha_D_H2O(g)/H2O(l) Log_alpha_D_H2O(g)/H2O(l) - Alpha_T_H2O(g)/H2O(l) Log_alpha_T_H2O(g)/H2O(l) - Alpha_18O_H2O(g)/H2O(l) Log_alpha_18O_H2O(g)/H2O(l) + Alpha_D_H2O(g)/H2O(l) Log_alpha_D_H2O(g)/H2O(l) + Alpha_T_H2O(g)/H2O(l) Log_alpha_T_H2O(g)/H2O(l) + Alpha_18O_H2O(g)/H2O(l) Log_alpha_18O_H2O(g)/H2O(l) # O2(g) - Alpha_18O_O2(g)/H2O(l) Log_alpha_18O_O2(g)/H2O(l) #? + Alpha_18O_O2(g)/H2O(l) Log_alpha_18O_O2(g)/H2O(l) #? # H2(g) - Alpha_D_H2(g)/H2O(l) Log_alpha_D_H2(g)/H2O(l) #? - Alpha_T_H2(g)/H2O(l) Log_alpha_T_H2(g)/H2O(l) #? + Alpha_D_H2(g)/H2O(l) Log_alpha_D_H2(g)/H2O(l) #? + Alpha_T_H2(g)/H2O(l) Log_alpha_T_H2(g)/H2O(l) #? # CO2(g) - Alpha_18O_CO2(g)/H2O(l) Log_alpha_18O_CO2(g)/H2O(l) - Alpha_13C_CO2(g)/CO2(aq) Log_alpha_13C_CO2(g)/CO2(aq) - Alpha_14C_CO2(g)/CO2(aq) Log_alpha_14C_CO2(g)/CO2(aq) + Alpha_18O_CO2(g)/H2O(l) Log_alpha_18O_CO2(g)/H2O(l) + Alpha_13C_CO2(g)/CO2(aq) Log_alpha_13C_CO2(g)/CO2(aq) + Alpha_14C_CO2(g)/CO2(aq) Log_alpha_14C_CO2(g)/CO2(aq) # Calcite - Alpha_18O_Calcite/H2O(l) Log_alpha_18O_Calcite/H2O(l) - Alpha_13C_Calcite/CO2(aq) Log_alpha_13C_Calcite/CO2(aq) - Alpha_13C_Calcite/CO2(g) Log_alpha_13C_Calcite/CO2(g) - Alpha_14C_Calcite/CO2(aq) Log_alpha_14C_Calcite/CO2(aq) - Alpha_14C_Calcite/CO2(g) Log_alpha_14C_Calcite/CO2(g) + Alpha_18O_Calcite/H2O(l) Log_alpha_18O_Calcite/H2O(l) + Alpha_13C_Calcite/CO2(aq) Log_alpha_13C_Calcite/CO2(aq) + Alpha_13C_Calcite/CO2(g) Log_alpha_13C_Calcite/CO2(g) + Alpha_14C_Calcite/CO2(aq) Log_alpha_14C_Calcite/CO2(aq) + Alpha_14C_Calcite/CO2(g) Log_alpha_14C_Calcite/CO2(g) # Pyrite - Alpha_34S_Pyrite/HS- Log_alpha_34S_Pyrite/HS- + Alpha_34S_Pyrite/HS- Log_alpha_34S_Pyrite/HS- # CH4(g) - Alpha_D_CH4(g)/H2O(l) Log_alpha_D_CH4(g)/H2O(l) - Alpha_T_CH4(g)/H2O(l) Log_alpha_T_CH4(g)/H2O(l) - Alpha_13C_CH4(g)/CO2(aq) Log_alpha_13C_CH4(g)/CO2(aq) #? - Alpha_14C_CH4(g)/CO2(aq) Log_alpha_14C_CH4(g)/CO2(aq) #? + Alpha_D_CH4(g)/H2O(l) Log_alpha_D_CH4(g)/H2O(l) + Alpha_T_CH4(g)/H2O(l) Log_alpha_T_CH4(g)/H2O(l) + Alpha_13C_CH4(g)/CO2(aq) Log_alpha_13C_CH4(g)/CO2(aq) #? + Alpha_14C_CH4(g)/CO2(aq) Log_alpha_14C_CH4(g)/CO2(aq) #? # H2S(g) - Alpha_D_H2S(g)/H2S(aq) Log_alpha_D_H2S(g)/H2S(aq) - Alpha_T_H2S(g)/H2S(aq) Log_alpha_T_H2S(g)/H2S(aq) - Alpha_34S_H2S(g)/H2S(aq) Log_alpha_34S_H2S(g)/H2S(aq) + Alpha_D_H2S(g)/H2S(aq) Log_alpha_D_H2S(g)/H2S(aq) + Alpha_T_H2S(g)/H2S(aq) Log_alpha_T_H2S(g)/H2S(aq) + Alpha_34S_H2S(g)/H2S(aq) Log_alpha_34S_H2S(g)/H2S(aq) # Gypsum - Alpha_34S_Gypsum/SO4-2 Log_alpha_34S_Gypsum/SO4-2 + Alpha_34S_Gypsum/SO4-2 Log_alpha_34S_Gypsum/SO4-2 # Anhydrite - Alpha_34S_Anhydrite/SO4-2 Log_alpha_34S_Anhydrite/SO4-2 + Alpha_34S_Anhydrite/SO4-2 Log_alpha_34S_Anhydrite/SO4-2 # N2(g) - Alpha_15N_N2(g)/N2(aq) Log_alpha_15N_N2(g)/N2(aq) + Alpha_15N_N2(g)/N2(aq) Log_alpha_15N_N2(g)/N2(aq) # NH3(g) - Alpha_D_NH3(g)/H2O(l) Log_alpha_D_NH3(g)/H2O(l) + Alpha_D_NH3(g)/H2O(l) Log_alpha_D_NH3(g)/H2O(l) #Alpha_T_NH3(g)/H2O(l) Log_alpha_T_NH3(g)/H2O(l) - Alpha_15N_NH3(g)/NH3(aq) Log_alpha_15N_NH3(g)/NH3(aq) + Alpha_15N_NH3(g)/NH3(aq) Log_alpha_15N_NH3(g)/NH3(aq) NAMED_EXPRESSIONS # # OH- fractionation factors # -Log_alpha_D_OH-/H2O(l) # 1000ln(alpha(25C)) = -1435 +Log_alpha_D_OH-/H2O(l) # 1000ln(alpha(25C)) = -1435 # 13.5 C - -ln_alpha1000 -1435.0 + -ln_alpha1000 -1435 -Log_alpha_T_OH-/H2O(l) # 1000ln(alpha(25C)) = -2870 +Log_alpha_T_OH-/H2O(l) # 1000ln(alpha(25C)) = -2870 # 13.5 C - -ln_alpha1000 -2870.0 + -ln_alpha1000 -2870 -Log_alpha_18O_OH-/H2O(l) # 1000ln(alpha(25C)) = -37.8 +Log_alpha_18O_OH-/H2O(l) # 1000ln(alpha(25C)) = -37.8 # 25 C - -ln_alpha1000 -37.777 + -ln_alpha1000 -37.777 # # H3O- fractionation factors # -Log_alpha_D_H3O+/H2O(l) # 1000ln(alpha(25C)) = 40.8 +Log_alpha_D_H3O+/H2O(l) # 1000ln(alpha(25C)) = 40.8 # 13.5 C - -ln_alpha1000 40.82 - -Log_alpha_T_H3O+/H2O(l) # 1000ln(alpha(25C)) = 81.6 + -ln_alpha1000 40.82 + +Log_alpha_T_H3O+/H2O(l) # 1000ln(alpha(25C)) = 81.6 # 13.5 C - -ln_alpha1000 81.64 - -Log_alpha_18O_H3O+/H2O(l) # 1000ln(alpha(25C)) = 22.9 + -ln_alpha1000 81.64 + +Log_alpha_18O_H3O+/H2O(l) # 1000ln(alpha(25C)) = 22.9 # 25 C - -ln_alpha1000 22.86 + -ln_alpha1000 22.86 # # O2(aq) fractionation factors # Log_alpha_18O_O2(aq)/H2O(l) - -ln_alpha1000 0.0 + -ln_alpha1000 0 # # H2(aq) fractionation factors # Log_alpha_D_H2(aq)/H2O(l) - -ln_alpha1000 0 + -ln_alpha1000 0 Log_alpha_T_H2(aq)/H2O(l) - -ln_alpha1000 0 + -ln_alpha1000 0 # # CO2(aq) fractionation factors # -Log_alpha_18O_CO2(aq)/H2O(l) # 1000ln(alpha(25C)) = 41.2 +Log_alpha_18O_CO2(aq)/H2O(l) # 1000ln(alpha(25C)) = 41.2 # 0-100 C - -ln_alpha1000 -21.9285 0.0 19.43596e3 0.0 -0.181115e6 + -ln_alpha1000 -21.9285 0 19.43596e3 0 -0.181115e6 -Log_alpha_13C_CO2(aq)/CO2(g) # 1000ln(alpha(25C)) -0.84 +Log_alpha_13C_CO2(aq)/CO2(g) # 1000ln(alpha(25C)) -0.84 # Deines and others (1974) - -ln_alpha1000 -0.91 0.0 0.0 0.0 .0063e6 + -ln_alpha1000 -0.91 0 0 0 .0063e6 -Log_alpha_14C_CO2(aq)/CO2(g) # 1000ln(alpha(25C)) -0.84 - -add_logk Log_alpha_13C_CO2(aq)/CO2(g) 2 +Log_alpha_14C_CO2(aq)/CO2(g) # 1000ln(alpha(25C)) -0.84 + -add_logk Log_alpha_13C_CO2(aq)/CO2(g) 2 # # HCO3- fractionation factors # -Log_alpha_18O_HCO3-/H2O(l) - -ln_alpha1000 0.0 #? +Log_alpha_18O_HCO3-/H2O(l) + -ln_alpha1000 0 #? Log_alpha_D_HCO3-/H2O(l) - -ln_alpha1000 0.0 + -ln_alpha1000 0 -Log_alpha_T_HCO3-/H2O(l) - -ln_alpha1000 0.0 +Log_alpha_T_HCO3-/H2O(l) + -ln_alpha1000 0 -Log_alpha_13C_HCO3-/CO2(g) # 1000ln(alpha(25C)) = 7.82 +Log_alpha_13C_HCO3-/CO2(g) # 1000ln(alpha(25C)) = 7.82 # Deines and others (1974) - -ln_alpha1000 -4.54 0.0 0.0 0.0 1.099e6 + -ln_alpha1000 -4.54 0 0 0 1.099e6 -Log_alpha_13C_HCO3-/CO2(aq) # 1000ln(alpha(25C)) = 8.7 +Log_alpha_13C_HCO3-/CO2(aq) # 1000ln(alpha(25C)) = 8.7 # 0-100 C # -ln_alpha1000 -3.63 0.0 0.0 0.0 1.0927e6 - -add_logk Log_alpha_13C_HCO3-/CO2(g) 1 - -add_logk Log_alpha_13C_CO2(aq)/CO2(g) -1 + -add_logk Log_alpha_13C_HCO3-/CO2(g) 1 + -add_logk Log_alpha_13C_CO2(aq)/CO2(g) -1 -Log_alpha_14C_HCO3-/CO2(g) # 1000ln(alpha(25C)) = 7.82 +Log_alpha_14C_HCO3-/CO2(g) # 1000ln(alpha(25C)) = 7.82 # Deines and others (1974) - -add_logk Log_alpha_13C_HCO3-/CO2(g) 2 + -add_logk Log_alpha_13C_HCO3-/CO2(g) 2 -Log_alpha_14C_HCO3-/CO2(aq) # 1000ln(alpha(25C)) = 17.3 +Log_alpha_14C_HCO3-/CO2(aq) # 1000ln(alpha(25C)) = 17.3 # 0-100 C # -ln_alpha1000 -7.26 0.0 0.0 0.0 2.1854e6 - -add_logk Log_alpha_14C_HCO3-/CO2(g) 1 - -add_logk Log_alpha_14C_CO2(aq)/CO2(g) -1 + -add_logk Log_alpha_14C_HCO3-/CO2(g) 1 + -add_logk Log_alpha_14C_CO2(aq)/CO2(g) -1 # # CO3-2 fractionation factors # Log_alpha_18O_CO3-2/H2O(l) - -ln_alpha1000 0.0 - -Log_alpha_13C_CO3-2/CO2(g) # 1000ln(alpha(25C)) + -ln_alpha1000 0 + +Log_alpha_13C_CO3-2/CO2(g) # 1000ln(alpha(25C)) # Deines and others (1974) - -ln_alpha1000 -3.4 0.0 0.0 0.0 0.870e6 + -ln_alpha1000 -3.4 0 0 0 0.87e6 -Log_alpha_13C_CO3-2/CO2(aq) # 1000ln(alpha(25C)) +Log_alpha_13C_CO3-2/CO2(aq) # 1000ln(alpha(25C)) # 0-100 C # -ln_alpha1000 -2.49 0.0 0.0 0.0 0.8637e6 - -add_logk Log_alpha_13C_CO3-2/CO2(g) 1 - -add_logk Log_alpha_13C_CO2(aq)/CO2(g) -1 + -add_logk Log_alpha_13C_CO3-2/CO2(g) 1 + -add_logk Log_alpha_13C_CO2(aq)/CO2(g) -1 -Log_alpha_14C_CO3-2/CO2(g) # 1000ln(alpha(25C)) +Log_alpha_14C_CO3-2/CO2(g) # 1000ln(alpha(25C)) # Deines and others (1974) - -add_logk Log_alpha_13C_CO3-2/CO2(g) 2 + -add_logk Log_alpha_13C_CO3-2/CO2(g) 2 -Log_alpha_14C_CO3-2/CO2(aq) # 1000ln(alpha(25C)) - # +Log_alpha_14C_CO3-2/CO2(aq) # 1000ln(alpha(25C)) + # # -ln_alpha1000 -2.49 0.0 0.0 0.0 0.8637e6 - -add_logk Log_alpha_14C_CO3-2/CO2(g) 1 - -add_logk Log_alpha_14C_CO2(aq)/CO2(g) -1 + -add_logk Log_alpha_14C_CO3-2/CO2(g) 1 + -add_logk Log_alpha_14C_CO2(aq)/CO2(g) -1 # # CH4(aq) fractionation factors # Log_alpha_D_CH4(aq)/H2O(l) - -ln_alpha1000 0 + -ln_alpha1000 0 Log_alpha_T_CH4(aq)/H2O(l) - -ln_alpha1000 0 + -ln_alpha1000 0 Log_alpha_13C_CH4(aq)/CO2(aq) - -ln_alpha1000 0 + -ln_alpha1000 0 Log_alpha_14C_CH4(aq)/CO2(aq) - -ln_alpha1000 0 + -ln_alpha1000 0 # -# HSO4- fractionation factors +# HSO4- fractionation factors # Log_alpha_D_HSO4-/H2O(l) - -ln_alpha1000 0 + -ln_alpha1000 0 Log_alpha_T_HSO4-/H2O(l) - -ln_alpha1000 0 - + -ln_alpha1000 0 + Log_alpha_34S_HSO4-/SO4-2 - -ln_alpha1000 0.0 + -ln_alpha1000 0 # # S-2 fractionation factors # Log_alpha_34S_S-2/HS- - -ln_alpha1000 0.0 + -ln_alpha1000 0 # # HS- fractionation factors # Log_alpha_D_HS-/H2O(l) - -ln_alpha1000 0 + -ln_alpha1000 0 Log_alpha_T_HS-/H2O(l) - -ln_alpha1000 0 - + -ln_alpha1000 0 + Log_alpha_34S_HS-/SO4-2 - -ln_alpha1000 0.0 + -ln_alpha1000 0 # # H2S fractionation factors # Log_alpha_D_H2S(aq)/H2O(l) - -ln_alpha1000 0 + -ln_alpha1000 0 Log_alpha_T_H2S(aq)/H2O(l) - -ln_alpha1000 0 - + -ln_alpha1000 0 + Log_alpha_34S_H2S(aq)/HS- - -ln_alpha1000 0.0 + -ln_alpha1000 0 # # NO2- fractionation factors # -Log_alpha_15N_NO2-/NO3- - -ln_alpha1000 0.0 +Log_alpha_15N_NO2-/NO3- + -ln_alpha1000 0 # # N2(aq) fractionation factors -# +# Log_alpha_15N_N2(aq)/NO3- - -ln_alpha1000 0.0 + -ln_alpha1000 0 # # NH3(aq) fractionation factors -# +# Log_alpha_D_NH3(aq)/H2O(l) - -ln_alpha1000 0 + -ln_alpha1000 0 Log_alpha_T_NH3(aq)/H2O(l) - -ln_alpha1000 0 + -ln_alpha1000 0 Log_alpha_15N_NH3(aq)/NO3- - -ln_alpha1000 0 + -ln_alpha1000 0 # # NH4+ fractionation factors -# +# Log_alpha_D_NH4+/H2O(l) - -ln_alpha1000 0 + -ln_alpha1000 0 Log_alpha_T_NH4+/H2O(l) - -ln_alpha1000 0 - + -ln_alpha1000 0 + Log_alpha_15N_NH4+/NH3(aq) - -ln_alpha1000 0 + -ln_alpha1000 0 # # H2O(g) fractionation factors # -Log_alpha_D_H2O(g)/H2O(l) # 1000ln(alpha(25C)) = -76.4 +Log_alpha_D_H2O(g)/H2O(l) # 1000ln(alpha(25C)) = -76.4 # 0-100 C - -ln_alpha1000 -52.612 0.0 76.248e3 0.0 -24.844e6 + -ln_alpha1000 -52.612 0 76.248e3 0 -24.844e6 -Log_alpha_T_H2O(g)/H2O(l) # 1000ln(alpha(25C)) = -152.7 +Log_alpha_T_H2O(g)/H2O(l) # 1000ln(alpha(25C)) = -152.7 # 0-100 C - -ln_alpha1000 -105.224 0.0 152.496e3 0.0 -49.688e6 + -ln_alpha1000 -105.224 0 152.496e3 0 -49.688e6 -Log_alpha_18O_H2O(g)/H2O(l) # 1000ln(alpha(25C)) = -9.3 +Log_alpha_18O_H2O(g)/H2O(l) # 1000ln(alpha(25C)) = -9.3 # 0-100 C - -ln_alpha1000 2.0667 0.0 0.4156e3 0.0 -1.137e6 + -ln_alpha1000 2.0667 0 0.4156e3 0 -1.137e6 # # O2(g) fractionaton factors # -Log_alpha_18O_O2(g)/H2O(l) - -ln_alpha1000 0.0 +Log_alpha_18O_O2(g)/H2O(l) + -ln_alpha1000 0 # # H2(g) fractionaton factors # Log_alpha_D_H2(g)/H2O(l) - -ln_alpha1000 0 + -ln_alpha1000 0 Log_alpha_T_H2(g)/H2O(l) - -ln_alpha1000 0 + -ln_alpha1000 0 # # CO2(g) fractionaton factors -# -Log_alpha_18O_CO2(g)/H2O(l) # 1000ln(alpha(25C)) = 40.151 +# +Log_alpha_18O_CO2(g)/H2O(l) # 1000ln(alpha(25C)) = 40.151 # 0-100 C - -ln_alpha1000 -19.97 0.0 17.9942e3 0.0 -0.0206e6 + -ln_alpha1000 -19.97 0 17.9942e3 0 -0.0206e6 # Battinga, written commun. 1973, cited in Friedman and O'Neill -Log_alpha_13C_CO2(g)/CO2(aq) # 1000ln(alpha(25C)) = 0.84 +Log_alpha_13C_CO2(g)/CO2(aq) # 1000ln(alpha(25C)) = 0.84 # 0-100 C - -ln_alpha1000 0.91 0.0 0.0 0.0 -0.0063e6 + -ln_alpha1000 0.91 0 0 0 -0.0063e6 -Log_alpha_14C_CO2(g)/CO2(aq) # 1000ln(alpha(25C)) = 1.7 +Log_alpha_14C_CO2(g)/CO2(aq) # 1000ln(alpha(25C)) = 1.7 # 0-100 C - -ln_alpha1000 1.82 0.0 0.0 0.0 -0.0126e6 + -ln_alpha1000 1.82 0 0 0 -0.0126e6 # # CO2-Calcite fractionation factors # #Log_alpha_18O_CO2(aq)/Calcite # 1000ln(alpha(25C)) = 13.6 # # 0-100 C # -ln_alpha1000 -4.7383 0.0 12.05276e3 0.0 -1.963915e6 -Log_alpha_18O_Calcite/H2O(l) # 1000ln(alpha(25C)) = 28.38 +Log_alpha_18O_Calcite/H2O(l) # 1000ln(alpha(25C)) = 28.38 # O'Neil, Clayton and Mayeda (1969) - -ln_alpha1000 -2.89 0 0 0 2.78e6 - -Log_alpha_13C_Calcite/CO2(g) # 1000ln(alpha(25C)) + -ln_alpha1000 -2.89 0 0 0 2.78e6 + +Log_alpha_13C_Calcite/CO2(g) # 1000ln(alpha(25C)) # Deines and others (1974) - -ln_alpha1000 -3.63 0.0 0.0 0.0 1.194e6 + -ln_alpha1000 -3.63 0 0 0 1.194e6 -Log_alpha_13C_Calcite/CO2(aq) # 1000ln(alpha(25C)) +Log_alpha_13C_Calcite/CO2(aq) # 1000ln(alpha(25C)) # Deines and others (1974) - -add_logk Log_alpha_13C_Calcite/CO2(g) 1 - -add_logk Log_alpha_13C_CO2(aq)/CO2(g) -1 + -add_logk Log_alpha_13C_Calcite/CO2(g) 1 + -add_logk Log_alpha_13C_CO2(aq)/CO2(g) -1 -Log_alpha_14C_Calcite/CO2(g) # 1000ln(alpha(25C)) - -add_logk Log_alpha_13C_Calcite/CO2(g) 2 +Log_alpha_14C_Calcite/CO2(g) # 1000ln(alpha(25C)) + -add_logk Log_alpha_13C_Calcite/CO2(g) 2 -Log_alpha_14C_Calcite/CO2(aq) # 1000ln(alpha(25C)) +Log_alpha_14C_Calcite/CO2(aq) # 1000ln(alpha(25C)) # Deines and others (1974) - -add_logk Log_alpha_14C_Calcite/CO2(g) 1 - -add_logk Log_alpha_14C_CO2(aq)/CO2(g) -1 + -add_logk Log_alpha_14C_Calcite/CO2(g) 1 + -add_logk Log_alpha_14C_CO2(aq)/CO2(g) -1 # # Pyrite fractionation factors -# +# Log_alpha_34S_Pyrite/HS- - -ln_alpha1000 0 + -ln_alpha1000 0 # # CH4(g) fractionation factors -# +# Log_alpha_D_CH4(g)/H2O(l) #? - -ln_alpha1000 0.0 + -ln_alpha1000 0 Log_alpha_T_CH4(g)/H2O(l) #? - -ln_alpha1000 0.0 - + -ln_alpha1000 0 + Log_alpha_13C_CH4(g)/CO2(aq) #? - -ln_alpha1000 0.0 - + -ln_alpha1000 0 + Log_alpha_14C_CH4(g)/CO2(aq) #? - -ln_alpha1000 0.0 + -ln_alpha1000 0 # # H2S(g) fractionation factors # Log_alpha_D_H2S(g)/H2S(aq) - -ln_alpha1000 0 + -ln_alpha1000 0 Log_alpha_T_H2S(g)/H2S(aq) - -ln_alpha1000 0 + -ln_alpha1000 0 Log_alpha_34S_H2S(g)/H2S(aq) - -ln_alpha1000 0 + -ln_alpha1000 0 # # Gypsum fractionation factors # Log_alpha_34S_Gypsum/SO4-2 - -ln_alpha1000 0 + -ln_alpha1000 0 # # Anhydrite fractionation factors # Log_alpha_34S_Anhydrite/SO4-2 - -ln_alpha1000 0 + -ln_alpha1000 0 # # N2(g) fractionation factors # Log_alpha_15N_N2(g)/N2(aq) - -ln_alpha1000 0 + -ln_alpha1000 0 # # NH3(g) fractionation factors # Log_alpha_D_NH3(g)/H2O(l) #? - -ln_alpha1000 0 + -ln_alpha1000 0 Log_alpha_T_NH3(g)/H2O(l) #? - -ln_alpha1000 0 + -ln_alpha1000 0 Log_alpha_15N_NH3(g)/NH3(aq) - -ln_alpha1000 0 + -ln_alpha1000 0 ############################################################################################### CALCULATE_VALUES @@ -1502,7 +1506,7 @@ R(D) 100 save ratio -end -R(T) ?? +R(T) ?? -start 10 ratio = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 100 @@ -2056,7 +2060,7 @@ R(D)_NH3(aq) -start 10 ratio = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 100 -30 total_D = sum_species("{[15N],N}{H,D,T}3","D") +30 total_D = sum_species("{[15N],N}{H,D,T}3","D") 40 total_H = sum_species("{[15N],N}{H,D,T}3","H") 50 if (total_H <= 0) THEN GOTO 100 60 ratio = total_D/total_H @@ -2067,7 +2071,7 @@ R(T)_NH3(aq) -start 10 ratio = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 100 -30 total_T = sum_species("{[15N],N}{H,D,T}3","T") +30 total_T = sum_species("{[15N],N}{H,D,T}3","T") 40 total_H = sum_species("{[15N],N}{H,D,T}3","H") 50 if (total_H <= 0) THEN GOTO 100 60 ratio = total_T/total_H @@ -2078,7 +2082,7 @@ R(15N)_NH3(aq) -start 10 ratio = -9999.999 20 if (TOT("[15N]") <= 0) THEN GOTO 100 -30 total_15N = sum_species("[15N]{H,D,T}3","[15N]") +30 total_15N = sum_species("[15N]{H,D,T}3","[15N]") 40 total_N = sum_species("N{H,D,T}3","N") 50 if (total_N <= 0) THEN GOTO 100 60 ratio = total_15N/total_N @@ -2091,7 +2095,7 @@ R(D)_NH4+ -start 10 ratio = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 100 -30 total_D = sum_species("*{[15N],N}{H,D,T}4*","D") +30 total_D = sum_species("*{[15N],N}{H,D,T}4*","D") 40 total_H = sum_species("*{[15N],N}{H,D,T}4*","H") 50 if (total_H <= 0) THEN GOTO 100 60 ratio = total_D/total_H @@ -2102,7 +2106,7 @@ R(T)_NH4+ -start 10 ratio = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 100 -30 total_T = sum_species("*{[15N],N}{H,D,T}4*","T") +30 total_T = sum_species("*{[15N],N}{H,D,T}4*","T") 40 total_H = sum_species("*{[15N],N}{H,D,T}4*","H") 50 if (total_H <= 0) THEN GOTO 100 60 ratio = total_T/total_H @@ -2113,7 +2117,7 @@ R(15N)_NH4+ -start 10 ratio = -9999.999 20 if (TOT("[15N]") <= 0) THEN GOTO 100 -30 total_15N = sum_species("*[15N]{H,D,T}4*","[15N]") +30 total_15N = sum_species("*[15N]{H,D,T}4*","[15N]") 40 total_N = sum_species("*N{H,D,T}4*","N") 50 if (total_N <= 0) THEN GOTO 100 60 ratio = total_15N/total_N @@ -3725,209 +3729,209 @@ SOLUTION_SPECIES ############################################################################################### D2O = D2O -activity_water - log_k 0 + log_k 0 HTO = HTO -activity_water - log_k 0 + log_k 0 H2[18O] = H2[18O] -activity_water - log_k 0 + log_k 0 CO2 = CO2 - log_k 0 + log_k 0 [13C]O2 = [13C]O2 - log_k 0 + log_k 0 [14C]O2 = [14C]O2 - log_k 0 + log_k 0 [34S]O4-2 = [34S]O4-2 - log_k 0.0 - -gamma 5.0000 -0.0400 + log_k 0 + -gamma 5 -0.04 -[15N]O3- = [15N]O3- - log_k 0.0 - -gamma 3.0000 0.0000 +[15N]O3- = [15N]O3- + log_k 0 + -gamma 3 0 # -# H2O reactions +# H2O reactions # last update July 31, 2006 # checked September 19, 2006 # -0.5H2O + 0.5D2O = HDO - log_k 0.301029995663 # log10(2) +0.5 H2O + 0.5 D2O = HDO + log_k 0.301029995663 # log10(2) -activity_water HDO + HTO = DTO + H2O - -mole_balance DTO - log_k -0.301029995663 # log10(1/2) + -mole_balance DTO + log_k -0.301029995663 # log10(1/2) -activity_water -2HTO = T2O + H2O - -mole_balance T2O - log_k -0.6020599913279623960 # log10(1/4) +2 HTO = T2O + H2O + -mole_balance T2O + log_k -0.602059991327962396 # log10(1/4) -activity_water H2[18O] + HDO = HD[18O] + H2O - -mole_balance HD[18O] - log_k 0.0 + -mole_balance HD[18O] + log_k 0 -activity_water H2[18O] + HTO = HT[18O] + H2O - -mole_balance HT[18O] - log_k 0.0 + -mole_balance HT[18O] + log_k 0 -activity_water - -DTO + H2[18O] = DT[18O] + H2O - -mole_balance DT[18O] - log_k 0.0 + +DTO + H2[18O] = DT[18O] + H2O + -mole_balance DT[18O] + log_k 0 -activity_water - + D2O + H2[18O] = D2[18O] + H2O - -mole_balance D2[18O] - log_k 0.0 + -mole_balance D2[18O] + log_k 0 -activity_water - + H2[18O] + T2O = T2[18O] + H2O - -mole_balance T2[18O] - log_k 0.0 + -mole_balance T2[18O] + log_k 0 -activity_water # -# OH- reactions +# OH- reactions # last update July 31, 2006 # checked September 19, 2006 # OH- + HDO = OD- + H2O - -mole_balance OD - log_k -0.301029995663 # -log10(2) - -add_logk Log_alpha_D_OH-/H2O(l) 1.0 - -gamma 3.5000 0.0000 - + -mole_balance OD + log_k -0.301029995663 # -log10(2) + -add_logk Log_alpha_D_OH-/H2O(l) 1 + -gamma 3.5 0 + OH- + HTO = OT- + H2O - -mole_balance OT - log_k -0.301029995663 # -log10(2) - -add_logk Log_alpha_T_OH-/H2O(l) 1.0 - -gamma 3.5000 0.0000 - + -mole_balance OT + log_k -0.301029995663 # -log10(2) + -add_logk Log_alpha_T_OH-/H2O(l) 1 + -gamma 3.5 0 + OH- + H2[18O] = [18O]H- + H2O - -mole_balance [18O]H - -add_logk Log_alpha_18O_OH-/H2O(l) 1.0 - -gamma 3.5000 0.0000 - + -mole_balance [18O]H + -add_logk Log_alpha_18O_OH-/H2O(l) 1 + -gamma 3.5 0 + [18O]H- + OD- = [18O]D- + OH- - -mole_balance [18O]D - log_k 0.0 - -gamma 3.5000 0.0000 - + -mole_balance [18O]D + log_k 0 + -gamma 3.5 0 + [18O]H- + OT- = [18O]T- + OH- - -mole_balance [18O]T - log_k 0.0 - -gamma 3.5000 0.0000 + -mole_balance [18O]T + log_k 0 + -gamma 3.5 0 # # H3O+ reactions # last update July 31, 2006 # checked September 19, 2006 # H3O+ + HDO = H2DO+ + H2O - -mole_balance H2DO - log_k 0.176091259055 # log10(1.5) - -add_logk Log_alpha_D_H3O+/H2O(l) 1.0 - -gamma 9.0000 0.0000 - -2H2DO+ = HD2O+ + H3O+ - -mole_balance HD2O - log_k -0.477121254719662 # log10(1/3) - -gamma 9.0000 0.0000 - + -mole_balance H2DO + log_k 0.176091259055 # log10(1.5) + -add_logk Log_alpha_D_H3O+/H2O(l) 1 + -gamma 9 0 + +2 H2DO+ = HD2O+ + H3O+ + -mole_balance HD2O + log_k -0.477121254719662 # log10(1/3) + -gamma 9 0 + H2DO+ + HD2O+ = D3O+ + H3O+ - -mole_balance D3O - log_k -0.954242509439324 # log10(1/9) - -gamma 9.0000 0.0000 - + -mole_balance D3O + log_k -0.954242509439324 # log10(1/9) + -gamma 9 0 + H3O+ + HTO = H2TO+ + H2O - -mole_balance H2TO - log_k 0.176091259055 # log10(1.5) - -add_logk Log_alpha_T_H3O+/H2O(l) 1.0 - -gamma 9.0000 0.0000 - -2H2TO+ = HT2O+ + H3O+ - -mole_balance HT2O - log_k -0.477121254719662 # log10(1/3) - -gamma 9.0000 0.0000 - + -mole_balance H2TO + log_k 0.176091259055 # log10(1.5) + -add_logk Log_alpha_T_H3O+/H2O(l) 1 + -gamma 9 0 + +2 H2TO+ = HT2O+ + H3O+ + -mole_balance HT2O + log_k -0.477121254719662 # log10(1/3) + -gamma 9 0 + H2TO+ + HT2O+ = T3O+ + H3O+ - -mole_balance T3O - log_k -0.954242509439324 # log10(1/9) - -gamma 9.0000 0.0000 - + -mole_balance T3O + log_k -0.954242509439324 # log10(1/9) + -gamma 9 0 + H2TO+ + H2DO+ = HDTO+ + H3O+ - -mole_balance HDTO - log_k -0.477121254719662 # log10(1/3) - -gamma 9.0000 0.0000 - + -mole_balance HDTO + log_k -0.477121254719662 # log10(1/3) + -gamma 9 0 + H2TO+ + HD2O+ = D2TO+ + H3O+ - -mole_balance D2TO - log_k -0.477121254719662 # log10(1/3) - -gamma 9.0000 0.0000 - + -mole_balance D2TO + log_k -0.477121254719662 # log10(1/3) + -gamma 9 0 + H2DO+ + HT2O+ = DT2O+ + H3O+ - -mole_balance DT2O - log_k -0.477121254719662 # log10(1/3) - -gamma 9.0000 0.0000 - + -mole_balance DT2O + log_k -0.477121254719662 # log10(1/3) + -gamma 9 0 + H3O+ + H2[18O] = H3[18O]+ + H2O - -mole_balance H3[18O] - -add_logk Log_alpha_18O_H3O+/H2O(l) 1.0 - -gamma 9.0000 0.0000 + -mole_balance H3[18O] + -add_logk Log_alpha_18O_H3O+/H2O(l) 1 + -gamma 9 0 H3[18O]+ + H2DO+ = H2D[18O]+ + H3O+ - -mole_balance H2D[18O] - log_k 0.0 - -gamma 9.0000 0.0000 - + -mole_balance H2D[18O] + log_k 0 + -gamma 9 0 + H3[18O]+ + HD2O+ = HD2[18O]+ + H3O+ - -mole_balance HD2[18O] - log_k 0.0 - -gamma 9.0000 0.0000 - + -mole_balance HD2[18O] + log_k 0 + -gamma 9 0 + H3[18O]+ + D3O+ = D3[18O]+ + H3O+ - -mole_balance D3[18O] - log_k 0.0 - -gamma 9.0000 0.0000 - + -mole_balance D3[18O] + log_k 0 + -gamma 9 0 + H3[18O]+ + H2TO+ = H2T[18O]+ + H3O+ - -mole_balance H2T[18O] - log_k 0.0 - -gamma 9.0000 0.0000 - + -mole_balance H2T[18O] + log_k 0 + -gamma 9 0 + H3[18O]+ + HT2O+ = HT2[18O]+ + H3O+ - -mole_balance HT2[18O] - log_k 0.0 - -gamma 9.0000 0.0000 - + -mole_balance HT2[18O] + log_k 0 + -gamma 9 0 + H3[18O]+ + T3O+ = T3[18O]+ + H3O+ - -mole_balance T3[18O] - log_k 0.0 - -gamma 9.0000 0.0000 - + -mole_balance T3[18O] + log_k 0 + -gamma 9 0 + H3[18O]+ + HDTO+ = HDT[18O]+ + H3O+ - -mole_balance HDT[18O] - log_k 0.0 - -gamma 9.0000 0.0000 - + -mole_balance HDT[18O] + log_k 0 + -gamma 9 0 + H3[18O]+ + D2TO+ = D2T[18O]+ + H3O+ - -mole_balance D2T[18O] - log_k 0.0 - -gamma 9.0000 0.0000 - + -mole_balance D2T[18O] + log_k 0 + -gamma 9 0 + H3[18O]+ + DT2O+ = DT2[18O]+ + H3O+ - -mole_balance DT2[18O] - log_k 0.0 - -gamma 9.0000 0.0000 - + -mole_balance DT2[18O] + log_k 0 + -gamma 9 0 + # # O2 reactions # last update July 31, 2006 @@ -3935,79 +3939,79 @@ H3[18O]+ + DT2O+ = DT2[18O]+ + H3O+ # O2 + H2[18O] = O[18O] + H2O - log_k 0.301029995663 # log10(2) - -add_logk Log_alpha_18O_O2(aq)/H2O(l) 1.0 - -mole_balance O(0)[18O](0) - -2O[18O] = [18O]2 + O2 - log_k -0.602059991327962396 # -log10(4) - -mole_balance [18O](0)2 + log_k 0.301029995663 # log10(2) + -add_logk Log_alpha_18O_O2(aq)/H2O(l) 1 + -mole_balance O(0)[18O](0) + +2 O[18O] = [18O]2 + O2 + log_k -0.602059991327962396 # -log10(4) + -mole_balance [18O](0)2 # # H2 reactions # last update July 31, 2006 # checked September 19, 2006 # H2 + HDO = HD + H2O - -mole_balance H(0)D(0) - -add_logk Log_alpha_D_H2(aq)/H2O(l) 1.0 - -2HD = D2 + H2 - -mole_balance D(0)2 - log_k -0.602059991327962396 # -log10(4) - + -mole_balance H(0)D(0) + -add_logk Log_alpha_D_H2(aq)/H2O(l) 1 + +2 HD = D2 + H2 + -mole_balance D(0)2 + log_k -0.602059991327962396 # -log10(4) + H2 + HTO = HT + H2O - -mole_balance H(0)T(0) - -add_logk Log_alpha_T_H2(aq)/H2O(l) 1.0 - -2HT = T2 + H2 - -mole_balance T(0)2 - log_k -0.602059991327962396 # -log10(4) - + -mole_balance H(0)T(0) + -add_logk Log_alpha_T_H2(aq)/H2O(l) 1 + +2 HT = T2 + H2 + -mole_balance T(0)2 + log_k -0.602059991327962396 # -log10(4) + HT + HD = DT + H2 - -mole_balance D(0)T(0) - log_k -0.301029995663 # -log10(2) + -mole_balance D(0)T(0) + log_k -0.301029995663 # -log10(2) # # CO2 reactions # last update July 31, 2006 # Checked September 19, 2006 # CO2 + H2[18O] = CO[18O] + H2O - log_k 0.301029995663 # log10(2) - -add_logk Log_alpha_18O_CO2(aq)/H2O(l) 1.0 - -2CO[18O] = C[18O]2 + CO2 - log_k -0.6020599913279623960 # log10(1/4) - + log_k 0.301029995663 # log10(2) + -add_logk Log_alpha_18O_CO2(aq)/H2O(l) 1 + +2 CO[18O] = C[18O]2 + CO2 + log_k -0.602059991327962396 # log10(1/4) + [13C]O2 + CO[18O] = [13C]O[18O] + CO2 - log_k 0 - + log_k 0 + [13C]O2 + C[18O]2 = [13C][18O]2 + CO2 - log_k 0 + log_k 0 [14C]O2 + CO[18O] = [14C]O[18O] + CO2 - log_k 0 + log_k 0 [14C]O2 + C[18O]2 = [14C][18O]2 + CO2 - log_k 0 + log_k 0 # # HCO3- reactions # last update July 31, 2006 # Checked September 19, 2006 # HCO3- + H2[18O] = HCO2[18O]- + H2O - -add_logk Log_alpha_18O_HCO3-/H2O(l) 1.0 - + -add_logk Log_alpha_18O_HCO3-/H2O(l) 1 + HCO2[18O]- = HCO[18O]O- -HCO2[18O]- = HC[18O]O2- -2HCO2[18O]- = HCO[18O]2- + HCO3- -HCO[18O]2- = HC[18O]O[18O]- -HCO[18O]2- = HC[18O]2O- -3HCO2[18O]- = HC[18O]3- + 2HCO3- +HCO2[18O]- = HC[18O]O2- +2 HCO2[18O]- = HCO[18O]2- + HCO3- +HCO[18O]2- = HC[18O]O[18O]- +HCO[18O]2- = HC[18O]2O- +3 HCO2[18O]- = HC[18O]3- + 2 HCO3- HDO + HCO3- = DCO3- + H2O - log_k -0.301029995663 # -log10(2) - -add_logk Log_alpha_D_HCO3-/H2O(l) 1.0 - + log_k -0.301029995663 # -log10(2) + -add_logk Log_alpha_D_HCO3-/H2O(l) 1 + DCO3- + HCO2[18O]- = DCO2[18O]- + HCO3- DCO3- + HCO[18O]O- = DCO[18O]O- + HCO3- DCO3- + HC[18O]O2- = DC[18O]O2- + HCO3- @@ -4017,9 +4021,9 @@ DCO3- + HC[18O]2O- = DC[18O]2O- + HCO3- DCO3- + HC[18O]3- = DC[18O]3- + HCO3- HTO + HCO3- = TCO3- + H2O - log_k -0.301029995663 # -log10(2) - -add_logk Log_alpha_T_HCO3-/H2O(l) 1.0 - + log_k -0.301029995663 # -log10(2) + -add_logk Log_alpha_T_HCO3-/H2O(l) 1 + TCO3- + HCO2[18O]- = TCO2[18O]- + HCO3- TCO3- + HCO[18O]O- = TCO[18O]O- + HCO3- TCO3- + HC[18O]O2- = TC[18O]O2- + HCO3- @@ -4029,8 +4033,8 @@ TCO3- + HC[18O]2O- = TC[18O]2O- + HCO3- TCO3- + HC[18O]3- = TC[18O]3- + HCO3- HCO3- + [13C]O2 = H[13C]O3- + CO2 - -add_logk Log_alpha_13C_HCO3-/CO2(aq) 1.0 - + -add_logk Log_alpha_13C_HCO3-/CO2(aq) 1 + H[13C]O3- + HCO2[18O]- = H[13C]O2[18O]- + HCO3- H[13C]O3- + HCO[18O]O- = H[13C]O[18O]O- + HCO3- H[13C]O3- + HC[18O]O2- = H[13C][18O]O2- + HCO3- @@ -4056,8 +4060,8 @@ H[13C]O3- + TC[18O]2O- = T[13C][18O]2O- + HCO3- H[13C]O3- + TC[18O]3- = T[13C][18O]3- + HCO3- HCO3- + [14C]O2 = H[14C]O3- + CO2 - -add_logk Log_alpha_14C_HCO3-/CO2(aq) 1.0 - + -add_logk Log_alpha_14C_HCO3-/CO2(aq) 1 + H[14C]O3- + HCO2[18O]- = H[14C]O2[18O]- + HCO3- H[14C]O3- + HCO[18O]O- = H[14C]O[18O]O- + HCO3- H[14C]O3- + HC[18O]O2- = H[14C][18O]O2- + HCO3- @@ -4087,210 +4091,210 @@ H[14C]O3- + TC[18O]3- = T[14C][18O]3- + HCO3- # Checked September 19, 2006 # CO3-2 + H2[18O] = CO2[18O]-2 + H2O - log_k 0.477121254719 # log10(3) - -add_logk Log_alpha_18O_CO3-2/H2O(l) 1.0 - -2CO2[18O]-2 = CO[18O]2-2 + CO3-2 - log_k -0.477121254719 # -log10(3) - + log_k 0.477121254719 # log10(3) + -add_logk Log_alpha_18O_CO3-2/H2O(l) 1 + +2 CO2[18O]-2 = CO[18O]2-2 + CO3-2 + log_k -0.477121254719 # -log10(3) + CO2[18O]-2 + CO[18O]2-2 = C[18O]3-2 + CO3-2 - log_k -0.954242509439324 # log10(1/9) - + log_k -0.954242509439324 # log10(1/9) + CO3-2 + [13C]O2 = [13C]O3-2 + CO2 - -add_logk Log_alpha_13C_CO3-2/CO2(aq) 1.0 - + -add_logk Log_alpha_13C_CO3-2/CO2(aq) 1 + [13C]O3-2 + CO2[18O]-2 = [13C]O2[18O]-2 + CO3-2 - log_k 0.0 - + log_k 0 + [13C]O3-2 + CO[18O]2-2 = [13C]O[18O]2-2 + CO3-2 - log_k 0.0 - + log_k 0 + [13C]O3-2 + C[18O]3-2 = [13C][18O]3-2 + CO3-2 - log_k 0.0 - + log_k 0 + CO3-2 + [14C]O2 = [14C]O3-2 + CO2 - -add_logk Log_alpha_14C_CO3-2/CO2(aq) 1.0 - + -add_logk Log_alpha_14C_CO3-2/CO2(aq) 1 + [14C]O3-2 + CO2[18O]-2 = [14C]O2[18O]-2 + CO3-2 - log_k 0.0 - + log_k 0 + [14C]O3-2 + CO[18O]2-2 = [14C]O[18O]2-2 + CO3-2 - log_k 0.0 - + log_k 0 + [14C]O3-2 + C[18O]3-2 = [14C][18O]3-2 + CO3-2 - log_k 0.0 + log_k 0 # # CH4 reactions # Updated September 19, 2006 # Checked September 19, 2006 # CH4 + HDO = CH3D + H2O - log_k 0.301029995663981198 # log10(2) - -add_logk Log_alpha_D_CH4(aq)/H2O(l) 1.0 - -2CH3D = CH2D2 + CH4 - log_k -0.42596873227228 # log10(3/8) - -3CH3D = CHD3 + 2CH4 - log_k -1.20411998265 # log10(1/16) - -4CH3D = CD4 + 3CH4 - log_k -2.408239965311 # log10(1/256) + log_k 0.301029995663981198 # log10(2) + -add_logk Log_alpha_D_CH4(aq)/H2O(l) 1 + +2 CH3D = CH2D2 + CH4 + log_k -0.42596873227228 # log10(3/8) + +3 CH3D = CHD3 + 2 CH4 + log_k -1.20411998265 # log10(1/16) + +4 CH3D = CD4 + 3 CH4 + log_k -2.408239965311 # log10(1/256) CH4 + HTO = CH3T + H2O - log_k 0.301029995663981198 # log10(2) - -add_logk Log_alpha_T_CH4(aq)/H2O(l) 1.0 + log_k 0.301029995663981198 # log10(2) + -add_logk Log_alpha_T_CH4(aq)/H2O(l) 1 -2CH3T = CH2T2 + CH4 - log_k -0.42596873227228 # log10(3/8) +2 CH3T = CH2T2 + CH4 + log_k -0.42596873227228 # log10(3/8) -3CH3T = CHT3 + 2CH4 - log_k -1.20411998265 # log10(1/16) +3 CH3T = CHT3 + 2 CH4 + log_k -1.20411998265 # log10(1/16) -4CH3T = CT4 + 3CH4 - log_k -2.408239965311 # log10(1/256) +4 CH3T = CT4 + 3 CH4 + log_k -2.408239965311 # log10(1/256) # # Added mixed DT C methane species May 19, 2006 # CH3T + CHD3 = CD3T + CH4 - log_k -0.602059991327962396 # -log10(4) + log_k -0.602059991327962396 # -log10(4) CH2T2 + CH2D2 = CD2T2 + CH4 - log_k -0.7781512503836 # -log10(6) + log_k -0.7781512503836 # -log10(6) CHT3 + CH3D = CDT3 + CH4 - log_k -0.602059991327962396 # -log10(4) + log_k -0.602059991327962396 # -log10(4) [13C]O2 + CH4 = [13C]H4 + CO2 - -add_logk Log_alpha_13C_CH4(aq)/CO2(aq) 1.0 + -add_logk Log_alpha_13C_CH4(aq)/CO2(aq) 1 -[13C]H4 + CH3D = [13C]H3D + CH4 +[13C]H4 + CH3D = [13C]H3D + CH4 [13C]H4 + CH2D2 = [13C]H2D2 + CH4 -[13C]H4 + CHD3 = [13C]HD3 + CH4 -[13C]H4 + CD4 = [13C]D4 + CH4 -[13C]H4 + CH3T = [13C]H3T + CH4 +[13C]H4 + CHD3 = [13C]HD3 + CH4 +[13C]H4 + CD4 = [13C]D4 + CH4 +[13C]H4 + CH3T = [13C]H3T + CH4 [13C]H4 + CH2T2 = [13C]H2T2 + CH4 -[13C]H4 + CHT3 = [13C]HT3 + CH4 -[13C]H4 + CT4 = [13C]T4 + CH4 -[13C]H4 + CD3T = [13C]D3T + CH4 +[13C]H4 + CHT3 = [13C]HT3 + CH4 +[13C]H4 + CT4 = [13C]T4 + CH4 +[13C]H4 + CD3T = [13C]D3T + CH4 [13C]H4 + CD2T2 = [13C]D2T2 + CH4 -[13C]H4 + CDT3 = [13C]DT3 + CH4 +[13C]H4 + CDT3 = [13C]DT3 + CH4 [14C]O2 + CH4 = [14C]H4 + CO2 - -add_logk Log_alpha_14C_CH4(aq)/CO2(aq) 1.0 + -add_logk Log_alpha_14C_CH4(aq)/CO2(aq) 1 # # Added mixed DT 14C methane species May 19, 2006 # -[14C]H4 + CH3D = [14C]H3D + CH4 +[14C]H4 + CH3D = [14C]H3D + CH4 [14C]H4 + CH2D2 = [14C]H2D2 + CH4 -[14C]H4 + CHD3 = [14C]HD3 + CH4 -[14C]H4 + CD4 = [14C]D4 + CH4 -[14C]H4 + CH3T = [14C]H3T + CH4 +[14C]H4 + CHD3 = [14C]HD3 + CH4 +[14C]H4 + CD4 = [14C]D4 + CH4 +[14C]H4 + CH3T = [14C]H3T + CH4 [14C]H4 + CH2T2 = [14C]H2T2 + CH4 -[14C]H4 + CHT3 = [14C]HT3 + CH4 -[14C]H4 + CT4 = [14C]T4 + CH4 -[14C]H4 + CD3T = [14C]D3T + CH4 +[14C]H4 + CHT3 = [14C]HT3 + CH4 +[14C]H4 + CT4 = [14C]T4 + CH4 +[14C]H4 + CD3T = [14C]D3T + CH4 [14C]H4 + CD2T2 = [14C]D2T2 + CH4 -[14C]H4 + CDT3 = [14C]DT3 + CH4 +[14C]H4 + CDT3 = [14C]DT3 + CH4 # # HSO4- reactions # Updated September 28, 2006 # Checked September 28, 2006 # HSO4- + HDO = DSO4- + H2O - log_k -0.301029995663 # -log10(2) - -add_logk Log_alpha_D_HSO4-/H2O(l) 1.0 - -mole_balance DS(6)O4- + log_k -0.301029995663 # -log10(2) + -add_logk Log_alpha_D_HSO4-/H2O(l) 1 + -mole_balance DS(6)O4- HSO4- + HTO = TSO4- + H2O - log_k -0.301029995663 # -log10(2) - -add_logk Log_alpha_T_HSO4-/H2O(l) 1.0 - -mole_balance TS(6)O4- + log_k -0.301029995663 # -log10(2) + -add_logk Log_alpha_T_HSO4-/H2O(l) 1 + -mole_balance TS(6)O4- [34S]O4-2 + HSO4- = H[34S]O4- + SO4-2 - -add_logk Log_alpha_34S_HSO4-/SO4-2 1.0 - -mole_balance H[34S](6)O4- + -add_logk Log_alpha_34S_HSO4-/SO4-2 1 + -mole_balance H[34S](6)O4- H[34S]O4- + DSO4- = D[34S]O4- + HSO4- - -mole_balance D[34S](6)O4 + -mole_balance D[34S](6)O4 H[34S]O4- + TSO4- = T[34S]O4- + HSO4- - -mole_balance T[34S](6)O4- + -mole_balance T[34S](6)O4- # # S-2 reactions # S-2 + H[34S]- = [34S]-2 + HS- - -add_logk Log_alpha_34S_S-2/HS- 1.0 - -mole_balance [34S](-2) - -gamma 5.0000 0.0000 + -add_logk Log_alpha_34S_S-2/HS- 1 + -mole_balance [34S](-2) + -gamma 5 0 # # HS- reactions # HS- + HDO = DS- + H2O - log_k -0.301029995663 # -log10(2) - -add_logk Log_alpha_D_HS-/H2O(l) 1.0 - -mole_balance DS(-2) - -gamma 3.5000 0.0000 + log_k -0.301029995663 # -log10(2) + -add_logk Log_alpha_D_HS-/H2O(l) 1 + -mole_balance DS(-2) + -gamma 3.5 0 HS- + HTO = TS- + H2O - log_k -0.301029995663 # -log10(2) - -add_logk Log_alpha_T_HS-/H2O(l) 1.0 - -mole_balance TS(-2) - -gamma 3.5000 0.0000 + log_k -0.301029995663 # -log10(2) + -add_logk Log_alpha_T_HS-/H2O(l) 1 + -mole_balance TS(-2) + -gamma 3.5 0 HS- + [34S]O4-2 = H[34S]- + SO4-2 - -add_logk Log_alpha_34S_HS-/SO4-2 1.0 - -mole_balance H[34S](-2) - -gamma 3.5000 0.0000 + -add_logk Log_alpha_34S_HS-/SO4-2 1 + -mole_balance H[34S](-2) + -gamma 3.5 0 H[34S]- + DS- = D[34S]- + HS- - -gamma 3.5000 0.0000 - -mole_balance D[34S](-2) + -gamma 3.5 0 + -mole_balance D[34S](-2) H[34S]- + TS- = T[34S]- + HS- - -gamma 3.5000 0.0000 - -mole_balance T[34S](-2) + -gamma 3.5 0 + -mole_balance T[34S](-2) # # H2S reactions # H2S + HDO = HDS + H2O - -add_logk Log_alpha_D_H2S(aq)/H2O(l) 1.0 - -mole_balance HDS(-2) + -add_logk Log_alpha_D_H2S(aq)/H2O(l) 1 + -mole_balance HDS(-2) -2HDS = D2S + H2S - log_k -0.602059991327962396 # -log10(4) - -mole_balance D2S(-2) +2 HDS = D2S + H2S + log_k -0.602059991327962396 # -log10(4) + -mole_balance D2S(-2) H2S + HTO = HTS + H2O - -add_logk Log_alpha_T_H2S(aq)/H2O(l) 1.0 - -mole_balance HTS(-2) + -add_logk Log_alpha_T_H2S(aq)/H2O(l) 1 + -mole_balance HTS(-2) -2HTS = T2S + H2S - log_k -0.602059991327962396 # -log10(4) - -mole_balance T2S(-2) +2 HTS = T2S + H2S + log_k -0.602059991327962396 # -log10(4) + -mole_balance T2S(-2) HDS + HTS = DTS + H2S - log_k -0.301029995663 # log10(1/2) - -mole_balance DTS(-2) + log_k -0.301029995663 # log10(1/2) + -mole_balance DTS(-2) H[34S]- + H2S = H2[34S] + HS- - -add_logk Log_alpha_34S_H2S(aq)/HS- 1.0 - -mole_balance H2[34S](-2) + -add_logk Log_alpha_34S_H2S(aq)/HS- 1 + -mole_balance H2[34S](-2) H2[34S] + HDS = HD[34S] + H2S - -mole_balance HD[34S](-2) + -mole_balance HD[34S](-2) H2[34S] + D2S = D2[34S] + H2S - -mole_balance D2[34S](-2) + -mole_balance D2[34S](-2) H2[34S] + HTS = HT[34S] + H2S - -mole_balance HT[34S](-2) + -mole_balance HT[34S](-2) H2[34S] + T2S = T2[34S] + H2S - -mole_balance T2[34S](-2) + -mole_balance T2[34S](-2) H2[34S] + DTS = DT[34S] + H2S - -mole_balance DT[34S](-2) + -mole_balance DT[34S](-2) # # NO2- reactions # Updated March 20, 2006 @@ -4298,177 +4302,177 @@ H2[34S] + DTS = DT[34S] + H2S # Checked September 19, 2006 # [15N]O3- + NO2- = [15N]O2- + NO3- - -add_logk Log_alpha_15N_NO2-/NO3- 1.0 - -gamma 3.0000 0.0000 + -add_logk Log_alpha_15N_NO2-/NO3- 1 + -gamma 3 0 # # N2 reactions # N2 + [15N]O3- = N[15N] + NO3- - log_k 0.301029995663 # log10(2) - -add_logk Log_alpha_15N_N2(aq)/NO3- 1.0 - -mole_balance [15N](0)N(0) -2N[15N] = [15N]2 + N2 - log_k -0.602059991327962396 # -log10(4) - -mole_balance [15N](0)2 + log_k 0.301029995663 # log10(2) + -add_logk Log_alpha_15N_N2(aq)/NO3- 1 + -mole_balance [15N](0)N(0) +2 N[15N] = [15N]2 + N2 + log_k -0.602059991327962396 # -log10(4) + -mole_balance [15N](0)2 # # NH3 reactions -# +# HDO + NH3 = NH2D + H2O - log_k 0.176091259055 # log10(1.5) - -add_logk Log_alpha_D_NH3(aq)/H2O(l) 1.0 - -2NH2D = NHD2 + NH3 - log_k -0.477121254719 # -log10(3) - -3NH2D = ND3 + 2NH3 - -logk -1.431363764158 # log10(1/27) + log_k 0.176091259055 # log10(1.5) + -add_logk Log_alpha_D_NH3(aq)/H2O(l) 1 + +2 NH2D = NHD2 + NH3 + log_k -0.477121254719 # -log10(3) + +3 NH2D = ND3 + 2 NH3 + -logk -1.431363764158 # log10(1/27) HTO + NH3 = NH2T + H2O - log_k 0.176091259055 # log10(1.5) - -add_logk Log_alpha_T_NH3(aq)/H2O(l) 1.0 + log_k 0.176091259055 # log10(1.5) + -add_logk Log_alpha_T_NH3(aq)/H2O(l) 1 + +2 NH2T = NHT2 + NH3 + log_k -0.477121254719662 # log10(1/3) -2NH2T = NHT2 + NH3 - log_k -0.477121254719662 # log10(1/3) +3 NH2T = NT3 + 2 NH3 + -logk -1.431363764158 # log10(1/27) -3NH2T = NT3 + 2NH3 - -logk -1.431363764158 # log10(1/27) - NHD2 + NH2T = ND2T + NH3 - log_k -0.477121254719 # -log10(3) - + log_k -0.477121254719 # -log10(3) + NH2D + NHT2 = NDT2 + NH3 - log_k -0.477121254719 # -log10(3) - + log_k -0.477121254719 # -log10(3) + # Checked September 19, 2006 - + NH3 + [15N]O3- = [15N]H3 + NO3- - -add_logk Log_alpha_15N_NH3(aq)/NO3- 1.0 - -mole_balance [15N](-3)H3 - + -add_logk Log_alpha_15N_NH3(aq)/NO3- 1 + -mole_balance [15N](-3)H3 + [15N]H3 + NH2D = [15N]H2D + NH3 [15N]H3 + NHD2 = [15N]HD2 + NH3 -[15N]H3 + ND3 = [15N]D3 + NH3 +[15N]H3 + ND3 = [15N]D3 + NH3 [15N]H3 + NH2T = [15N]H2T + NH3 [15N]H3 + NHT2 = [15N]HT2 + NH3 -[15N]H3 + NT3 = [15N]T3 + NH3 +[15N]H3 + NT3 = [15N]T3 + NH3 [15N]H3 + ND2T = [15N]D2T + NH3 [15N]H3 + NDT2 = [15N]DT2 + NH3 -# +# # NH4+ reactions # Updated September 19, 2006 # Checked September 19, 2006 -# +# HDO + NH4+ = NH3D+ + H2O - log_k 0.301029995663 # log10(2) - -add_logk Log_alpha_D_NH4+/H2O(l) 1.0 - -mole_balance N(-3)H3D - -gamma 2.5000 0.0000 - -2NH3D+ = NH2D2+ + NH4+ - log_k -0.42596873227228 # log10(3/8) - -mole_balance N(-3)H2D2 - -gamma 2.5000 0.0000 - -3NH3D+ = NHD3+ + 2NH4+ - log_k -1.20411998265 # log10(1/16) - -mole_balance N(-3)HD3 - -gamma 2.5000 0.0000 - -4NH3D+ = ND4+ + 3NH4+ - log_k -2.408239965311 # log10(1/256) - -mole_balance N(-3)D4 - -gamma 2.5000 0.0000 - + log_k 0.301029995663 # log10(2) + -add_logk Log_alpha_D_NH4+/H2O(l) 1 + -mole_balance N(-3)H3D + -gamma 2.5 0 + +2 NH3D+ = NH2D2+ + NH4+ + log_k -0.42596873227228 # log10(3/8) + -mole_balance N(-3)H2D2 + -gamma 2.5 0 + +3 NH3D+ = NHD3+ + 2 NH4+ + log_k -1.20411998265 # log10(1/16) + -mole_balance N(-3)HD3 + -gamma 2.5 0 + +4 NH3D+ = ND4+ + 3 NH4+ + log_k -2.408239965311 # log10(1/256) + -mole_balance N(-3)D4 + -gamma 2.5 0 + HTO + NH4+ = NH3T+ + H2O - log_k 0.301029995663 # log10(2) - -add_logk Log_alpha_T_NH4+/H2O(l) 1.0 - -mole_balance N(-3)H3T - -gamma 2.5000 0.0000 - -2NH3T+ = NH2T2+ + NH4+ - log_k -0.42596873227228 # log10(3/8) - -mole_balance N(-3)H2T2 - -gamma 2.5000 0.0000 - -3NH3T+ = NHT3+ + 2NH4+ - log_k -1.20411998265 # log10(1/16) - -mole_balance N(-3)HT3 - -gamma 2.5000 0.0000 - -4NH3T+ = NT4+ + 3NH4+ - log_k -2.408239965311 # log10(1/256) - -mole_balance N(-3)T4 - -gamma 2.5000 0.0000 -# + log_k 0.301029995663 # log10(2) + -add_logk Log_alpha_T_NH4+/H2O(l) 1 + -mole_balance N(-3)H3T + -gamma 2.5 0 + +2 NH3T+ = NH2T2+ + NH4+ + log_k -0.42596873227228 # log10(3/8) + -mole_balance N(-3)H2T2 + -gamma 2.5 0 + +3 NH3T+ = NHT3+ + 2 NH4+ + log_k -1.20411998265 # log10(1/16) + -mole_balance N(-3)HT3 + -gamma 2.5 0 + +4 NH3T+ = NT4+ + 3 NH4+ + log_k -2.408239965311 # log10(1/256) + -mole_balance N(-3)T4 + -gamma 2.5 0 +# # Updated September 19, 2006 # Checked September 19, 2006 -# +# NHD3+ + NH3T+ = ND3T+ + NH4+ - log_k -0.602059991327962396 # -log10(4) - -mole_balance N(-3)D3T - -gamma 2.5000 0.0000 - + log_k -0.602059991327962396 # -log10(4) + -mole_balance N(-3)D3T + -gamma 2.5 0 + NH2D2+ + NH2T2+ = ND2T2+ + NH4+ - log_k -0.7781512503836 # -log10(6) - -mole_balance N(-3)D2T2 - -gamma 2.5000 0.0000 - + log_k -0.7781512503836 # -log10(6) + -mole_balance N(-3)D2T2 + -gamma 2.5 0 + NH3D+ + NHT3+ = NDT3+ + NH4+ - log_k -0.602059991327962396 # -log10(4) - -mole_balance N(-3)DT3 - -gamma 2.5000 0.0000 - + log_k -0.602059991327962396 # -log10(4) + -mole_balance N(-3)DT3 + -gamma 2.5 0 + [15N]H3 + NH4+ = [15N]H4+ + NH3 - -add_logk Log_alpha_15N_NH4+/NH3(aq) 1.0 - -mole_balance [15N](-3)H4 - -gamma 2.5000 0.0000 - + -add_logk Log_alpha_15N_NH4+/NH3(aq) 1 + -mole_balance [15N](-3)H4 + -gamma 2.5 0 + [15N]H4+ + NH3D+ = [15N]H3D+ + NH4+ - -mole_balance [15N](-3)H3D - -gamma 2.5000 0.0000 - + -mole_balance [15N](-3)H3D + -gamma 2.5 0 + [15N]H4+ + NH2D2+ = [15N]H2D2+ + NH4+ - -mole_balance [15N](-3)H2D2 - -gamma 2.5000 0.0000 - + -mole_balance [15N](-3)H2D2 + -gamma 2.5 0 + [15N]H4+ + NHD3+ = [15N]HD3+ + NH4+ - -mole_balance [15N](-3)HD3 - -gamma 2.5000 0.0000 - + -mole_balance [15N](-3)HD3 + -gamma 2.5 0 + [15N]H4+ + ND4+ = [15N]D4+ + NH4+ - -mole_balance [15N](-3)D4+ - -gamma 2.5000 0.0000 - + -mole_balance [15N](-3)D4+ + -gamma 2.5 0 + [15N]H4+ + NH3T+ = [15N]H3T+ + NH4+ - -mole_balance [15N](-3)H3T - -gamma 2.5000 0.0000 - + -mole_balance [15N](-3)H3T + -gamma 2.5 0 + [15N]H4+ + NH2T2+ = [15N]H2T2+ + NH4+ - -mole_balance [15N](-3)H2T2 - -gamma 2.5000 0.0000 - + -mole_balance [15N](-3)H2T2 + -gamma 2.5 0 + [15N]H4+ + NHT3+ = [15N]HT3+ + NH4+ - -mole_balance [15N](-3)HT3 - -gamma 2.5000 0.0000 - + -mole_balance [15N](-3)HT3 + -gamma 2.5 0 + [15N]H4+ + NT4+ = [15N]T4+ + NH4+ - -mole_balance [15N](-3)T4+ - -gamma 2.5000 0.0000 - + -mole_balance [15N](-3)T4+ + -gamma 2.5 0 + [15N]H4+ + ND3T+ = [15N]D3T+ + NH4+ - -mole_balance [15N](-3)D3T - -gamma 2.5000 0.0000 - + -mole_balance [15N](-3)D3T + -gamma 2.5 0 + [15N]H4+ + ND2T2+ = [15N]D2T2+ + NH4+ - -mole_balance [15N](-3)D2T2 - -gamma 2.5000 0.0000 - + -mole_balance [15N](-3)D2T2 + -gamma 2.5 0 + [15N]H4+ + NDT3+ = [15N]DT3+ + NH4+ - -mole_balance [15N](-3)DT3 - -gamma 2.5000 0.0000 -# + -mole_balance [15N](-3)DT3 + -gamma 2.5 0 +# # Missing NH4SO4- reactions -# +# # # Missing PO4-2 reactions # @@ -4489,18 +4493,18 @@ HF + HTO = TF + H2O HF2- + HDO = DF2- + H2O HF2- + HTO = TF2- + H2O # -# CaOH reactions +# CaOH reactions # CaOH+ + [18O]H- = Ca[18O]H+ + OH- - -mole_balance Ca[18O]H + -mole_balance Ca[18O]H CaOH+ + OD- = CaOD+ + OH- - -mole_balance CaOD + -mole_balance CaOD CaOH+ + [18O]D- = Ca[18O]D+ + OH- - -mole_balance Ca[18O]D + -mole_balance Ca[18O]D CaOH+ + OT- = CaOT+ + OH- - -mole_balance CaOT+ + -mole_balance CaOT+ CaOH+ + [18O]T- = Ca[18O]T+ + OH- - -mole_balance Ca[18O]T + -mole_balance Ca[18O]T # # CaCO3 reactions # @@ -4519,219 +4523,219 @@ CaCO3 + [14C][18O]3-2 = Ca[14C][18O]3 + CO3-2 # CaHCO3+ reactions # CaHCO3+ + HCO2[18O]- = CaHCO2[18O]+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + HCO[18O]O- = CaHCO[18O]O+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + HC[18O]O2- = CaHC[18O]O2+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + HCO[18O]2- = CaHCO[18O]2+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + HC[18O]O[18O]- = CaHC[18O]O[18O]+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + HC[18O]2O- = CaHC[18O]2O+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + HC[18O]3- = CaHC[18O]3+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + H[13C]O3- = CaH[13C]O3+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + H[13C]O2[18O]- = CaH[13C]O2[18O]+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + H[13C]O[18O]O- = CaH[13C]O[18O]O+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + H[13C][18O]O2- = CaH[13C][18O]O2+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + H[13C]O[18O]2- = CaH[13C]O[18O]2+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + H[13C][18O]O[18O]- = CaH[13C][18O]O[18O]+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + H[13C][18O]2O- = CaH[13C][18O]2O+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + H[13C][18O]3- = CaH[13C][18O]3+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + H[14C]O3- = CaH[14C]O3+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + H[14C]O2[18O]- = CaH[14C]O2[18O]+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + H[14C]O[18O]O- = CaH[14C]O[18O]O+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + H[14C][18O]O2- = CaH[14C][18O]O2+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + H[14C]O[18O]2- = CaH[14C]O[18O]2+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + H[14C][18O]O[18O]- = CaH[14C][18O]O[18O]+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + H[14C][18O]2O- = CaH[14C][18O]2O+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + H[14C][18O]3- = CaH[14C][18O]3+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 # DCO3- CaHCO3+ + DCO3- = CaDCO3+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + DCO2[18O]- = CaDCO2[18O]+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + DCO[18O]O- = CaDCO[18O]O+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + DC[18O]O2- = CaDC[18O]O2+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + DCO[18O]2- = CaDCO[18O]2+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + DC[18O]O[18O]- = CaDC[18O]O[18O]+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + DC[18O]2O- = CaDC[18O]2O+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + DC[18O]3- = CaDC[18O]3+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + D[13C]O3- = CaD[13C]O3+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + D[13C]O2[18O]- = CaD[13C]O2[18O]+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + D[13C]O[18O]O- = CaD[13C]O[18O]O+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + D[13C][18O]O2- = CaD[13C][18O]O2+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + D[13C]O[18O]2- = CaD[13C]O[18O]2+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + D[13C][18O]O[18O]- = CaD[13C][18O]O[18O]+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + D[13C][18O]2O- = CaD[13C][18O]2O+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + D[13C][18O]3- = CaD[13C][18O]3+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + D[14C]O3- = CaD[14C]O3+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + D[14C]O2[18O]- = CaD[14C]O2[18O]+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + D[14C]O[18O]O- = CaD[14C]O[18O]O+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + D[14C][18O]O2- = CaD[14C][18O]O2+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + D[14C]O[18O]2- = CaD[14C]O[18O]2+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + D[14C][18O]O[18O]- = CaD[14C][18O]O[18O]+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + D[14C][18O]2O- = CaD[14C][18O]2O+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + D[14C][18O]3- = CaD[14C][18O]3+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 # TCO3- CaHCO3+ + TCO3- = CaTCO3+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + TCO2[18O]- = CaTCO2[18O]+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + TCO[18O]O- = CaTCO[18O]O+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + TC[18O]O2- = CaTC[18O]O2+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + TCO[18O]2- = CaTCO[18O]2+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + TC[18O]O[18O]- = CaTC[18O]O[18O]+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + TC[18O]2O- = CaTC[18O]2O+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + TC[18O]3- = CaTC[18O]3+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + T[13C]O3- = CaT[13C]O3+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + T[13C]O2[18O]- = CaT[13C]O2[18O]+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + T[13C]O[18O]O- = CaT[13C]O[18O]O+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + T[13C][18O]O2- = CaT[13C][18O]O2+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + T[13C]O[18O]2- = CaT[13C]O[18O]2+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + T[13C][18O]O[18O]- = CaT[13C][18O]O[18O]+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + T[13C][18O]2O- = CaT[13C][18O]2O+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + T[13C][18O]3- = CaT[13C][18O]3+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + T[14C]O3- = CaT[14C]O3+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + T[14C]O2[18O]- = CaT[14C]O2[18O]+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + T[14C]O[18O]O- = CaT[14C]O[18O]O+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + T[14C][18O]O2- = CaT[14C][18O]O2+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + T[14C]O[18O]2- = CaT[14C]O[18O]2+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + T[14C][18O]O[18O]- = CaT[14C][18O]O[18O]+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + T[14C][18O]2O- = CaT[14C][18O]2O+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + T[14C][18O]3- = CaT[14C][18O]3+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 # # CaSO4 reactions # @@ -4858,13 +4862,13 @@ MgHCO3+ + T[14C][18O]3- = MgT[14C][18O]3+ + HCO3- MgSO4 + [34S]O4-2 = Mg[34S]O4 + SO4-2 # # Missing MgPO4- reactions -# +# # # Missing MgHPO4 reactions -# +# # # Missing Mg2PO4+ reactions -# +# # # NaOH reactions # @@ -4982,7 +4986,7 @@ KOH + OT- = KOT + OH- KOH + [18O]T- = K[18O]T + OH- # # KSO4- reactions -# +# KSO4- + [34S]O4-2 = K[34S]O4- + SO4-2 # # Added FeOH+ reactions 16Dec09 @@ -5098,171 +5102,171 @@ FeHSO4+ + T[34S]O4- = FeT[34S]O4+ + HSO4- # Added Fe(HS)2 reactions 16Dec09 # Revised 17Dec09, limited the number of species # -Fe(HS)2 + HS- + DS- = FeHSDS + 2HS- -Fe(HS)2 + HS- + TS- = FeHSTS + 2HS- -Fe(HS)2 + HS- + H[34S]- = FeHSH[34S] + 2HS- -Fe(HS)2 + HS- + D[34S]- = FeHSD[34S] + 2HS- -Fe(HS)2 + HS- + T[34S]- = FeHST[34S] + 2HS- -Fe(HS)2 + DS- + HS- = FeDSHS + 2HS- -Fe(HS)2 + DS- + DS- = FeDSDS + 2HS- -Fe(HS)2 + DS- + TS- = FeDSTS + 2HS- -Fe(HS)2 + DS- + H[34S]- = FeDSH[34S] + 2HS- -Fe(HS)2 + DS- + D[34S]- = FeDSD[34S] + 2HS- -Fe(HS)2 + DS- + T[34S]- = FeDST[34S] + 2HS- -Fe(HS)2 + TS- + HS- = FeTSHS + 2HS- -Fe(HS)2 + TS- + DS- = FeTSDS + 2HS- -Fe(HS)2 + TS- + H[34S]- = FeTSH[34S] + 2HS- -Fe(HS)2 + TS- + D[34S]- = FeTSD[34S] + 2HS- -Fe(HS)2 + H[34S]- + HS- = FeH[34S]HS + 2HS- -Fe(HS)2 + H[34S]- + DS- = FeH[34S]DS + 2HS- -Fe(HS)2 + H[34S]- + TS- = FeH[34S]TS + 2HS- -Fe(HS)2 + H[34S]- + H[34S]- = FeH[34S]H[34S] + 2HS- -Fe(HS)2 + H[34S]- + D[34S]- = FeH[34S]D[34S] + 2HS- -Fe(HS)2 + H[34S]- + T[34S]- = FeH[34S]T[34S] + 2HS- -Fe(HS)2 + D[34S]- + HS- = FeD[34S]HS + 2HS- -Fe(HS)2 + D[34S]- + DS- = FeD[34S]DS + 2HS- -Fe(HS)2 + D[34S]- + TS- = FeD[34S]TS + 2HS- -Fe(HS)2 + D[34S]- + H[34S]- = FeD[34S]H[34S] + 2HS- -Fe(HS)2 + D[34S]- + D[34S]- = FeD[34S]D[34S] + 2HS- -Fe(HS)2 + D[34S]- + T[34S]- = FeD[34S]T[34S] + 2HS- -Fe(HS)2 + T[34S]- + HS- = FeT[34S]HS + 2HS- -Fe(HS)2 + T[34S]- + DS- = FeT[34S]DS + 2HS- -Fe(HS)2 + T[34S]- + H[34S]- = FeT[34S]H[34S] + 2HS- -Fe(HS)2 + T[34S]- + D[34S]- = FeT[34S]D[34S] + 2HS- +Fe(HS)2 + HS- + DS- = FeHSDS + 2 HS- +Fe(HS)2 + HS- + TS- = FeHSTS + 2 HS- +Fe(HS)2 + HS- + H[34S]- = FeHSH[34S] + 2 HS- +Fe(HS)2 + HS- + D[34S]- = FeHSD[34S] + 2 HS- +Fe(HS)2 + HS- + T[34S]- = FeHST[34S] + 2 HS- +Fe(HS)2 + DS- + HS- = FeDSHS + 2 HS- +Fe(HS)2 + DS- + DS- = FeDSDS + 2 HS- +Fe(HS)2 + DS- + TS- = FeDSTS + 2 HS- +Fe(HS)2 + DS- + H[34S]- = FeDSH[34S] + 2 HS- +Fe(HS)2 + DS- + D[34S]- = FeDSD[34S] + 2 HS- +Fe(HS)2 + DS- + T[34S]- = FeDST[34S] + 2 HS- +Fe(HS)2 + TS- + HS- = FeTSHS + 2 HS- +Fe(HS)2 + TS- + DS- = FeTSDS + 2 HS- +Fe(HS)2 + TS- + H[34S]- = FeTSH[34S] + 2 HS- +Fe(HS)2 + TS- + D[34S]- = FeTSD[34S] + 2 HS- +Fe(HS)2 + H[34S]- + HS- = FeH[34S]HS + 2 HS- +Fe(HS)2 + H[34S]- + DS- = FeH[34S]DS + 2 HS- +Fe(HS)2 + H[34S]- + TS- = FeH[34S]TS + 2 HS- +Fe(HS)2 + H[34S]- + H[34S]- = FeH[34S]H[34S] + 2 HS- +Fe(HS)2 + H[34S]- + D[34S]- = FeH[34S]D[34S] + 2 HS- +Fe(HS)2 + H[34S]- + T[34S]- = FeH[34S]T[34S] + 2 HS- +Fe(HS)2 + D[34S]- + HS- = FeD[34S]HS + 2 HS- +Fe(HS)2 + D[34S]- + DS- = FeD[34S]DS + 2 HS- +Fe(HS)2 + D[34S]- + TS- = FeD[34S]TS + 2 HS- +Fe(HS)2 + D[34S]- + H[34S]- = FeD[34S]H[34S] + 2 HS- +Fe(HS)2 + D[34S]- + D[34S]- = FeD[34S]D[34S] + 2 HS- +Fe(HS)2 + D[34S]- + T[34S]- = FeD[34S]T[34S] + 2 HS- +Fe(HS)2 + T[34S]- + HS- = FeT[34S]HS + 2 HS- +Fe(HS)2 + T[34S]- + DS- = FeT[34S]DS + 2 HS- +Fe(HS)2 + T[34S]- + H[34S]- = FeT[34S]H[34S] + 2 HS- +Fe(HS)2 + T[34S]- + D[34S]- = FeT[34S]D[34S] + 2 HS- # # Added Fe(HS)3- reactions 16Dec09 # Revised 17Dec09, limited the number of species # -Fe(HS)3- + HS- + HS- + DS- = FeHSHSDS- + 3HS- -Fe(HS)3- + HS- + HS- + TS- = FeHSHSTS- + 3HS- -Fe(HS)3- + HS- + HS- + H[34S]- = FeHSHSH[34S]- + 3HS- -Fe(HS)3- + HS- + HS- + D[34S]- = FeHSHSD[34S]- + 3HS- -Fe(HS)3- + HS- + HS- + T[34S]- = FeHSHST[34S]- + 3HS- -Fe(HS)3- + HS- + DS- + HS- = FeHSDSHS- + 3HS- -Fe(HS)3- + HS- + DS- + DS- = FeHSDSDS- + 3HS- -Fe(HS)3- + HS- + DS- + TS- = FeHSDSTS- + 3HS- -Fe(HS)3- + HS- + DS- + H[34S]- = FeHSDSH[34S]- + 3HS- -Fe(HS)3- + HS- + DS- + D[34S]- = FeHSDSD[34S]- + 3HS- -Fe(HS)3- + HS- + DS- + T[34S]- = FeHSDST[34S]- + 3HS- -Fe(HS)3- + HS- + TS- + HS- = FeHSTSHS- + 3HS- -Fe(HS)3- + HS- + TS- + DS- = FeHSTSDS- + 3HS- -Fe(HS)3- + HS- + TS- + H[34S]- = FeHSTSH[34S]- + 3HS- -Fe(HS)3- + HS- + TS- + D[34S]- = FeHSTSD[34S]- + 3HS- -Fe(HS)3- + HS- + H[34S]- + HS- = FeHSH[34S]HS- + 3HS- -Fe(HS)3- + HS- + H[34S]- + DS- = FeHSH[34S]DS- + 3HS- -Fe(HS)3- + HS- + H[34S]- + TS- = FeHSH[34S]TS- + 3HS- -Fe(HS)3- + HS- + H[34S]- + H[34S]- = FeHSH[34S]H[34S]- + 3HS- -Fe(HS)3- + HS- + H[34S]- + D[34S]- = FeHSH[34S]D[34S]- + 3HS- -Fe(HS)3- + HS- + H[34S]- + T[34S]- = FeHSH[34S]T[34S]- + 3HS- -Fe(HS)3- + HS- + D[34S]- + HS- = FeHSD[34S]HS- + 3HS- -Fe(HS)3- + HS- + D[34S]- + DS- = FeHSD[34S]DS- + 3HS- -Fe(HS)3- + HS- + D[34S]- + TS- = FeHSD[34S]TS- + 3HS- -Fe(HS)3- + HS- + D[34S]- + H[34S]- = FeHSD[34S]H[34S]- + 3HS- -Fe(HS)3- + HS- + D[34S]- + D[34S]- = FeHSD[34S]D[34S]- + 3HS- -Fe(HS)3- + HS- + D[34S]- + T[34S]- = FeHSD[34S]T[34S]- + 3HS- -Fe(HS)3- + HS- + T[34S]- + HS- = FeHST[34S]HS- + 3HS- -Fe(HS)3- + HS- + T[34S]- + DS- = FeHST[34S]DS- + 3HS- -Fe(HS)3- + HS- + T[34S]- + H[34S]- = FeHST[34S]H[34S]- + 3HS- -Fe(HS)3- + HS- + T[34S]- + D[34S]- = FeHST[34S]D[34S]- + 3HS- -Fe(HS)3- + DS- + HS- + HS- = FeDSHSHS- + 3HS- -Fe(HS)3- + DS- + HS- + DS- = FeDSHSDS- + 3HS- -Fe(HS)3- + DS- + HS- + TS- = FeDSHSTS- + 3HS- -Fe(HS)3- + DS- + HS- + H[34S]- = FeDSHSH[34S]- + 3HS- -Fe(HS)3- + DS- + HS- + D[34S]- = FeDSHSD[34S]- + 3HS- -Fe(HS)3- + DS- + HS- + T[34S]- = FeDSHST[34S]- + 3HS- -Fe(HS)3- + DS- + DS- + HS- = FeDSDSHS- + 3HS- -Fe(HS)3- + DS- + DS- + TS- = FeDSDSTS- + 3HS- -Fe(HS)3- + DS- + DS- + H[34S]- = FeDSDSH[34S]- + 3HS- -Fe(HS)3- + DS- + DS- + T[34S]- = FeDSDST[34S]- + 3HS- -Fe(HS)3- + DS- + TS- + HS- = FeDSTSHS- + 3HS- -Fe(HS)3- + DS- + TS- + DS- = FeDSTSDS- + 3HS- -Fe(HS)3- + DS- + TS- + H[34S]- = FeDSTSH[34S]- + 3HS- -Fe(HS)3- + DS- + TS- + D[34S]- = FeDSTSD[34S]- + 3HS- -Fe(HS)3- + DS- + H[34S]- + HS- = FeDSH[34S]HS- + 3HS- -Fe(HS)3- + DS- + H[34S]- + DS- = FeDSH[34S]DS- + 3HS- -Fe(HS)3- + DS- + H[34S]- + TS- = FeDSH[34S]TS- + 3HS- -Fe(HS)3- + DS- + H[34S]- + H[34S]- = FeDSH[34S]H[34S]- + 3HS- -Fe(HS)3- + DS- + H[34S]- + D[34S]- = FeDSH[34S]D[34S]- + 3HS- -Fe(HS)3- + DS- + H[34S]- + T[34S]- = FeDSH[34S]T[34S]- + 3HS- -Fe(HS)3- + DS- + D[34S]- + HS- = FeDSD[34S]HS- + 3HS- -Fe(HS)3- + DS- + D[34S]- + TS- = FeDSD[34S]TS- + 3HS- -Fe(HS)3- + DS- + D[34S]- + H[34S]- = FeDSD[34S]H[34S]- + 3HS- -Fe(HS)3- + DS- + T[34S]- + HS- = FeDST[34S]HS- + 3HS- -Fe(HS)3- + DS- + T[34S]- + DS- = FeDST[34S]DS- + 3HS- -Fe(HS)3- + DS- + T[34S]- + H[34S]- = FeDST[34S]H[34S]- + 3HS- -Fe(HS)3- + TS- + HS- + HS- = FeTSHSHS- + 3HS- -Fe(HS)3- + TS- + HS- + DS- = FeTSHSDS- + 3HS- -Fe(HS)3- + TS- + HS- + H[34S]- = FeTSHSH[34S]- + 3HS- -Fe(HS)3- + TS- + HS- + D[34S]- = FeTSHSD[34S]- + 3HS- -Fe(HS)3- + TS- + DS- + HS- = FeTSDSHS- + 3HS- -Fe(HS)3- + TS- + DS- + DS- = FeTSDSDS- + 3HS- -Fe(HS)3- + TS- + DS- + H[34S]- = FeTSDSH[34S]- + 3HS- -Fe(HS)3- + TS- + DS- + D[34S]- = FeTSDSD[34S]- + 3HS- -Fe(HS)3- + TS- + H[34S]- + HS- = FeTSH[34S]HS- + 3HS- -Fe(HS)3- + TS- + H[34S]- + DS- = FeTSH[34S]DS- + 3HS- -Fe(HS)3- + TS- + H[34S]- + H[34S]- = FeTSH[34S]H[34S]- + 3HS- -Fe(HS)3- + TS- + H[34S]- + D[34S]- = FeTSH[34S]D[34S]- + 3HS- -Fe(HS)3- + TS- + D[34S]- + HS- = FeTSD[34S]HS- + 3HS- -Fe(HS)3- + TS- + D[34S]- + DS- = FeTSD[34S]DS- + 3HS- -Fe(HS)3- + TS- + D[34S]- + H[34S]- = FeTSD[34S]H[34S]- + 3HS- -Fe(HS)3- + H[34S]- + HS- + HS- = FeH[34S]HSHS- + 3HS- -Fe(HS)3- + H[34S]- + HS- + DS- = FeH[34S]HSDS- + 3HS- -Fe(HS)3- + H[34S]- + HS- + TS- = FeH[34S]HSTS- + 3HS- -Fe(HS)3- + H[34S]- + HS- + H[34S]- = FeH[34S]HSH[34S]- + 3HS- -Fe(HS)3- + H[34S]- + HS- + D[34S]- = FeH[34S]HSD[34S]- + 3HS- -Fe(HS)3- + H[34S]- + HS- + T[34S]- = FeH[34S]HST[34S]- + 3HS- -Fe(HS)3- + H[34S]- + DS- + HS- = FeH[34S]DSHS- + 3HS- -Fe(HS)3- + H[34S]- + DS- + DS- = FeH[34S]DSDS- + 3HS- -Fe(HS)3- + H[34S]- + DS- + TS- = FeH[34S]DSTS- + 3HS- -Fe(HS)3- + H[34S]- + DS- + H[34S]- = FeH[34S]DSH[34S]- + 3HS- -Fe(HS)3- + H[34S]- + DS- + D[34S]- = FeH[34S]DSD[34S]- + 3HS- -Fe(HS)3- + H[34S]- + DS- + T[34S]- = FeH[34S]DST[34S]- + 3HS- -Fe(HS)3- + H[34S]- + TS- + HS- = FeH[34S]TSHS- + 3HS- -Fe(HS)3- + H[34S]- + TS- + DS- = FeH[34S]TSDS- + 3HS- -Fe(HS)3- + H[34S]- + TS- + H[34S]- = FeH[34S]TSH[34S]- + 3HS- -Fe(HS)3- + H[34S]- + TS- + D[34S]- = FeH[34S]TSD[34S]- + 3HS- -Fe(HS)3- + H[34S]- + H[34S]- + HS- = FeH[34S]H[34S]HS- + 3HS- -Fe(HS)3- + H[34S]- + H[34S]- + DS- = FeH[34S]H[34S]DS- + 3HS- -Fe(HS)3- + H[34S]- + H[34S]- + TS- = FeH[34S]H[34S]TS- + 3HS- -Fe(HS)3- + H[34S]- + H[34S]- + H[34S]- = FeH[34S]H[34S]H[34S]- + 3HS- -Fe(HS)3- + H[34S]- + H[34S]- + D[34S]- = FeH[34S]H[34S]D[34S]- + 3HS- -Fe(HS)3- + H[34S]- + H[34S]- + T[34S]- = FeH[34S]H[34S]T[34S]- + 3HS- -Fe(HS)3- + H[34S]- + D[34S]- + HS- = FeH[34S]D[34S]HS- + 3HS- -Fe(HS)3- + H[34S]- + D[34S]- + DS- = FeH[34S]D[34S]DS- + 3HS- -Fe(HS)3- + H[34S]- + D[34S]- + TS- = FeH[34S]D[34S]TS- + 3HS- -Fe(HS)3- + H[34S]- + D[34S]- + H[34S]- = FeH[34S]D[34S]H[34S]- + 3HS- -Fe(HS)3- + H[34S]- + T[34S]- + HS- = FeH[34S]T[34S]HS- + 3HS- -Fe(HS)3- + H[34S]- + T[34S]- + DS- = FeH[34S]T[34S]DS- + 3HS- -Fe(HS)3- + H[34S]- + T[34S]- + H[34S]- = FeH[34S]T[34S]H[34S]- + 3HS- -Fe(HS)3- + D[34S]- + HS- + HS- = FeD[34S]HSHS- + 3HS- -Fe(HS)3- + D[34S]- + HS- + DS- = FeD[34S]HSDS- + 3HS- -Fe(HS)3- + D[34S]- + HS- + TS- = FeD[34S]HSTS- + 3HS- -Fe(HS)3- + D[34S]- + HS- + H[34S]- = FeD[34S]HSH[34S]- + 3HS- -Fe(HS)3- + D[34S]- + HS- + D[34S]- = FeD[34S]HSD[34S]- + 3HS- -Fe(HS)3- + D[34S]- + HS- + T[34S]- = FeD[34S]HST[34S]- + 3HS- -Fe(HS)3- + D[34S]- + DS- + HS- = FeD[34S]DSHS- + 3HS- -Fe(HS)3- + D[34S]- + DS- + TS- = FeD[34S]DSTS- + 3HS- -Fe(HS)3- + D[34S]- + DS- + H[34S]- = FeD[34S]DSH[34S]- + 3HS- -Fe(HS)3- + D[34S]- + TS- + HS- = FeD[34S]TSHS- + 3HS- -Fe(HS)3- + D[34S]- + TS- + DS- = FeD[34S]TSDS- + 3HS- -Fe(HS)3- + D[34S]- + TS- + H[34S]- = FeD[34S]TSH[34S]- + 3HS- -Fe(HS)3- + D[34S]- + H[34S]- + HS- = FeD[34S]H[34S]HS- + 3HS- -Fe(HS)3- + D[34S]- + H[34S]- + DS- = FeD[34S]H[34S]DS- + 3HS- -Fe(HS)3- + D[34S]- + H[34S]- + TS- = FeD[34S]H[34S]TS- + 3HS- -Fe(HS)3- + D[34S]- + H[34S]- + H[34S]- = FeD[34S]H[34S]H[34S]- + 3HS- -Fe(HS)3- + D[34S]- + D[34S]- + HS- = FeD[34S]D[34S]HS- + 3HS- -Fe(HS)3- + D[34S]- + T[34S]- + HS- = FeD[34S]T[34S]HS- + 3HS- -Fe(HS)3- + T[34S]- + HS- + HS- = FeT[34S]HSHS- + 3HS- -Fe(HS)3- + T[34S]- + HS- + DS- = FeT[34S]HSDS- + 3HS- -Fe(HS)3- + T[34S]- + HS- + H[34S]- = FeT[34S]HSH[34S]- + 3HS- -Fe(HS)3- + T[34S]- + HS- + D[34S]- = FeT[34S]HSD[34S]- + 3HS- -Fe(HS)3- + T[34S]- + DS- + HS- = FeT[34S]DSHS- + 3HS- -Fe(HS)3- + T[34S]- + DS- + DS- = FeT[34S]DSDS- + 3HS- -Fe(HS)3- + T[34S]- + DS- + H[34S]- = FeT[34S]DSH[34S]- + 3HS- -Fe(HS)3- + T[34S]- + H[34S]- + HS- = FeT[34S]H[34S]HS- + 3HS- -Fe(HS)3- + T[34S]- + H[34S]- + DS- = FeT[34S]H[34S]DS- + 3HS- -Fe(HS)3- + T[34S]- + H[34S]- + H[34S]- = FeT[34S]H[34S]H[34S]- + 3HS- -Fe(HS)3- + T[34S]- + D[34S]- + HS- = FeT[34S]D[34S]HS- + 3HS- +Fe(HS)3- + HS- + HS- + DS- = FeHSHSDS- + 3 HS- +Fe(HS)3- + HS- + HS- + TS- = FeHSHSTS- + 3 HS- +Fe(HS)3- + HS- + HS- + H[34S]- = FeHSHSH[34S]- + 3 HS- +Fe(HS)3- + HS- + HS- + D[34S]- = FeHSHSD[34S]- + 3 HS- +Fe(HS)3- + HS- + HS- + T[34S]- = FeHSHST[34S]- + 3 HS- +Fe(HS)3- + HS- + DS- + HS- = FeHSDSHS- + 3 HS- +Fe(HS)3- + HS- + DS- + DS- = FeHSDSDS- + 3 HS- +Fe(HS)3- + HS- + DS- + TS- = FeHSDSTS- + 3 HS- +Fe(HS)3- + HS- + DS- + H[34S]- = FeHSDSH[34S]- + 3 HS- +Fe(HS)3- + HS- + DS- + D[34S]- = FeHSDSD[34S]- + 3 HS- +Fe(HS)3- + HS- + DS- + T[34S]- = FeHSDST[34S]- + 3 HS- +Fe(HS)3- + HS- + TS- + HS- = FeHSTSHS- + 3 HS- +Fe(HS)3- + HS- + TS- + DS- = FeHSTSDS- + 3 HS- +Fe(HS)3- + HS- + TS- + H[34S]- = FeHSTSH[34S]- + 3 HS- +Fe(HS)3- + HS- + TS- + D[34S]- = FeHSTSD[34S]- + 3 HS- +Fe(HS)3- + HS- + H[34S]- + HS- = FeHSH[34S]HS- + 3 HS- +Fe(HS)3- + HS- + H[34S]- + DS- = FeHSH[34S]DS- + 3 HS- +Fe(HS)3- + HS- + H[34S]- + TS- = FeHSH[34S]TS- + 3 HS- +Fe(HS)3- + HS- + H[34S]- + H[34S]- = FeHSH[34S]H[34S]- + 3 HS- +Fe(HS)3- + HS- + H[34S]- + D[34S]- = FeHSH[34S]D[34S]- + 3 HS- +Fe(HS)3- + HS- + H[34S]- + T[34S]- = FeHSH[34S]T[34S]- + 3 HS- +Fe(HS)3- + HS- + D[34S]- + HS- = FeHSD[34S]HS- + 3 HS- +Fe(HS)3- + HS- + D[34S]- + DS- = FeHSD[34S]DS- + 3 HS- +Fe(HS)3- + HS- + D[34S]- + TS- = FeHSD[34S]TS- + 3 HS- +Fe(HS)3- + HS- + D[34S]- + H[34S]- = FeHSD[34S]H[34S]- + 3 HS- +Fe(HS)3- + HS- + D[34S]- + D[34S]- = FeHSD[34S]D[34S]- + 3 HS- +Fe(HS)3- + HS- + D[34S]- + T[34S]- = FeHSD[34S]T[34S]- + 3 HS- +Fe(HS)3- + HS- + T[34S]- + HS- = FeHST[34S]HS- + 3 HS- +Fe(HS)3- + HS- + T[34S]- + DS- = FeHST[34S]DS- + 3 HS- +Fe(HS)3- + HS- + T[34S]- + H[34S]- = FeHST[34S]H[34S]- + 3 HS- +Fe(HS)3- + HS- + T[34S]- + D[34S]- = FeHST[34S]D[34S]- + 3 HS- +Fe(HS)3- + DS- + HS- + HS- = FeDSHSHS- + 3 HS- +Fe(HS)3- + DS- + HS- + DS- = FeDSHSDS- + 3 HS- +Fe(HS)3- + DS- + HS- + TS- = FeDSHSTS- + 3 HS- +Fe(HS)3- + DS- + HS- + H[34S]- = FeDSHSH[34S]- + 3 HS- +Fe(HS)3- + DS- + HS- + D[34S]- = FeDSHSD[34S]- + 3 HS- +Fe(HS)3- + DS- + HS- + T[34S]- = FeDSHST[34S]- + 3 HS- +Fe(HS)3- + DS- + DS- + HS- = FeDSDSHS- + 3 HS- +Fe(HS)3- + DS- + DS- + TS- = FeDSDSTS- + 3 HS- +Fe(HS)3- + DS- + DS- + H[34S]- = FeDSDSH[34S]- + 3 HS- +Fe(HS)3- + DS- + DS- + T[34S]- = FeDSDST[34S]- + 3 HS- +Fe(HS)3- + DS- + TS- + HS- = FeDSTSHS- + 3 HS- +Fe(HS)3- + DS- + TS- + DS- = FeDSTSDS- + 3 HS- +Fe(HS)3- + DS- + TS- + H[34S]- = FeDSTSH[34S]- + 3 HS- +Fe(HS)3- + DS- + TS- + D[34S]- = FeDSTSD[34S]- + 3 HS- +Fe(HS)3- + DS- + H[34S]- + HS- = FeDSH[34S]HS- + 3 HS- +Fe(HS)3- + DS- + H[34S]- + DS- = FeDSH[34S]DS- + 3 HS- +Fe(HS)3- + DS- + H[34S]- + TS- = FeDSH[34S]TS- + 3 HS- +Fe(HS)3- + DS- + H[34S]- + H[34S]- = FeDSH[34S]H[34S]- + 3 HS- +Fe(HS)3- + DS- + H[34S]- + D[34S]- = FeDSH[34S]D[34S]- + 3 HS- +Fe(HS)3- + DS- + H[34S]- + T[34S]- = FeDSH[34S]T[34S]- + 3 HS- +Fe(HS)3- + DS- + D[34S]- + HS- = FeDSD[34S]HS- + 3 HS- +Fe(HS)3- + DS- + D[34S]- + TS- = FeDSD[34S]TS- + 3 HS- +Fe(HS)3- + DS- + D[34S]- + H[34S]- = FeDSD[34S]H[34S]- + 3 HS- +Fe(HS)3- + DS- + T[34S]- + HS- = FeDST[34S]HS- + 3 HS- +Fe(HS)3- + DS- + T[34S]- + DS- = FeDST[34S]DS- + 3 HS- +Fe(HS)3- + DS- + T[34S]- + H[34S]- = FeDST[34S]H[34S]- + 3 HS- +Fe(HS)3- + TS- + HS- + HS- = FeTSHSHS- + 3 HS- +Fe(HS)3- + TS- + HS- + DS- = FeTSHSDS- + 3 HS- +Fe(HS)3- + TS- + HS- + H[34S]- = FeTSHSH[34S]- + 3 HS- +Fe(HS)3- + TS- + HS- + D[34S]- = FeTSHSD[34S]- + 3 HS- +Fe(HS)3- + TS- + DS- + HS- = FeTSDSHS- + 3 HS- +Fe(HS)3- + TS- + DS- + DS- = FeTSDSDS- + 3 HS- +Fe(HS)3- + TS- + DS- + H[34S]- = FeTSDSH[34S]- + 3 HS- +Fe(HS)3- + TS- + DS- + D[34S]- = FeTSDSD[34S]- + 3 HS- +Fe(HS)3- + TS- + H[34S]- + HS- = FeTSH[34S]HS- + 3 HS- +Fe(HS)3- + TS- + H[34S]- + DS- = FeTSH[34S]DS- + 3 HS- +Fe(HS)3- + TS- + H[34S]- + H[34S]- = FeTSH[34S]H[34S]- + 3 HS- +Fe(HS)3- + TS- + H[34S]- + D[34S]- = FeTSH[34S]D[34S]- + 3 HS- +Fe(HS)3- + TS- + D[34S]- + HS- = FeTSD[34S]HS- + 3 HS- +Fe(HS)3- + TS- + D[34S]- + DS- = FeTSD[34S]DS- + 3 HS- +Fe(HS)3- + TS- + D[34S]- + H[34S]- = FeTSD[34S]H[34S]- + 3 HS- +Fe(HS)3- + H[34S]- + HS- + HS- = FeH[34S]HSHS- + 3 HS- +Fe(HS)3- + H[34S]- + HS- + DS- = FeH[34S]HSDS- + 3 HS- +Fe(HS)3- + H[34S]- + HS- + TS- = FeH[34S]HSTS- + 3 HS- +Fe(HS)3- + H[34S]- + HS- + H[34S]- = FeH[34S]HSH[34S]- + 3 HS- +Fe(HS)3- + H[34S]- + HS- + D[34S]- = FeH[34S]HSD[34S]- + 3 HS- +Fe(HS)3- + H[34S]- + HS- + T[34S]- = FeH[34S]HST[34S]- + 3 HS- +Fe(HS)3- + H[34S]- + DS- + HS- = FeH[34S]DSHS- + 3 HS- +Fe(HS)3- + H[34S]- + DS- + DS- = FeH[34S]DSDS- + 3 HS- +Fe(HS)3- + H[34S]- + DS- + TS- = FeH[34S]DSTS- + 3 HS- +Fe(HS)3- + H[34S]- + DS- + H[34S]- = FeH[34S]DSH[34S]- + 3 HS- +Fe(HS)3- + H[34S]- + DS- + D[34S]- = FeH[34S]DSD[34S]- + 3 HS- +Fe(HS)3- + H[34S]- + DS- + T[34S]- = FeH[34S]DST[34S]- + 3 HS- +Fe(HS)3- + H[34S]- + TS- + HS- = FeH[34S]TSHS- + 3 HS- +Fe(HS)3- + H[34S]- + TS- + DS- = FeH[34S]TSDS- + 3 HS- +Fe(HS)3- + H[34S]- + TS- + H[34S]- = FeH[34S]TSH[34S]- + 3 HS- +Fe(HS)3- + H[34S]- + TS- + D[34S]- = FeH[34S]TSD[34S]- + 3 HS- +Fe(HS)3- + H[34S]- + H[34S]- + HS- = FeH[34S]H[34S]HS- + 3 HS- +Fe(HS)3- + H[34S]- + H[34S]- + DS- = FeH[34S]H[34S]DS- + 3 HS- +Fe(HS)3- + H[34S]- + H[34S]- + TS- = FeH[34S]H[34S]TS- + 3 HS- +Fe(HS)3- + H[34S]- + H[34S]- + H[34S]- = FeH[34S]H[34S]H[34S]- + 3 HS- +Fe(HS)3- + H[34S]- + H[34S]- + D[34S]- = FeH[34S]H[34S]D[34S]- + 3 HS- +Fe(HS)3- + H[34S]- + H[34S]- + T[34S]- = FeH[34S]H[34S]T[34S]- + 3 HS- +Fe(HS)3- + H[34S]- + D[34S]- + HS- = FeH[34S]D[34S]HS- + 3 HS- +Fe(HS)3- + H[34S]- + D[34S]- + DS- = FeH[34S]D[34S]DS- + 3 HS- +Fe(HS)3- + H[34S]- + D[34S]- + TS- = FeH[34S]D[34S]TS- + 3 HS- +Fe(HS)3- + H[34S]- + D[34S]- + H[34S]- = FeH[34S]D[34S]H[34S]- + 3 HS- +Fe(HS)3- + H[34S]- + T[34S]- + HS- = FeH[34S]T[34S]HS- + 3 HS- +Fe(HS)3- + H[34S]- + T[34S]- + DS- = FeH[34S]T[34S]DS- + 3 HS- +Fe(HS)3- + H[34S]- + T[34S]- + H[34S]- = FeH[34S]T[34S]H[34S]- + 3 HS- +Fe(HS)3- + D[34S]- + HS- + HS- = FeD[34S]HSHS- + 3 HS- +Fe(HS)3- + D[34S]- + HS- + DS- = FeD[34S]HSDS- + 3 HS- +Fe(HS)3- + D[34S]- + HS- + TS- = FeD[34S]HSTS- + 3 HS- +Fe(HS)3- + D[34S]- + HS- + H[34S]- = FeD[34S]HSH[34S]- + 3 HS- +Fe(HS)3- + D[34S]- + HS- + D[34S]- = FeD[34S]HSD[34S]- + 3 HS- +Fe(HS)3- + D[34S]- + HS- + T[34S]- = FeD[34S]HST[34S]- + 3 HS- +Fe(HS)3- + D[34S]- + DS- + HS- = FeD[34S]DSHS- + 3 HS- +Fe(HS)3- + D[34S]- + DS- + TS- = FeD[34S]DSTS- + 3 HS- +Fe(HS)3- + D[34S]- + DS- + H[34S]- = FeD[34S]DSH[34S]- + 3 HS- +Fe(HS)3- + D[34S]- + TS- + HS- = FeD[34S]TSHS- + 3 HS- +Fe(HS)3- + D[34S]- + TS- + DS- = FeD[34S]TSDS- + 3 HS- +Fe(HS)3- + D[34S]- + TS- + H[34S]- = FeD[34S]TSH[34S]- + 3 HS- +Fe(HS)3- + D[34S]- + H[34S]- + HS- = FeD[34S]H[34S]HS- + 3 HS- +Fe(HS)3- + D[34S]- + H[34S]- + DS- = FeD[34S]H[34S]DS- + 3 HS- +Fe(HS)3- + D[34S]- + H[34S]- + TS- = FeD[34S]H[34S]TS- + 3 HS- +Fe(HS)3- + D[34S]- + H[34S]- + H[34S]- = FeD[34S]H[34S]H[34S]- + 3 HS- +Fe(HS)3- + D[34S]- + D[34S]- + HS- = FeD[34S]D[34S]HS- + 3 HS- +Fe(HS)3- + D[34S]- + T[34S]- + HS- = FeD[34S]T[34S]HS- + 3 HS- +Fe(HS)3- + T[34S]- + HS- + HS- = FeT[34S]HSHS- + 3 HS- +Fe(HS)3- + T[34S]- + HS- + DS- = FeT[34S]HSDS- + 3 HS- +Fe(HS)3- + T[34S]- + HS- + H[34S]- = FeT[34S]HSH[34S]- + 3 HS- +Fe(HS)3- + T[34S]- + HS- + D[34S]- = FeT[34S]HSD[34S]- + 3 HS- +Fe(HS)3- + T[34S]- + DS- + HS- = FeT[34S]DSHS- + 3 HS- +Fe(HS)3- + T[34S]- + DS- + DS- = FeT[34S]DSDS- + 3 HS- +Fe(HS)3- + T[34S]- + DS- + H[34S]- = FeT[34S]DSH[34S]- + 3 HS- +Fe(HS)3- + T[34S]- + H[34S]- + HS- = FeT[34S]H[34S]HS- + 3 HS- +Fe(HS)3- + T[34S]- + H[34S]- + DS- = FeT[34S]H[34S]DS- + 3 HS- +Fe(HS)3- + T[34S]- + H[34S]- + H[34S]- = FeT[34S]H[34S]H[34S]- + 3 HS- +Fe(HS)3- + T[34S]- + D[34S]- + HS- = FeT[34S]D[34S]HS- + 3 HS- # # Missing FeHPO4 reactions # @@ -5281,919 +5285,919 @@ FeOH+2 + [18O]T- = Fe[18O]T+2 + OH- # Added Fe(OH)2+ reactions 16Dec09 # Revised 17Dec09, limited the number of species # -Fe(OH)2+ + OH- + OD- = FeOHOD+ + 2OH- -Fe(OH)2+ + OH- + OT- = FeOHOT+ + 2OH- -Fe(OH)2+ + OH- + [18O]H- = FeOH[18O]H+ + 2OH- -Fe(OH)2+ + OH- + [18O]D- = FeOH[18O]D+ + 2OH- -Fe(OH)2+ + OH- + [18O]T- = FeOH[18O]T+ + 2OH- -Fe(OH)2+ + OD- + OH- = FeODOH+ + 2OH- -Fe(OH)2+ + OD- + OD- = FeODOD+ + 2OH- -Fe(OH)2+ + OD- + OT- = FeODOT+ + 2OH- -Fe(OH)2+ + OD- + [18O]H- = FeOD[18O]H+ + 2OH- -Fe(OH)2+ + OD- + [18O]D- = FeOD[18O]D+ + 2OH- -Fe(OH)2+ + OD- + [18O]T- = FeOD[18O]T+ + 2OH- -Fe(OH)2+ + OT- + OH- = FeOTOH+ + 2OH- -Fe(OH)2+ + OT- + OD- = FeOTOD+ + 2OH- -Fe(OH)2+ + OT- + [18O]H- = FeOT[18O]H+ + 2OH- -Fe(OH)2+ + OT- + [18O]D- = FeOT[18O]D+ + 2OH- -Fe(OH)2+ + [18O]H- + OH- = Fe[18O]HOH+ + 2OH- -Fe(OH)2+ + [18O]H- + OD- = Fe[18O]HOD+ + 2OH- -Fe(OH)2+ + [18O]H- + OT- = Fe[18O]HOT+ + 2OH- -Fe(OH)2+ + [18O]H- + [18O]H- = Fe[18O]H[18O]H+ + 2OH- -Fe(OH)2+ + [18O]H- + [18O]D- = Fe[18O]H[18O]D+ + 2OH- -Fe(OH)2+ + [18O]H- + [18O]T- = Fe[18O]H[18O]T+ + 2OH- -Fe(OH)2+ + [18O]D- + OH- = Fe[18O]DOH+ + 2OH- -Fe(OH)2+ + [18O]D- + OD- = Fe[18O]DOD+ + 2OH- -Fe(OH)2+ + [18O]D- + OT- = Fe[18O]DOT+ + 2OH- -Fe(OH)2+ + [18O]D- + [18O]H- = Fe[18O]D[18O]H+ + 2OH- -Fe(OH)2+ + [18O]D- + [18O]D- = Fe[18O]D[18O]D+ + 2OH- -Fe(OH)2+ + [18O]D- + [18O]T- = Fe[18O]D[18O]T+ + 2OH- -Fe(OH)2+ + [18O]T- + OH- = Fe[18O]TOH+ + 2OH- -Fe(OH)2+ + [18O]T- + OD- = Fe[18O]TOD+ + 2OH- -Fe(OH)2+ + [18O]T- + [18O]H- = Fe[18O]T[18O]H+ + 2OH- -Fe(OH)2+ + [18O]T- + [18O]D- = Fe[18O]T[18O]D+ + 2OH- +Fe(OH)2+ + OH- + OD- = FeOHOD+ + 2 OH- +Fe(OH)2+ + OH- + OT- = FeOHOT+ + 2 OH- +Fe(OH)2+ + OH- + [18O]H- = FeOH[18O]H+ + 2 OH- +Fe(OH)2+ + OH- + [18O]D- = FeOH[18O]D+ + 2 OH- +Fe(OH)2+ + OH- + [18O]T- = FeOH[18O]T+ + 2 OH- +Fe(OH)2+ + OD- + OH- = FeODOH+ + 2 OH- +Fe(OH)2+ + OD- + OD- = FeODOD+ + 2 OH- +Fe(OH)2+ + OD- + OT- = FeODOT+ + 2 OH- +Fe(OH)2+ + OD- + [18O]H- = FeOD[18O]H+ + 2 OH- +Fe(OH)2+ + OD- + [18O]D- = FeOD[18O]D+ + 2 OH- +Fe(OH)2+ + OD- + [18O]T- = FeOD[18O]T+ + 2 OH- +Fe(OH)2+ + OT- + OH- = FeOTOH+ + 2 OH- +Fe(OH)2+ + OT- + OD- = FeOTOD+ + 2 OH- +Fe(OH)2+ + OT- + [18O]H- = FeOT[18O]H+ + 2 OH- +Fe(OH)2+ + OT- + [18O]D- = FeOT[18O]D+ + 2 OH- +Fe(OH)2+ + [18O]H- + OH- = Fe[18O]HOH+ + 2 OH- +Fe(OH)2+ + [18O]H- + OD- = Fe[18O]HOD+ + 2 OH- +Fe(OH)2+ + [18O]H- + OT- = Fe[18O]HOT+ + 2 OH- +Fe(OH)2+ + [18O]H- + [18O]H- = Fe[18O]H[18O]H+ + 2 OH- +Fe(OH)2+ + [18O]H- + [18O]D- = Fe[18O]H[18O]D+ + 2 OH- +Fe(OH)2+ + [18O]H- + [18O]T- = Fe[18O]H[18O]T+ + 2 OH- +Fe(OH)2+ + [18O]D- + OH- = Fe[18O]DOH+ + 2 OH- +Fe(OH)2+ + [18O]D- + OD- = Fe[18O]DOD+ + 2 OH- +Fe(OH)2+ + [18O]D- + OT- = Fe[18O]DOT+ + 2 OH- +Fe(OH)2+ + [18O]D- + [18O]H- = Fe[18O]D[18O]H+ + 2 OH- +Fe(OH)2+ + [18O]D- + [18O]D- = Fe[18O]D[18O]D+ + 2 OH- +Fe(OH)2+ + [18O]D- + [18O]T- = Fe[18O]D[18O]T+ + 2 OH- +Fe(OH)2+ + [18O]T- + OH- = Fe[18O]TOH+ + 2 OH- +Fe(OH)2+ + [18O]T- + OD- = Fe[18O]TOD+ + 2 OH- +Fe(OH)2+ + [18O]T- + [18O]H- = Fe[18O]T[18O]H+ + 2 OH- +Fe(OH)2+ + [18O]T- + [18O]D- = Fe[18O]T[18O]D+ + 2 OH- # # Added Fe(OH)3 reactions 16Dec09 # Revised 17Dec09, limited the number of species # -Fe(OH)3 + OH- + OH- + OD- = FeOHOHOD + 3OH- -Fe(OH)3 + OH- + OH- + OT- = FeOHOHOT + 3OH- -Fe(OH)3 + OH- + OH- + [18O]H- = FeOHOH[18O]H + 3OH- -Fe(OH)3 + OH- + OH- + [18O]D- = FeOHOH[18O]D + 3OH- -Fe(OH)3 + OH- + OH- + [18O]T- = FeOHOH[18O]T + 3OH- -Fe(OH)3 + OH- + OD- + OH- = FeOHODOH + 3OH- -Fe(OH)3 + OH- + OD- + OD- = FeOHODOD + 3OH- -Fe(OH)3 + OH- + OD- + OT- = FeOHODOT + 3OH- -Fe(OH)3 + OH- + OD- + [18O]H- = FeOHOD[18O]H + 3OH- -Fe(OH)3 + OH- + OD- + [18O]D- = FeOHOD[18O]D + 3OH- -Fe(OH)3 + OH- + OD- + [18O]T- = FeOHOD[18O]T + 3OH- -Fe(OH)3 + OH- + OT- + OH- = FeOHOTOH + 3OH- -Fe(OH)3 + OH- + OT- + OD- = FeOHOTOD + 3OH- -Fe(OH)3 + OH- + OT- + [18O]H- = FeOHOT[18O]H + 3OH- -Fe(OH)3 + OH- + OT- + [18O]D- = FeOHOT[18O]D + 3OH- -Fe(OH)3 + OH- + [18O]H- + OH- = FeOH[18O]HOH + 3OH- -Fe(OH)3 + OH- + [18O]H- + OD- = FeOH[18O]HOD + 3OH- -Fe(OH)3 + OH- + [18O]H- + OT- = FeOH[18O]HOT + 3OH- -Fe(OH)3 + OH- + [18O]H- + [18O]H- = FeOH[18O]H[18O]H + 3OH- -Fe(OH)3 + OH- + [18O]H- + [18O]D- = FeOH[18O]H[18O]D + 3OH- -Fe(OH)3 + OH- + [18O]H- + [18O]T- = FeOH[18O]H[18O]T + 3OH- -Fe(OH)3 + OH- + [18O]D- + OH- = FeOH[18O]DOH + 3OH- -Fe(OH)3 + OH- + [18O]D- + OD- = FeOH[18O]DOD + 3OH- -Fe(OH)3 + OH- + [18O]D- + OT- = FeOH[18O]DOT + 3OH- -Fe(OH)3 + OH- + [18O]D- + [18O]H- = FeOH[18O]D[18O]H + 3OH- -Fe(OH)3 + OH- + [18O]D- + [18O]D- = FeOH[18O]D[18O]D + 3OH- -Fe(OH)3 + OH- + [18O]D- + [18O]T- = FeOH[18O]D[18O]T + 3OH- -Fe(OH)3 + OH- + [18O]T- + OH- = FeOH[18O]TOH + 3OH- -Fe(OH)3 + OH- + [18O]T- + OD- = FeOH[18O]TOD + 3OH- -Fe(OH)3 + OH- + [18O]T- + [18O]H- = FeOH[18O]T[18O]H + 3OH- -Fe(OH)3 + OH- + [18O]T- + [18O]D- = FeOH[18O]T[18O]D + 3OH- -Fe(OH)3 + OD- + OH- + OH- = FeODOHOH + 3OH- -Fe(OH)3 + OD- + OH- + OD- = FeODOHOD + 3OH- -Fe(OH)3 + OD- + OH- + OT- = FeODOHOT + 3OH- -Fe(OH)3 + OD- + OH- + [18O]H- = FeODOH[18O]H + 3OH- -Fe(OH)3 + OD- + OH- + [18O]D- = FeODOH[18O]D + 3OH- -Fe(OH)3 + OD- + OH- + [18O]T- = FeODOH[18O]T + 3OH- -Fe(OH)3 + OD- + OD- + OH- = FeODODOH + 3OH- -Fe(OH)3 + OD- + OD- + OT- = FeODODOT + 3OH- -Fe(OH)3 + OD- + OD- + [18O]H- = FeODOD[18O]H + 3OH- -Fe(OH)3 + OD- + OD- + [18O]T- = FeODOD[18O]T + 3OH- -Fe(OH)3 + OD- + OT- + OH- = FeODOTOH + 3OH- -Fe(OH)3 + OD- + OT- + OD- = FeODOTOD + 3OH- -Fe(OH)3 + OD- + OT- + [18O]H- = FeODOT[18O]H + 3OH- -Fe(OH)3 + OD- + OT- + [18O]D- = FeODOT[18O]D + 3OH- -Fe(OH)3 + OD- + [18O]H- + OH- = FeOD[18O]HOH + 3OH- -Fe(OH)3 + OD- + [18O]H- + OD- = FeOD[18O]HOD + 3OH- -Fe(OH)3 + OD- + [18O]H- + OT- = FeOD[18O]HOT + 3OH- -Fe(OH)3 + OD- + [18O]H- + [18O]H- = FeOD[18O]H[18O]H + 3OH- -Fe(OH)3 + OD- + [18O]H- + [18O]D- = FeOD[18O]H[18O]D + 3OH- -Fe(OH)3 + OD- + [18O]H- + [18O]T- = FeOD[18O]H[18O]T + 3OH- -Fe(OH)3 + OD- + [18O]D- + OH- = FeOD[18O]DOH + 3OH- -Fe(OH)3 + OD- + [18O]D- + OT- = FeOD[18O]DOT + 3OH- -Fe(OH)3 + OD- + [18O]D- + [18O]H- = FeOD[18O]D[18O]H + 3OH- -Fe(OH)3 + OD- + [18O]T- + OH- = FeOD[18O]TOH + 3OH- -Fe(OH)3 + OD- + [18O]T- + OD- = FeOD[18O]TOD + 3OH- -Fe(OH)3 + OD- + [18O]T- + [18O]H- = FeOD[18O]T[18O]H + 3OH- -Fe(OH)3 + OT- + OH- + OH- = FeOTOHOH + 3OH- -Fe(OH)3 + OT- + OH- + OD- = FeOTOHOD + 3OH- -Fe(OH)3 + OT- + OH- + [18O]H- = FeOTOH[18O]H + 3OH- -Fe(OH)3 + OT- + OH- + [18O]D- = FeOTOH[18O]D + 3OH- -Fe(OH)3 + OT- + OD- + OH- = FeOTODOH + 3OH- -Fe(OH)3 + OT- + OD- + OD- = FeOTODOD + 3OH- -Fe(OH)3 + OT- + OD- + [18O]H- = FeOTOD[18O]H + 3OH- -Fe(OH)3 + OT- + OD- + [18O]D- = FeOTOD[18O]D + 3OH- -Fe(OH)3 + OT- + [18O]H- + OH- = FeOT[18O]HOH + 3OH- -Fe(OH)3 + OT- + [18O]H- + OD- = FeOT[18O]HOD + 3OH- -Fe(OH)3 + OT- + [18O]H- + [18O]H- = FeOT[18O]H[18O]H + 3OH- -Fe(OH)3 + OT- + [18O]H- + [18O]D- = FeOT[18O]H[18O]D + 3OH- -Fe(OH)3 + OT- + [18O]D- + OH- = FeOT[18O]DOH + 3OH- -Fe(OH)3 + OT- + [18O]D- + OD- = FeOT[18O]DOD + 3OH- -Fe(OH)3 + OT- + [18O]D- + [18O]H- = FeOT[18O]D[18O]H + 3OH- -Fe(OH)3 + [18O]H- + OH- + OH- = Fe[18O]HOHOH + 3OH- -Fe(OH)3 + [18O]H- + OH- + OD- = Fe[18O]HOHOD + 3OH- -Fe(OH)3 + [18O]H- + OH- + OT- = Fe[18O]HOHOT + 3OH- -Fe(OH)3 + [18O]H- + OH- + [18O]H- = Fe[18O]HOH[18O]H + 3OH- -Fe(OH)3 + [18O]H- + OH- + [18O]D- = Fe[18O]HOH[18O]D + 3OH- -Fe(OH)3 + [18O]H- + OH- + [18O]T- = Fe[18O]HOH[18O]T + 3OH- -Fe(OH)3 + [18O]H- + OD- + OH- = Fe[18O]HODOH + 3OH- -Fe(OH)3 + [18O]H- + OD- + OD- = Fe[18O]HODOD + 3OH- -Fe(OH)3 + [18O]H- + OD- + OT- = Fe[18O]HODOT + 3OH- -Fe(OH)3 + [18O]H- + OD- + [18O]H- = Fe[18O]HOD[18O]H + 3OH- -Fe(OH)3 + [18O]H- + OD- + [18O]D- = Fe[18O]HOD[18O]D + 3OH- -Fe(OH)3 + [18O]H- + OD- + [18O]T- = Fe[18O]HOD[18O]T + 3OH- -Fe(OH)3 + [18O]H- + OT- + OH- = Fe[18O]HOTOH + 3OH- -Fe(OH)3 + [18O]H- + OT- + OD- = Fe[18O]HOTOD + 3OH- -Fe(OH)3 + [18O]H- + OT- + [18O]H- = Fe[18O]HOT[18O]H + 3OH- -Fe(OH)3 + [18O]H- + OT- + [18O]D- = Fe[18O]HOT[18O]D + 3OH- -Fe(OH)3 + [18O]H- + [18O]H- + OH- = Fe[18O]H[18O]HOH + 3OH- -Fe(OH)3 + [18O]H- + [18O]H- + OD- = Fe[18O]H[18O]HOD + 3OH- -Fe(OH)3 + [18O]H- + [18O]H- + OT- = Fe[18O]H[18O]HOT + 3OH- -Fe(OH)3 + [18O]H- + [18O]D- + OH- = Fe[18O]H[18O]DOH + 3OH- -Fe(OH)3 + [18O]H- + [18O]D- + OD- = Fe[18O]H[18O]DOD + 3OH- -Fe(OH)3 + [18O]H- + [18O]D- + OT- = Fe[18O]H[18O]DOT + 3OH- -Fe(OH)3 + [18O]H- + [18O]T- + OH- = Fe[18O]H[18O]TOH + 3OH- -Fe(OH)3 + [18O]H- + [18O]T- + OD- = Fe[18O]H[18O]TOD + 3OH- -Fe(OH)3 + [18O]D- + OH- + OH- = Fe[18O]DOHOH + 3OH- -Fe(OH)3 + [18O]D- + OH- + OD- = Fe[18O]DOHOD + 3OH- -Fe(OH)3 + [18O]D- + OH- + OT- = Fe[18O]DOHOT + 3OH- -Fe(OH)3 + [18O]D- + OH- + [18O]H- = Fe[18O]DOH[18O]H + 3OH- -Fe(OH)3 + [18O]D- + OH- + [18O]D- = Fe[18O]DOH[18O]D + 3OH- -Fe(OH)3 + [18O]D- + OH- + [18O]T- = Fe[18O]DOH[18O]T + 3OH- -Fe(OH)3 + [18O]D- + OD- + OH- = Fe[18O]DODOH + 3OH- -Fe(OH)3 + [18O]D- + OD- + OT- = Fe[18O]DODOT + 3OH- -Fe(OH)3 + [18O]D- + OD- + [18O]H- = Fe[18O]DOD[18O]H + 3OH- -Fe(OH)3 + [18O]D- + OT- + OH- = Fe[18O]DOTOH + 3OH- -Fe(OH)3 + [18O]D- + OT- + OD- = Fe[18O]DOTOD + 3OH- -Fe(OH)3 + [18O]D- + OT- + [18O]H- = Fe[18O]DOT[18O]H + 3OH- -Fe(OH)3 + [18O]D- + [18O]H- + OH- = Fe[18O]D[18O]HOH + 3OH- -Fe(OH)3 + [18O]D- + [18O]H- + OD- = Fe[18O]D[18O]HOD + 3OH- -Fe(OH)3 + [18O]D- + [18O]H- + OT- = Fe[18O]D[18O]HOT + 3OH- -Fe(OH)3 + [18O]D- + [18O]D- + OH- = Fe[18O]D[18O]DOH + 3OH- -Fe(OH)3 + [18O]D- + [18O]T- + OH- = Fe[18O]D[18O]TOH + 3OH- -Fe(OH)3 + [18O]T- + OH- + OH- = Fe[18O]TOHOH + 3OH- -Fe(OH)3 + [18O]T- + OH- + OD- = Fe[18O]TOHOD + 3OH- -Fe(OH)3 + [18O]T- + OH- + [18O]H- = Fe[18O]TOH[18O]H + 3OH- -Fe(OH)3 + [18O]T- + OH- + [18O]D- = Fe[18O]TOH[18O]D + 3OH- -Fe(OH)3 + [18O]T- + OD- + OH- = Fe[18O]TODOH + 3OH- -Fe(OH)3 + [18O]T- + OD- + OD- = Fe[18O]TODOD + 3OH- -Fe(OH)3 + [18O]T- + OD- + [18O]H- = Fe[18O]TOD[18O]H + 3OH- -Fe(OH)3 + [18O]T- + [18O]H- + OH- = Fe[18O]T[18O]HOH + 3OH- -Fe(OH)3 + [18O]T- + [18O]H- + OD- = Fe[18O]T[18O]HOD + 3OH- -Fe(OH)3 + [18O]T- + [18O]D- + OH- = Fe[18O]T[18O]DOH + 3OH- +Fe(OH)3 + OH- + OH- + OD- = FeOHOHOD + 3 OH- +Fe(OH)3 + OH- + OH- + OT- = FeOHOHOT + 3 OH- +Fe(OH)3 + OH- + OH- + [18O]H- = FeOHOH[18O]H + 3 OH- +Fe(OH)3 + OH- + OH- + [18O]D- = FeOHOH[18O]D + 3 OH- +Fe(OH)3 + OH- + OH- + [18O]T- = FeOHOH[18O]T + 3 OH- +Fe(OH)3 + OH- + OD- + OH- = FeOHODOH + 3 OH- +Fe(OH)3 + OH- + OD- + OD- = FeOHODOD + 3 OH- +Fe(OH)3 + OH- + OD- + OT- = FeOHODOT + 3 OH- +Fe(OH)3 + OH- + OD- + [18O]H- = FeOHOD[18O]H + 3 OH- +Fe(OH)3 + OH- + OD- + [18O]D- = FeOHOD[18O]D + 3 OH- +Fe(OH)3 + OH- + OD- + [18O]T- = FeOHOD[18O]T + 3 OH- +Fe(OH)3 + OH- + OT- + OH- = FeOHOTOH + 3 OH- +Fe(OH)3 + OH- + OT- + OD- = FeOHOTOD + 3 OH- +Fe(OH)3 + OH- + OT- + [18O]H- = FeOHOT[18O]H + 3 OH- +Fe(OH)3 + OH- + OT- + [18O]D- = FeOHOT[18O]D + 3 OH- +Fe(OH)3 + OH- + [18O]H- + OH- = FeOH[18O]HOH + 3 OH- +Fe(OH)3 + OH- + [18O]H- + OD- = FeOH[18O]HOD + 3 OH- +Fe(OH)3 + OH- + [18O]H- + OT- = FeOH[18O]HOT + 3 OH- +Fe(OH)3 + OH- + [18O]H- + [18O]H- = FeOH[18O]H[18O]H + 3 OH- +Fe(OH)3 + OH- + [18O]H- + [18O]D- = FeOH[18O]H[18O]D + 3 OH- +Fe(OH)3 + OH- + [18O]H- + [18O]T- = FeOH[18O]H[18O]T + 3 OH- +Fe(OH)3 + OH- + [18O]D- + OH- = FeOH[18O]DOH + 3 OH- +Fe(OH)3 + OH- + [18O]D- + OD- = FeOH[18O]DOD + 3 OH- +Fe(OH)3 + OH- + [18O]D- + OT- = FeOH[18O]DOT + 3 OH- +Fe(OH)3 + OH- + [18O]D- + [18O]H- = FeOH[18O]D[18O]H + 3 OH- +Fe(OH)3 + OH- + [18O]D- + [18O]D- = FeOH[18O]D[18O]D + 3 OH- +Fe(OH)3 + OH- + [18O]D- + [18O]T- = FeOH[18O]D[18O]T + 3 OH- +Fe(OH)3 + OH- + [18O]T- + OH- = FeOH[18O]TOH + 3 OH- +Fe(OH)3 + OH- + [18O]T- + OD- = FeOH[18O]TOD + 3 OH- +Fe(OH)3 + OH- + [18O]T- + [18O]H- = FeOH[18O]T[18O]H + 3 OH- +Fe(OH)3 + OH- + [18O]T- + [18O]D- = FeOH[18O]T[18O]D + 3 OH- +Fe(OH)3 + OD- + OH- + OH- = FeODOHOH + 3 OH- +Fe(OH)3 + OD- + OH- + OD- = FeODOHOD + 3 OH- +Fe(OH)3 + OD- + OH- + OT- = FeODOHOT + 3 OH- +Fe(OH)3 + OD- + OH- + [18O]H- = FeODOH[18O]H + 3 OH- +Fe(OH)3 + OD- + OH- + [18O]D- = FeODOH[18O]D + 3 OH- +Fe(OH)3 + OD- + OH- + [18O]T- = FeODOH[18O]T + 3 OH- +Fe(OH)3 + OD- + OD- + OH- = FeODODOH + 3 OH- +Fe(OH)3 + OD- + OD- + OT- = FeODODOT + 3 OH- +Fe(OH)3 + OD- + OD- + [18O]H- = FeODOD[18O]H + 3 OH- +Fe(OH)3 + OD- + OD- + [18O]T- = FeODOD[18O]T + 3 OH- +Fe(OH)3 + OD- + OT- + OH- = FeODOTOH + 3 OH- +Fe(OH)3 + OD- + OT- + OD- = FeODOTOD + 3 OH- +Fe(OH)3 + OD- + OT- + [18O]H- = FeODOT[18O]H + 3 OH- +Fe(OH)3 + OD- + OT- + [18O]D- = FeODOT[18O]D + 3 OH- +Fe(OH)3 + OD- + [18O]H- + OH- = FeOD[18O]HOH + 3 OH- +Fe(OH)3 + OD- + [18O]H- + OD- = FeOD[18O]HOD + 3 OH- +Fe(OH)3 + OD- + [18O]H- + OT- = FeOD[18O]HOT + 3 OH- +Fe(OH)3 + OD- + [18O]H- + [18O]H- = FeOD[18O]H[18O]H + 3 OH- +Fe(OH)3 + OD- + [18O]H- + [18O]D- = FeOD[18O]H[18O]D + 3 OH- +Fe(OH)3 + OD- + [18O]H- + [18O]T- = FeOD[18O]H[18O]T + 3 OH- +Fe(OH)3 + OD- + [18O]D- + OH- = FeOD[18O]DOH + 3 OH- +Fe(OH)3 + OD- + [18O]D- + OT- = FeOD[18O]DOT + 3 OH- +Fe(OH)3 + OD- + [18O]D- + [18O]H- = FeOD[18O]D[18O]H + 3 OH- +Fe(OH)3 + OD- + [18O]T- + OH- = FeOD[18O]TOH + 3 OH- +Fe(OH)3 + OD- + [18O]T- + OD- = FeOD[18O]TOD + 3 OH- +Fe(OH)3 + OD- + [18O]T- + [18O]H- = FeOD[18O]T[18O]H + 3 OH- +Fe(OH)3 + OT- + OH- + OH- = FeOTOHOH + 3 OH- +Fe(OH)3 + OT- + OH- + OD- = FeOTOHOD + 3 OH- +Fe(OH)3 + OT- + OH- + [18O]H- = FeOTOH[18O]H + 3 OH- +Fe(OH)3 + OT- + OH- + [18O]D- = FeOTOH[18O]D + 3 OH- +Fe(OH)3 + OT- + OD- + OH- = FeOTODOH + 3 OH- +Fe(OH)3 + OT- + OD- + OD- = FeOTODOD + 3 OH- +Fe(OH)3 + OT- + OD- + [18O]H- = FeOTOD[18O]H + 3 OH- +Fe(OH)3 + OT- + OD- + [18O]D- = FeOTOD[18O]D + 3 OH- +Fe(OH)3 + OT- + [18O]H- + OH- = FeOT[18O]HOH + 3 OH- +Fe(OH)3 + OT- + [18O]H- + OD- = FeOT[18O]HOD + 3 OH- +Fe(OH)3 + OT- + [18O]H- + [18O]H- = FeOT[18O]H[18O]H + 3 OH- +Fe(OH)3 + OT- + [18O]H- + [18O]D- = FeOT[18O]H[18O]D + 3 OH- +Fe(OH)3 + OT- + [18O]D- + OH- = FeOT[18O]DOH + 3 OH- +Fe(OH)3 + OT- + [18O]D- + OD- = FeOT[18O]DOD + 3 OH- +Fe(OH)3 + OT- + [18O]D- + [18O]H- = FeOT[18O]D[18O]H + 3 OH- +Fe(OH)3 + [18O]H- + OH- + OH- = Fe[18O]HOHOH + 3 OH- +Fe(OH)3 + [18O]H- + OH- + OD- = Fe[18O]HOHOD + 3 OH- +Fe(OH)3 + [18O]H- + OH- + OT- = Fe[18O]HOHOT + 3 OH- +Fe(OH)3 + [18O]H- + OH- + [18O]H- = Fe[18O]HOH[18O]H + 3 OH- +Fe(OH)3 + [18O]H- + OH- + [18O]D- = Fe[18O]HOH[18O]D + 3 OH- +Fe(OH)3 + [18O]H- + OH- + [18O]T- = Fe[18O]HOH[18O]T + 3 OH- +Fe(OH)3 + [18O]H- + OD- + OH- = Fe[18O]HODOH + 3 OH- +Fe(OH)3 + [18O]H- + OD- + OD- = Fe[18O]HODOD + 3 OH- +Fe(OH)3 + [18O]H- + OD- + OT- = Fe[18O]HODOT + 3 OH- +Fe(OH)3 + [18O]H- + OD- + [18O]H- = Fe[18O]HOD[18O]H + 3 OH- +Fe(OH)3 + [18O]H- + OD- + [18O]D- = Fe[18O]HOD[18O]D + 3 OH- +Fe(OH)3 + [18O]H- + OD- + [18O]T- = Fe[18O]HOD[18O]T + 3 OH- +Fe(OH)3 + [18O]H- + OT- + OH- = Fe[18O]HOTOH + 3 OH- +Fe(OH)3 + [18O]H- + OT- + OD- = Fe[18O]HOTOD + 3 OH- +Fe(OH)3 + [18O]H- + OT- + [18O]H- = Fe[18O]HOT[18O]H + 3 OH- +Fe(OH)3 + [18O]H- + OT- + [18O]D- = Fe[18O]HOT[18O]D + 3 OH- +Fe(OH)3 + [18O]H- + [18O]H- + OH- = Fe[18O]H[18O]HOH + 3 OH- +Fe(OH)3 + [18O]H- + [18O]H- + OD- = Fe[18O]H[18O]HOD + 3 OH- +Fe(OH)3 + [18O]H- + [18O]H- + OT- = Fe[18O]H[18O]HOT + 3 OH- +Fe(OH)3 + [18O]H- + [18O]D- + OH- = Fe[18O]H[18O]DOH + 3 OH- +Fe(OH)3 + [18O]H- + [18O]D- + OD- = Fe[18O]H[18O]DOD + 3 OH- +Fe(OH)3 + [18O]H- + [18O]D- + OT- = Fe[18O]H[18O]DOT + 3 OH- +Fe(OH)3 + [18O]H- + [18O]T- + OH- = Fe[18O]H[18O]TOH + 3 OH- +Fe(OH)3 + [18O]H- + [18O]T- + OD- = Fe[18O]H[18O]TOD + 3 OH- +Fe(OH)3 + [18O]D- + OH- + OH- = Fe[18O]DOHOH + 3 OH- +Fe(OH)3 + [18O]D- + OH- + OD- = Fe[18O]DOHOD + 3 OH- +Fe(OH)3 + [18O]D- + OH- + OT- = Fe[18O]DOHOT + 3 OH- +Fe(OH)3 + [18O]D- + OH- + [18O]H- = Fe[18O]DOH[18O]H + 3 OH- +Fe(OH)3 + [18O]D- + OH- + [18O]D- = Fe[18O]DOH[18O]D + 3 OH- +Fe(OH)3 + [18O]D- + OH- + [18O]T- = Fe[18O]DOH[18O]T + 3 OH- +Fe(OH)3 + [18O]D- + OD- + OH- = Fe[18O]DODOH + 3 OH- +Fe(OH)3 + [18O]D- + OD- + OT- = Fe[18O]DODOT + 3 OH- +Fe(OH)3 + [18O]D- + OD- + [18O]H- = Fe[18O]DOD[18O]H + 3 OH- +Fe(OH)3 + [18O]D- + OT- + OH- = Fe[18O]DOTOH + 3 OH- +Fe(OH)3 + [18O]D- + OT- + OD- = Fe[18O]DOTOD + 3 OH- +Fe(OH)3 + [18O]D- + OT- + [18O]H- = Fe[18O]DOT[18O]H + 3 OH- +Fe(OH)3 + [18O]D- + [18O]H- + OH- = Fe[18O]D[18O]HOH + 3 OH- +Fe(OH)3 + [18O]D- + [18O]H- + OD- = Fe[18O]D[18O]HOD + 3 OH- +Fe(OH)3 + [18O]D- + [18O]H- + OT- = Fe[18O]D[18O]HOT + 3 OH- +Fe(OH)3 + [18O]D- + [18O]D- + OH- = Fe[18O]D[18O]DOH + 3 OH- +Fe(OH)3 + [18O]D- + [18O]T- + OH- = Fe[18O]D[18O]TOH + 3 OH- +Fe(OH)3 + [18O]T- + OH- + OH- = Fe[18O]TOHOH + 3 OH- +Fe(OH)3 + [18O]T- + OH- + OD- = Fe[18O]TOHOD + 3 OH- +Fe(OH)3 + [18O]T- + OH- + [18O]H- = Fe[18O]TOH[18O]H + 3 OH- +Fe(OH)3 + [18O]T- + OH- + [18O]D- = Fe[18O]TOH[18O]D + 3 OH- +Fe(OH)3 + [18O]T- + OD- + OH- = Fe[18O]TODOH + 3 OH- +Fe(OH)3 + [18O]T- + OD- + OD- = Fe[18O]TODOD + 3 OH- +Fe(OH)3 + [18O]T- + OD- + [18O]H- = Fe[18O]TOD[18O]H + 3 OH- +Fe(OH)3 + [18O]T- + [18O]H- + OH- = Fe[18O]T[18O]HOH + 3 OH- +Fe(OH)3 + [18O]T- + [18O]H- + OD- = Fe[18O]T[18O]HOD + 3 OH- +Fe(OH)3 + [18O]T- + [18O]D- + OH- = Fe[18O]T[18O]DOH + 3 OH- # # Added Fe(OH)4- reactions 16Dec09 # Revised 17Dec09, limited the number of species # -Fe(OH)4- + OH- + OH- + OH- + OD- = FeOHOHOHOD- + 4OH- -Fe(OH)4- + OH- + OH- + OH- + OT- = FeOHOHOHOT- + 4OH- -Fe(OH)4- + OH- + OH- + OH- + [18O]H- = FeOHOHOH[18O]H- + 4OH- -Fe(OH)4- + OH- + OH- + OH- + [18O]D- = FeOHOHOH[18O]D- + 4OH- -Fe(OH)4- + OH- + OH- + OH- + [18O]T- = FeOHOHOH[18O]T- + 4OH- -Fe(OH)4- + OH- + OH- + OD- + OH- = FeOHOHODOH- + 4OH- -Fe(OH)4- + OH- + OH- + OD- + OD- = FeOHOHODOD- + 4OH- -Fe(OH)4- + OH- + OH- + OD- + OT- = FeOHOHODOT- + 4OH- -Fe(OH)4- + OH- + OH- + OD- + [18O]H- = FeOHOHOD[18O]H- + 4OH- -Fe(OH)4- + OH- + OH- + OD- + [18O]D- = FeOHOHOD[18O]D- + 4OH- -Fe(OH)4- + OH- + OH- + OD- + [18O]T- = FeOHOHOD[18O]T- + 4OH- -Fe(OH)4- + OH- + OH- + OT- + OH- = FeOHOHOTOH- + 4OH- -Fe(OH)4- + OH- + OH- + OT- + OD- = FeOHOHOTOD- + 4OH- -Fe(OH)4- + OH- + OH- + OT- + [18O]H- = FeOHOHOT[18O]H- + 4OH- -Fe(OH)4- + OH- + OH- + OT- + [18O]D- = FeOHOHOT[18O]D- + 4OH- -Fe(OH)4- + OH- + OH- + [18O]H- + OH- = FeOHOH[18O]HOH- + 4OH- -Fe(OH)4- + OH- + OH- + [18O]H- + OD- = FeOHOH[18O]HOD- + 4OH- -Fe(OH)4- + OH- + OH- + [18O]H- + OT- = FeOHOH[18O]HOT- + 4OH- -Fe(OH)4- + OH- + OH- + [18O]H- + [18O]H- = FeOHOH[18O]H[18O]H- + 4OH- -Fe(OH)4- + OH- + OH- + [18O]H- + [18O]D- = FeOHOH[18O]H[18O]D- + 4OH- -Fe(OH)4- + OH- + OH- + [18O]H- + [18O]T- = FeOHOH[18O]H[18O]T- + 4OH- -Fe(OH)4- + OH- + OH- + [18O]D- + OH- = FeOHOH[18O]DOH- + 4OH- -Fe(OH)4- + OH- + OH- + [18O]D- + OD- = FeOHOH[18O]DOD- + 4OH- -Fe(OH)4- + OH- + OH- + [18O]D- + OT- = FeOHOH[18O]DOT- + 4OH- -Fe(OH)4- + OH- + OH- + [18O]D- + [18O]H- = FeOHOH[18O]D[18O]H- + 4OH- -Fe(OH)4- + OH- + OH- + [18O]D- + [18O]D- = FeOHOH[18O]D[18O]D- + 4OH- -Fe(OH)4- + OH- + OH- + [18O]D- + [18O]T- = FeOHOH[18O]D[18O]T- + 4OH- -Fe(OH)4- + OH- + OH- + [18O]T- + OH- = FeOHOH[18O]TOH- + 4OH- -Fe(OH)4- + OH- + OH- + [18O]T- + OD- = FeOHOH[18O]TOD- + 4OH- -Fe(OH)4- + OH- + OH- + [18O]T- + [18O]H- = FeOHOH[18O]T[18O]H- + 4OH- -Fe(OH)4- + OH- + OH- + [18O]T- + [18O]D- = FeOHOH[18O]T[18O]D- + 4OH- -Fe(OH)4- + OH- + OD- + OH- + OH- = FeOHODOHOH- + 4OH- -Fe(OH)4- + OH- + OD- + OH- + OD- = FeOHODOHOD- + 4OH- -Fe(OH)4- + OH- + OD- + OH- + OT- = FeOHODOHOT- + 4OH- -Fe(OH)4- + OH- + OD- + OH- + [18O]H- = FeOHODOH[18O]H- + 4OH- -Fe(OH)4- + OH- + OD- + OH- + [18O]D- = FeOHODOH[18O]D- + 4OH- -Fe(OH)4- + OH- + OD- + OH- + [18O]T- = FeOHODOH[18O]T- + 4OH- -Fe(OH)4- + OH- + OD- + OD- + OH- = FeOHODODOH- + 4OH- -Fe(OH)4- + OH- + OD- + OD- + OT- = FeOHODODOT- + 4OH- -Fe(OH)4- + OH- + OD- + OD- + [18O]H- = FeOHODOD[18O]H- + 4OH- -Fe(OH)4- + OH- + OD- + OD- + [18O]T- = FeOHODOD[18O]T- + 4OH- -Fe(OH)4- + OH- + OD- + OT- + OH- = FeOHODOTOH- + 4OH- -Fe(OH)4- + OH- + OD- + OT- + OD- = FeOHODOTOD- + 4OH- -Fe(OH)4- + OH- + OD- + OT- + [18O]H- = FeOHODOT[18O]H- + 4OH- -Fe(OH)4- + OH- + OD- + OT- + [18O]D- = FeOHODOT[18O]D- + 4OH- -Fe(OH)4- + OH- + OD- + [18O]H- + OH- = FeOHOD[18O]HOH- + 4OH- -Fe(OH)4- + OH- + OD- + [18O]H- + OD- = FeOHOD[18O]HOD- + 4OH- -Fe(OH)4- + OH- + OD- + [18O]H- + OT- = FeOHOD[18O]HOT- + 4OH- -Fe(OH)4- + OH- + OD- + [18O]H- + [18O]H- = FeOHOD[18O]H[18O]H- + 4OH- -Fe(OH)4- + OH- + OD- + [18O]H- + [18O]D- = FeOHOD[18O]H[18O]D- + 4OH- -Fe(OH)4- + OH- + OD- + [18O]H- + [18O]T- = FeOHOD[18O]H[18O]T- + 4OH- -Fe(OH)4- + OH- + OD- + [18O]D- + OH- = FeOHOD[18O]DOH- + 4OH- -Fe(OH)4- + OH- + OD- + [18O]D- + OT- = FeOHOD[18O]DOT- + 4OH- -Fe(OH)4- + OH- + OD- + [18O]D- + [18O]H- = FeOHOD[18O]D[18O]H- + 4OH- -Fe(OH)4- + OH- + OD- + [18O]T- + OH- = FeOHOD[18O]TOH- + 4OH- -Fe(OH)4- + OH- + OD- + [18O]T- + OD- = FeOHOD[18O]TOD- + 4OH- -Fe(OH)4- + OH- + OD- + [18O]T- + [18O]H- = FeOHOD[18O]T[18O]H- + 4OH- -Fe(OH)4- + OH- + OT- + OH- + OH- = FeOHOTOHOH- + 4OH- -Fe(OH)4- + OH- + OT- + OH- + OD- = FeOHOTOHOD- + 4OH- -Fe(OH)4- + OH- + OT- + OH- + [18O]H- = FeOHOTOH[18O]H- + 4OH- -Fe(OH)4- + OH- + OT- + OH- + [18O]D- = FeOHOTOH[18O]D- + 4OH- -Fe(OH)4- + OH- + OT- + OD- + OH- = FeOHOTODOH- + 4OH- -Fe(OH)4- + OH- + OT- + OD- + OD- = FeOHOTODOD- + 4OH- -Fe(OH)4- + OH- + OT- + OD- + [18O]H- = FeOHOTOD[18O]H- + 4OH- -Fe(OH)4- + OH- + OT- + OD- + [18O]D- = FeOHOTOD[18O]D- + 4OH- -Fe(OH)4- + OH- + OT- + [18O]H- + OH- = FeOHOT[18O]HOH- + 4OH- -Fe(OH)4- + OH- + OT- + [18O]H- + OD- = FeOHOT[18O]HOD- + 4OH- -Fe(OH)4- + OH- + OT- + [18O]H- + [18O]H- = FeOHOT[18O]H[18O]H- + 4OH- -Fe(OH)4- + OH- + OT- + [18O]H- + [18O]D- = FeOHOT[18O]H[18O]D- + 4OH- -Fe(OH)4- + OH- + OT- + [18O]D- + OH- = FeOHOT[18O]DOH- + 4OH- -Fe(OH)4- + OH- + OT- + [18O]D- + OD- = FeOHOT[18O]DOD- + 4OH- -Fe(OH)4- + OH- + OT- + [18O]D- + [18O]H- = FeOHOT[18O]D[18O]H- + 4OH- -Fe(OH)4- + OH- + [18O]H- + OH- + OH- = FeOH[18O]HOHOH- + 4OH- -Fe(OH)4- + OH- + [18O]H- + OH- + OD- = FeOH[18O]HOHOD- + 4OH- -Fe(OH)4- + OH- + [18O]H- + OH- + OT- = FeOH[18O]HOHOT- + 4OH- -Fe(OH)4- + OH- + [18O]H- + OH- + [18O]H- = FeOH[18O]HOH[18O]H- + 4OH- -Fe(OH)4- + OH- + [18O]H- + OH- + [18O]D- = FeOH[18O]HOH[18O]D- + 4OH- -Fe(OH)4- + OH- + [18O]H- + OH- + [18O]T- = FeOH[18O]HOH[18O]T- + 4OH- -Fe(OH)4- + OH- + [18O]H- + OD- + OH- = FeOH[18O]HODOH- + 4OH- -Fe(OH)4- + OH- + [18O]H- + OD- + OD- = FeOH[18O]HODOD- + 4OH- -Fe(OH)4- + OH- + [18O]H- + OD- + OT- = FeOH[18O]HODOT- + 4OH- -Fe(OH)4- + OH- + [18O]H- + OD- + [18O]H- = FeOH[18O]HOD[18O]H- + 4OH- -Fe(OH)4- + OH- + [18O]H- + OD- + [18O]D- = FeOH[18O]HOD[18O]D- + 4OH- -Fe(OH)4- + OH- + [18O]H- + OD- + [18O]T- = FeOH[18O]HOD[18O]T- + 4OH- -Fe(OH)4- + OH- + [18O]H- + OT- + OH- = FeOH[18O]HOTOH- + 4OH- -Fe(OH)4- + OH- + [18O]H- + OT- + OD- = FeOH[18O]HOTOD- + 4OH- -Fe(OH)4- + OH- + [18O]H- + OT- + [18O]H- = FeOH[18O]HOT[18O]H- + 4OH- -Fe(OH)4- + OH- + [18O]H- + OT- + [18O]D- = FeOH[18O]HOT[18O]D- + 4OH- -Fe(OH)4- + OH- + [18O]H- + [18O]H- + OH- = FeOH[18O]H[18O]HOH- + 4OH- -Fe(OH)4- + OH- + [18O]H- + [18O]H- + OD- = FeOH[18O]H[18O]HOD- + 4OH- -Fe(OH)4- + OH- + [18O]H- + [18O]H- + OT- = FeOH[18O]H[18O]HOT- + 4OH- -Fe(OH)4- + OH- + [18O]H- + [18O]D- + OH- = FeOH[18O]H[18O]DOH- + 4OH- -Fe(OH)4- + OH- + [18O]H- + [18O]D- + OD- = FeOH[18O]H[18O]DOD- + 4OH- -Fe(OH)4- + OH- + [18O]H- + [18O]D- + OT- = FeOH[18O]H[18O]DOT- + 4OH- -Fe(OH)4- + OH- + [18O]H- + [18O]T- + OH- = FeOH[18O]H[18O]TOH- + 4OH- -Fe(OH)4- + OH- + [18O]H- + [18O]T- + OD- = FeOH[18O]H[18O]TOD- + 4OH- -Fe(OH)4- + OH- + [18O]D- + OH- + OH- = FeOH[18O]DOHOH- + 4OH- -Fe(OH)4- + OH- + [18O]D- + OH- + OD- = FeOH[18O]DOHOD- + 4OH- -Fe(OH)4- + OH- + [18O]D- + OH- + OT- = FeOH[18O]DOHOT- + 4OH- -Fe(OH)4- + OH- + [18O]D- + OH- + [18O]H- = FeOH[18O]DOH[18O]H- + 4OH- -Fe(OH)4- + OH- + [18O]D- + OH- + [18O]D- = FeOH[18O]DOH[18O]D- + 4OH- -Fe(OH)4- + OH- + [18O]D- + OH- + [18O]T- = FeOH[18O]DOH[18O]T- + 4OH- -Fe(OH)4- + OH- + [18O]D- + OD- + OH- = FeOH[18O]DODOH- + 4OH- -Fe(OH)4- + OH- + [18O]D- + OD- + OT- = FeOH[18O]DODOT- + 4OH- -Fe(OH)4- + OH- + [18O]D- + OD- + [18O]H- = FeOH[18O]DOD[18O]H- + 4OH- -Fe(OH)4- + OH- + [18O]D- + OT- + OH- = FeOH[18O]DOTOH- + 4OH- -Fe(OH)4- + OH- + [18O]D- + OT- + OD- = FeOH[18O]DOTOD- + 4OH- -Fe(OH)4- + OH- + [18O]D- + OT- + [18O]H- = FeOH[18O]DOT[18O]H- + 4OH- -Fe(OH)4- + OH- + [18O]D- + [18O]H- + OH- = FeOH[18O]D[18O]HOH- + 4OH- -Fe(OH)4- + OH- + [18O]D- + [18O]H- + OD- = FeOH[18O]D[18O]HOD- + 4OH- -Fe(OH)4- + OH- + [18O]D- + [18O]H- + OT- = FeOH[18O]D[18O]HOT- + 4OH- -Fe(OH)4- + OH- + [18O]D- + [18O]D- + OH- = FeOH[18O]D[18O]DOH- + 4OH- -Fe(OH)4- + OH- + [18O]D- + [18O]T- + OH- = FeOH[18O]D[18O]TOH- + 4OH- -Fe(OH)4- + OH- + [18O]T- + OH- + OH- = FeOH[18O]TOHOH- + 4OH- -Fe(OH)4- + OH- + [18O]T- + OH- + OD- = FeOH[18O]TOHOD- + 4OH- -Fe(OH)4- + OH- + [18O]T- + OH- + [18O]H- = FeOH[18O]TOH[18O]H- + 4OH- -Fe(OH)4- + OH- + [18O]T- + OH- + [18O]D- = FeOH[18O]TOH[18O]D- + 4OH- -Fe(OH)4- + OH- + [18O]T- + OD- + OH- = FeOH[18O]TODOH- + 4OH- -Fe(OH)4- + OH- + [18O]T- + OD- + OD- = FeOH[18O]TODOD- + 4OH- -Fe(OH)4- + OH- + [18O]T- + OD- + [18O]H- = FeOH[18O]TOD[18O]H- + 4OH- -Fe(OH)4- + OH- + [18O]T- + [18O]H- + OH- = FeOH[18O]T[18O]HOH- + 4OH- -Fe(OH)4- + OH- + [18O]T- + [18O]H- + OD- = FeOH[18O]T[18O]HOD- + 4OH- -Fe(OH)4- + OH- + [18O]T- + [18O]D- + OH- = FeOH[18O]T[18O]DOH- + 4OH- -Fe(OH)4- + OD- + OH- + OH- + OH- = FeODOHOHOH- + 4OH- -Fe(OH)4- + OD- + OH- + OH- + OD- = FeODOHOHOD- + 4OH- -Fe(OH)4- + OD- + OH- + OH- + OT- = FeODOHOHOT- + 4OH- -Fe(OH)4- + OD- + OH- + OH- + [18O]H- = FeODOHOH[18O]H- + 4OH- -Fe(OH)4- + OD- + OH- + OH- + [18O]D- = FeODOHOH[18O]D- + 4OH- -Fe(OH)4- + OD- + OH- + OH- + [18O]T- = FeODOHOH[18O]T- + 4OH- -Fe(OH)4- + OD- + OH- + OD- + OH- = FeODOHODOH- + 4OH- -Fe(OH)4- + OD- + OH- + OD- + OT- = FeODOHODOT- + 4OH- -Fe(OH)4- + OD- + OH- + OD- + [18O]H- = FeODOHOD[18O]H- + 4OH- -Fe(OH)4- + OD- + OH- + OD- + [18O]T- = FeODOHOD[18O]T- + 4OH- -Fe(OH)4- + OD- + OH- + OT- + OH- = FeODOHOTOH- + 4OH- -Fe(OH)4- + OD- + OH- + OT- + OD- = FeODOHOTOD- + 4OH- -Fe(OH)4- + OD- + OH- + OT- + [18O]H- = FeODOHOT[18O]H- + 4OH- -Fe(OH)4- + OD- + OH- + OT- + [18O]D- = FeODOHOT[18O]D- + 4OH- -Fe(OH)4- + OD- + OH- + [18O]H- + OH- = FeODOH[18O]HOH- + 4OH- -Fe(OH)4- + OD- + OH- + [18O]H- + OD- = FeODOH[18O]HOD- + 4OH- -Fe(OH)4- + OD- + OH- + [18O]H- + OT- = FeODOH[18O]HOT- + 4OH- -Fe(OH)4- + OD- + OH- + [18O]H- + [18O]H- = FeODOH[18O]H[18O]H- + 4OH- -Fe(OH)4- + OD- + OH- + [18O]H- + [18O]D- = FeODOH[18O]H[18O]D- + 4OH- -Fe(OH)4- + OD- + OH- + [18O]H- + [18O]T- = FeODOH[18O]H[18O]T- + 4OH- -Fe(OH)4- + OD- + OH- + [18O]D- + OH- = FeODOH[18O]DOH- + 4OH- -Fe(OH)4- + OD- + OH- + [18O]D- + OT- = FeODOH[18O]DOT- + 4OH- -Fe(OH)4- + OD- + OH- + [18O]D- + [18O]H- = FeODOH[18O]D[18O]H- + 4OH- -Fe(OH)4- + OD- + OH- + [18O]T- + OH- = FeODOH[18O]TOH- + 4OH- -Fe(OH)4- + OD- + OH- + [18O]T- + OD- = FeODOH[18O]TOD- + 4OH- -Fe(OH)4- + OD- + OH- + [18O]T- + [18O]H- = FeODOH[18O]T[18O]H- + 4OH- -Fe(OH)4- + OD- + OD- + OH- + OH- = FeODODOHOH- + 4OH- -Fe(OH)4- + OD- + OD- + OH- + OT- = FeODODOHOT- + 4OH- -Fe(OH)4- + OD- + OD- + OH- + [18O]H- = FeODODOH[18O]H- + 4OH- -Fe(OH)4- + OD- + OD- + OH- + [18O]T- = FeODODOH[18O]T- + 4OH- -Fe(OH)4- + OD- + OD- + OT- + OH- = FeODODOTOH- + 4OH- -Fe(OH)4- + OD- + OD- + OT- + [18O]H- = FeODODOT[18O]H- + 4OH- -Fe(OH)4- + OD- + OD- + [18O]H- + OH- = FeODOD[18O]HOH- + 4OH- -Fe(OH)4- + OD- + OD- + [18O]H- + OT- = FeODOD[18O]HOT- + 4OH- -Fe(OH)4- + OD- + OD- + [18O]H- + [18O]H- = FeODOD[18O]H[18O]H- + 4OH- -Fe(OH)4- + OD- + OD- + [18O]T- + OH- = FeODOD[18O]TOH- + 4OH- -Fe(OH)4- + OD- + OT- + OH- + OH- = FeODOTOHOH- + 4OH- -Fe(OH)4- + OD- + OT- + OH- + OD- = FeODOTOHOD- + 4OH- -Fe(OH)4- + OD- + OT- + OH- + [18O]H- = FeODOTOH[18O]H- + 4OH- -Fe(OH)4- + OD- + OT- + OH- + [18O]D- = FeODOTOH[18O]D- + 4OH- -Fe(OH)4- + OD- + OT- + OD- + OH- = FeODOTODOH- + 4OH- -Fe(OH)4- + OD- + OT- + OD- + [18O]H- = FeODOTOD[18O]H- + 4OH- -Fe(OH)4- + OD- + OT- + [18O]H- + OH- = FeODOT[18O]HOH- + 4OH- -Fe(OH)4- + OD- + OT- + [18O]H- + OD- = FeODOT[18O]HOD- + 4OH- -Fe(OH)4- + OD- + OT- + [18O]H- + [18O]H- = FeODOT[18O]H[18O]H- + 4OH- -Fe(OH)4- + OD- + OT- + [18O]D- + OH- = FeODOT[18O]DOH- + 4OH- -Fe(OH)4- + OD- + [18O]H- + OH- + OH- = FeOD[18O]HOHOH- + 4OH- -Fe(OH)4- + OD- + [18O]H- + OH- + OD- = FeOD[18O]HOHOD- + 4OH- -Fe(OH)4- + OD- + [18O]H- + OH- + OT- = FeOD[18O]HOHOT- + 4OH- -Fe(OH)4- + OD- + [18O]H- + OH- + [18O]H- = FeOD[18O]HOH[18O]H- + 4OH- -Fe(OH)4- + OD- + [18O]H- + OH- + [18O]D- = FeOD[18O]HOH[18O]D- + 4OH- -Fe(OH)4- + OD- + [18O]H- + OH- + [18O]T- = FeOD[18O]HOH[18O]T- + 4OH- -Fe(OH)4- + OD- + [18O]H- + OD- + OH- = FeOD[18O]HODOH- + 4OH- -Fe(OH)4- + OD- + [18O]H- + OD- + OT- = FeOD[18O]HODOT- + 4OH- -Fe(OH)4- + OD- + [18O]H- + OD- + [18O]H- = FeOD[18O]HOD[18O]H- + 4OH- -Fe(OH)4- + OD- + [18O]H- + OT- + OH- = FeOD[18O]HOTOH- + 4OH- -Fe(OH)4- + OD- + [18O]H- + OT- + OD- = FeOD[18O]HOTOD- + 4OH- -Fe(OH)4- + OD- + [18O]H- + OT- + [18O]H- = FeOD[18O]HOT[18O]H- + 4OH- -Fe(OH)4- + OD- + [18O]H- + [18O]H- + OH- = FeOD[18O]H[18O]HOH- + 4OH- -Fe(OH)4- + OD- + [18O]H- + [18O]H- + OD- = FeOD[18O]H[18O]HOD- + 4OH- -Fe(OH)4- + OD- + [18O]H- + [18O]H- + OT- = FeOD[18O]H[18O]HOT- + 4OH- -Fe(OH)4- + OD- + [18O]H- + [18O]D- + OH- = FeOD[18O]H[18O]DOH- + 4OH- -Fe(OH)4- + OD- + [18O]H- + [18O]T- + OH- = FeOD[18O]H[18O]TOH- + 4OH- -Fe(OH)4- + OD- + [18O]D- + OH- + OH- = FeOD[18O]DOHOH- + 4OH- -Fe(OH)4- + OD- + [18O]D- + OH- + OT- = FeOD[18O]DOHOT- + 4OH- -Fe(OH)4- + OD- + [18O]D- + OH- + [18O]H- = FeOD[18O]DOH[18O]H- + 4OH- -Fe(OH)4- + OD- + [18O]D- + OT- + OH- = FeOD[18O]DOTOH- + 4OH- -Fe(OH)4- + OD- + [18O]D- + [18O]H- + OH- = FeOD[18O]D[18O]HOH- + 4OH- -Fe(OH)4- + OD- + [18O]T- + OH- + OH- = FeOD[18O]TOHOH- + 4OH- -Fe(OH)4- + OD- + [18O]T- + OH- + OD- = FeOD[18O]TOHOD- + 4OH- -Fe(OH)4- + OD- + [18O]T- + OH- + [18O]H- = FeOD[18O]TOH[18O]H- + 4OH- -Fe(OH)4- + OD- + [18O]T- + OD- + OH- = FeOD[18O]TODOH- + 4OH- -Fe(OH)4- + OD- + [18O]T- + [18O]H- + OH- = FeOD[18O]T[18O]HOH- + 4OH- -Fe(OH)4- + OT- + OH- + OH- + OH- = FeOTOHOHOH- + 4OH- -Fe(OH)4- + OT- + OH- + OH- + OD- = FeOTOHOHOD- + 4OH- -Fe(OH)4- + OT- + OH- + OH- + [18O]H- = FeOTOHOH[18O]H- + 4OH- -Fe(OH)4- + OT- + OH- + OH- + [18O]D- = FeOTOHOH[18O]D- + 4OH- -Fe(OH)4- + OT- + OH- + OD- + OH- = FeOTOHODOH- + 4OH- -Fe(OH)4- + OT- + OH- + OD- + OD- = FeOTOHODOD- + 4OH- -Fe(OH)4- + OT- + OH- + OD- + [18O]H- = FeOTOHOD[18O]H- + 4OH- -Fe(OH)4- + OT- + OH- + OD- + [18O]D- = FeOTOHOD[18O]D- + 4OH- -Fe(OH)4- + OT- + OH- + [18O]H- + OH- = FeOTOH[18O]HOH- + 4OH- -Fe(OH)4- + OT- + OH- + [18O]H- + OD- = FeOTOH[18O]HOD- + 4OH- -Fe(OH)4- + OT- + OH- + [18O]H- + [18O]H- = FeOTOH[18O]H[18O]H- + 4OH- -Fe(OH)4- + OT- + OH- + [18O]H- + [18O]D- = FeOTOH[18O]H[18O]D- + 4OH- -Fe(OH)4- + OT- + OH- + [18O]D- + OH- = FeOTOH[18O]DOH- + 4OH- -Fe(OH)4- + OT- + OH- + [18O]D- + OD- = FeOTOH[18O]DOD- + 4OH- -Fe(OH)4- + OT- + OH- + [18O]D- + [18O]H- = FeOTOH[18O]D[18O]H- + 4OH- -Fe(OH)4- + OT- + OD- + OH- + OH- = FeOTODOHOH- + 4OH- -Fe(OH)4- + OT- + OD- + OH- + OD- = FeOTODOHOD- + 4OH- -Fe(OH)4- + OT- + OD- + OH- + [18O]H- = FeOTODOH[18O]H- + 4OH- -Fe(OH)4- + OT- + OD- + OH- + [18O]D- = FeOTODOH[18O]D- + 4OH- -Fe(OH)4- + OT- + OD- + OD- + OH- = FeOTODODOH- + 4OH- -Fe(OH)4- + OT- + OD- + OD- + [18O]H- = FeOTODOD[18O]H- + 4OH- -Fe(OH)4- + OT- + OD- + [18O]H- + OH- = FeOTOD[18O]HOH- + 4OH- -Fe(OH)4- + OT- + OD- + [18O]H- + OD- = FeOTOD[18O]HOD- + 4OH- -Fe(OH)4- + OT- + OD- + [18O]H- + [18O]H- = FeOTOD[18O]H[18O]H- + 4OH- -Fe(OH)4- + OT- + OD- + [18O]D- + OH- = FeOTOD[18O]DOH- + 4OH- -Fe(OH)4- + OT- + [18O]H- + OH- + OH- = FeOT[18O]HOHOH- + 4OH- -Fe(OH)4- + OT- + [18O]H- + OH- + OD- = FeOT[18O]HOHOD- + 4OH- -Fe(OH)4- + OT- + [18O]H- + OH- + [18O]H- = FeOT[18O]HOH[18O]H- + 4OH- -Fe(OH)4- + OT- + [18O]H- + OH- + [18O]D- = FeOT[18O]HOH[18O]D- + 4OH- -Fe(OH)4- + OT- + [18O]H- + OD- + OH- = FeOT[18O]HODOH- + 4OH- -Fe(OH)4- + OT- + [18O]H- + OD- + OD- = FeOT[18O]HODOD- + 4OH- -Fe(OH)4- + OT- + [18O]H- + OD- + [18O]H- = FeOT[18O]HOD[18O]H- + 4OH- -Fe(OH)4- + OT- + [18O]H- + [18O]H- + OH- = FeOT[18O]H[18O]HOH- + 4OH- -Fe(OH)4- + OT- + [18O]H- + [18O]H- + OD- = FeOT[18O]H[18O]HOD- + 4OH- -Fe(OH)4- + OT- + [18O]H- + [18O]D- + OH- = FeOT[18O]H[18O]DOH- + 4OH- -Fe(OH)4- + OT- + [18O]D- + OH- + OH- = FeOT[18O]DOHOH- + 4OH- -Fe(OH)4- + OT- + [18O]D- + OH- + OD- = FeOT[18O]DOHOD- + 4OH- -Fe(OH)4- + OT- + [18O]D- + OH- + [18O]H- = FeOT[18O]DOH[18O]H- + 4OH- -Fe(OH)4- + OT- + [18O]D- + OD- + OH- = FeOT[18O]DODOH- + 4OH- -Fe(OH)4- + OT- + [18O]D- + [18O]H- + OH- = FeOT[18O]D[18O]HOH- + 4OH- -Fe(OH)4- + [18O]H- + OH- + OH- + OH- = Fe[18O]HOHOHOH- + 4OH- -Fe(OH)4- + [18O]H- + OH- + OH- + OD- = Fe[18O]HOHOHOD- + 4OH- -Fe(OH)4- + [18O]H- + OH- + OH- + OT- = Fe[18O]HOHOHOT- + 4OH- -Fe(OH)4- + [18O]H- + OH- + OH- + [18O]H- = Fe[18O]HOHOH[18O]H- + 4OH- -Fe(OH)4- + [18O]H- + OH- + OH- + [18O]D- = Fe[18O]HOHOH[18O]D- + 4OH- -Fe(OH)4- + [18O]H- + OH- + OH- + [18O]T- = Fe[18O]HOHOH[18O]T- + 4OH- -Fe(OH)4- + [18O]H- + OH- + OD- + OH- = Fe[18O]HOHODOH- + 4OH- -Fe(OH)4- + [18O]H- + OH- + OD- + OD- = Fe[18O]HOHODOD- + 4OH- -Fe(OH)4- + [18O]H- + OH- + OD- + OT- = Fe[18O]HOHODOT- + 4OH- -Fe(OH)4- + [18O]H- + OH- + OD- + [18O]H- = Fe[18O]HOHOD[18O]H- + 4OH- -Fe(OH)4- + [18O]H- + OH- + OD- + [18O]D- = Fe[18O]HOHOD[18O]D- + 4OH- -Fe(OH)4- + [18O]H- + OH- + OD- + [18O]T- = Fe[18O]HOHOD[18O]T- + 4OH- -Fe(OH)4- + [18O]H- + OH- + OT- + OH- = Fe[18O]HOHOTOH- + 4OH- -Fe(OH)4- + [18O]H- + OH- + OT- + OD- = Fe[18O]HOHOTOD- + 4OH- -Fe(OH)4- + [18O]H- + OH- + OT- + [18O]H- = Fe[18O]HOHOT[18O]H- + 4OH- -Fe(OH)4- + [18O]H- + OH- + OT- + [18O]D- = Fe[18O]HOHOT[18O]D- + 4OH- -Fe(OH)4- + [18O]H- + OH- + [18O]H- + OH- = Fe[18O]HOH[18O]HOH- + 4OH- -Fe(OH)4- + [18O]H- + OH- + [18O]H- + OD- = Fe[18O]HOH[18O]HOD- + 4OH- -Fe(OH)4- + [18O]H- + OH- + [18O]H- + OT- = Fe[18O]HOH[18O]HOT- + 4OH- -Fe(OH)4- + [18O]H- + OH- + [18O]D- + OH- = Fe[18O]HOH[18O]DOH- + 4OH- -Fe(OH)4- + [18O]H- + OH- + [18O]D- + OD- = Fe[18O]HOH[18O]DOD- + 4OH- -Fe(OH)4- + [18O]H- + OH- + [18O]D- + OT- = Fe[18O]HOH[18O]DOT- + 4OH- -Fe(OH)4- + [18O]H- + OH- + [18O]T- + OH- = Fe[18O]HOH[18O]TOH- + 4OH- -Fe(OH)4- + [18O]H- + OH- + [18O]T- + OD- = Fe[18O]HOH[18O]TOD- + 4OH- -Fe(OH)4- + [18O]H- + OD- + OH- + OH- = Fe[18O]HODOHOH- + 4OH- -Fe(OH)4- + [18O]H- + OD- + OH- + OD- = Fe[18O]HODOHOD- + 4OH- -Fe(OH)4- + [18O]H- + OD- + OH- + OT- = Fe[18O]HODOHOT- + 4OH- -Fe(OH)4- + [18O]H- + OD- + OH- + [18O]H- = Fe[18O]HODOH[18O]H- + 4OH- -Fe(OH)4- + [18O]H- + OD- + OH- + [18O]D- = Fe[18O]HODOH[18O]D- + 4OH- -Fe(OH)4- + [18O]H- + OD- + OH- + [18O]T- = Fe[18O]HODOH[18O]T- + 4OH- -Fe(OH)4- + [18O]H- + OD- + OD- + OH- = Fe[18O]HODODOH- + 4OH- -Fe(OH)4- + [18O]H- + OD- + OD- + OT- = Fe[18O]HODODOT- + 4OH- -Fe(OH)4- + [18O]H- + OD- + OD- + [18O]H- = Fe[18O]HODOD[18O]H- + 4OH- -Fe(OH)4- + [18O]H- + OD- + OT- + OH- = Fe[18O]HODOTOH- + 4OH- -Fe(OH)4- + [18O]H- + OD- + OT- + OD- = Fe[18O]HODOTOD- + 4OH- -Fe(OH)4- + [18O]H- + OD- + OT- + [18O]H- = Fe[18O]HODOT[18O]H- + 4OH- -Fe(OH)4- + [18O]H- + OD- + [18O]H- + OH- = Fe[18O]HOD[18O]HOH- + 4OH- -Fe(OH)4- + [18O]H- + OD- + [18O]H- + OD- = Fe[18O]HOD[18O]HOD- + 4OH- -Fe(OH)4- + [18O]H- + OD- + [18O]H- + OT- = Fe[18O]HOD[18O]HOT- + 4OH- -Fe(OH)4- + [18O]H- + OD- + [18O]D- + OH- = Fe[18O]HOD[18O]DOH- + 4OH- -Fe(OH)4- + [18O]H- + OD- + [18O]T- + OH- = Fe[18O]HOD[18O]TOH- + 4OH- -Fe(OH)4- + [18O]H- + OT- + OH- + OH- = Fe[18O]HOTOHOH- + 4OH- -Fe(OH)4- + [18O]H- + OT- + OH- + OD- = Fe[18O]HOTOHOD- + 4OH- -Fe(OH)4- + [18O]H- + OT- + OH- + [18O]H- = Fe[18O]HOTOH[18O]H- + 4OH- -Fe(OH)4- + [18O]H- + OT- + OH- + [18O]D- = Fe[18O]HOTOH[18O]D- + 4OH- -Fe(OH)4- + [18O]H- + OT- + OD- + OH- = Fe[18O]HOTODOH- + 4OH- -Fe(OH)4- + [18O]H- + OT- + OD- + OD- = Fe[18O]HOTODOD- + 4OH- -Fe(OH)4- + [18O]H- + OT- + OD- + [18O]H- = Fe[18O]HOTOD[18O]H- + 4OH- -Fe(OH)4- + [18O]H- + OT- + [18O]H- + OH- = Fe[18O]HOT[18O]HOH- + 4OH- -Fe(OH)4- + [18O]H- + OT- + [18O]H- + OD- = Fe[18O]HOT[18O]HOD- + 4OH- -Fe(OH)4- + [18O]H- + OT- + [18O]D- + OH- = Fe[18O]HOT[18O]DOH- + 4OH- -Fe(OH)4- + [18O]H- + [18O]H- + OH- + OH- = Fe[18O]H[18O]HOHOH- + 4OH- -Fe(OH)4- + [18O]H- + [18O]H- + OH- + OD- = Fe[18O]H[18O]HOHOD- + 4OH- -Fe(OH)4- + [18O]H- + [18O]H- + OH- + OT- = Fe[18O]H[18O]HOHOT- + 4OH- -Fe(OH)4- + [18O]H- + [18O]H- + OD- + OH- = Fe[18O]H[18O]HODOH- + 4OH- -Fe(OH)4- + [18O]H- + [18O]H- + OD- + OD- = Fe[18O]H[18O]HODOD- + 4OH- -Fe(OH)4- + [18O]H- + [18O]H- + OD- + OT- = Fe[18O]H[18O]HODOT- + 4OH- -Fe(OH)4- + [18O]H- + [18O]H- + OT- + OH- = Fe[18O]H[18O]HOTOH- + 4OH- -Fe(OH)4- + [18O]H- + [18O]H- + OT- + OD- = Fe[18O]H[18O]HOTOD- + 4OH- -Fe(OH)4- + [18O]H- + [18O]D- + OH- + OH- = Fe[18O]H[18O]DOHOH- + 4OH- -Fe(OH)4- + [18O]H- + [18O]D- + OH- + OD- = Fe[18O]H[18O]DOHOD- + 4OH- -Fe(OH)4- + [18O]H- + [18O]D- + OH- + OT- = Fe[18O]H[18O]DOHOT- + 4OH- -Fe(OH)4- + [18O]H- + [18O]D- + OD- + OH- = Fe[18O]H[18O]DODOH- + 4OH- -Fe(OH)4- + [18O]H- + [18O]D- + OT- + OH- = Fe[18O]H[18O]DOTOH- + 4OH- -Fe(OH)4- + [18O]H- + [18O]T- + OH- + OH- = Fe[18O]H[18O]TOHOH- + 4OH- -Fe(OH)4- + [18O]H- + [18O]T- + OH- + OD- = Fe[18O]H[18O]TOHOD- + 4OH- -Fe(OH)4- + [18O]H- + [18O]T- + OD- + OH- = Fe[18O]H[18O]TODOH- + 4OH- -Fe(OH)4- + [18O]D- + OH- + OH- + OH- = Fe[18O]DOHOHOH- + 4OH- -Fe(OH)4- + [18O]D- + OH- + OH- + OD- = Fe[18O]DOHOHOD- + 4OH- -Fe(OH)4- + [18O]D- + OH- + OH- + OT- = Fe[18O]DOHOHOT- + 4OH- -Fe(OH)4- + [18O]D- + OH- + OH- + [18O]H- = Fe[18O]DOHOH[18O]H- + 4OH- -Fe(OH)4- + [18O]D- + OH- + OH- + [18O]D- = Fe[18O]DOHOH[18O]D- + 4OH- -Fe(OH)4- + [18O]D- + OH- + OH- + [18O]T- = Fe[18O]DOHOH[18O]T- + 4OH- -Fe(OH)4- + [18O]D- + OH- + OD- + OH- = Fe[18O]DOHODOH- + 4OH- -Fe(OH)4- + [18O]D- + OH- + OD- + OT- = Fe[18O]DOHODOT- + 4OH- -Fe(OH)4- + [18O]D- + OH- + OD- + [18O]H- = Fe[18O]DOHOD[18O]H- + 4OH- -Fe(OH)4- + [18O]D- + OH- + OT- + OH- = Fe[18O]DOHOTOH- + 4OH- -Fe(OH)4- + [18O]D- + OH- + OT- + OD- = Fe[18O]DOHOTOD- + 4OH- -Fe(OH)4- + [18O]D- + OH- + OT- + [18O]H- = Fe[18O]DOHOT[18O]H- + 4OH- -Fe(OH)4- + [18O]D- + OH- + [18O]H- + OH- = Fe[18O]DOH[18O]HOH- + 4OH- -Fe(OH)4- + [18O]D- + OH- + [18O]H- + OD- = Fe[18O]DOH[18O]HOD- + 4OH- -Fe(OH)4- + [18O]D- + OH- + [18O]H- + OT- = Fe[18O]DOH[18O]HOT- + 4OH- -Fe(OH)4- + [18O]D- + OH- + [18O]D- + OH- = Fe[18O]DOH[18O]DOH- + 4OH- -Fe(OH)4- + [18O]D- + OH- + [18O]T- + OH- = Fe[18O]DOH[18O]TOH- + 4OH- -Fe(OH)4- + [18O]D- + OD- + OH- + OH- = Fe[18O]DODOHOH- + 4OH- -Fe(OH)4- + [18O]D- + OD- + OH- + OT- = Fe[18O]DODOHOT- + 4OH- -Fe(OH)4- + [18O]D- + OD- + OH- + [18O]H- = Fe[18O]DODOH[18O]H- + 4OH- -Fe(OH)4- + [18O]D- + OD- + OT- + OH- = Fe[18O]DODOTOH- + 4OH- -Fe(OH)4- + [18O]D- + OD- + [18O]H- + OH- = Fe[18O]DOD[18O]HOH- + 4OH- -Fe(OH)4- + [18O]D- + OT- + OH- + OH- = Fe[18O]DOTOHOH- + 4OH- -Fe(OH)4- + [18O]D- + OT- + OH- + OD- = Fe[18O]DOTOHOD- + 4OH- -Fe(OH)4- + [18O]D- + OT- + OH- + [18O]H- = Fe[18O]DOTOH[18O]H- + 4OH- -Fe(OH)4- + [18O]D- + OT- + OD- + OH- = Fe[18O]DOTODOH- + 4OH- -Fe(OH)4- + [18O]D- + OT- + [18O]H- + OH- = Fe[18O]DOT[18O]HOH- + 4OH- -Fe(OH)4- + [18O]D- + [18O]H- + OH- + OH- = Fe[18O]D[18O]HOHOH- + 4OH- -Fe(OH)4- + [18O]D- + [18O]H- + OH- + OD- = Fe[18O]D[18O]HOHOD- + 4OH- -Fe(OH)4- + [18O]D- + [18O]H- + OH- + OT- = Fe[18O]D[18O]HOHOT- + 4OH- -Fe(OH)4- + [18O]D- + [18O]H- + OD- + OH- = Fe[18O]D[18O]HODOH- + 4OH- -Fe(OH)4- + [18O]D- + [18O]H- + OT- + OH- = Fe[18O]D[18O]HOTOH- + 4OH- -Fe(OH)4- + [18O]D- + [18O]D- + OH- + OH- = Fe[18O]D[18O]DOHOH- + 4OH- -Fe(OH)4- + [18O]D- + [18O]T- + OH- + OH- = Fe[18O]D[18O]TOHOH- + 4OH- -Fe(OH)4- + [18O]T- + OH- + OH- + OH- = Fe[18O]TOHOHOH- + 4OH- -Fe(OH)4- + [18O]T- + OH- + OH- + OD- = Fe[18O]TOHOHOD- + 4OH- -Fe(OH)4- + [18O]T- + OH- + OH- + [18O]H- = Fe[18O]TOHOH[18O]H- + 4OH- -Fe(OH)4- + [18O]T- + OH- + OH- + [18O]D- = Fe[18O]TOHOH[18O]D- + 4OH- -Fe(OH)4- + [18O]T- + OH- + OD- + OH- = Fe[18O]TOHODOH- + 4OH- -Fe(OH)4- + [18O]T- + OH- + OD- + OD- = Fe[18O]TOHODOD- + 4OH- -Fe(OH)4- + [18O]T- + OH- + OD- + [18O]H- = Fe[18O]TOHOD[18O]H- + 4OH- -Fe(OH)4- + [18O]T- + OH- + [18O]H- + OH- = Fe[18O]TOH[18O]HOH- + 4OH- -Fe(OH)4- + [18O]T- + OH- + [18O]H- + OD- = Fe[18O]TOH[18O]HOD- + 4OH- -Fe(OH)4- + [18O]T- + OH- + [18O]D- + OH- = Fe[18O]TOH[18O]DOH- + 4OH- -Fe(OH)4- + [18O]T- + OD- + OH- + OH- = Fe[18O]TODOHOH- + 4OH- -Fe(OH)4- + [18O]T- + OD- + OH- + OD- = Fe[18O]TODOHOD- + 4OH- -Fe(OH)4- + [18O]T- + OD- + OH- + [18O]H- = Fe[18O]TODOH[18O]H- + 4OH- -Fe(OH)4- + [18O]T- + OD- + OD- + OH- = Fe[18O]TODODOH- + 4OH- -Fe(OH)4- + [18O]T- + OD- + [18O]H- + OH- = Fe[18O]TOD[18O]HOH- + 4OH- -Fe(OH)4- + [18O]T- + [18O]H- + OH- + OH- = Fe[18O]T[18O]HOHOH- + 4OH- -Fe(OH)4- + [18O]T- + [18O]H- + OH- + OD- = Fe[18O]T[18O]HOHOD- + 4OH- -Fe(OH)4- + [18O]T- + [18O]H- + OD- + OH- = Fe[18O]T[18O]HODOH- + 4OH- -Fe(OH)4- + [18O]T- + [18O]D- + OH- + OH- = Fe[18O]T[18O]DOHOH- + 4OH- +Fe(OH)4- + OH- + OH- + OH- + OD- = FeOHOHOHOD- + 4 OH- +Fe(OH)4- + OH- + OH- + OH- + OT- = FeOHOHOHOT- + 4 OH- +Fe(OH)4- + OH- + OH- + OH- + [18O]H- = FeOHOHOH[18O]H- + 4 OH- +Fe(OH)4- + OH- + OH- + OH- + [18O]D- = FeOHOHOH[18O]D- + 4 OH- +Fe(OH)4- + OH- + OH- + OH- + [18O]T- = FeOHOHOH[18O]T- + 4 OH- +Fe(OH)4- + OH- + OH- + OD- + OH- = FeOHOHODOH- + 4 OH- +Fe(OH)4- + OH- + OH- + OD- + OD- = FeOHOHODOD- + 4 OH- +Fe(OH)4- + OH- + OH- + OD- + OT- = FeOHOHODOT- + 4 OH- +Fe(OH)4- + OH- + OH- + OD- + [18O]H- = FeOHOHOD[18O]H- + 4 OH- +Fe(OH)4- + OH- + OH- + OD- + [18O]D- = FeOHOHOD[18O]D- + 4 OH- +Fe(OH)4- + OH- + OH- + OD- + [18O]T- = FeOHOHOD[18O]T- + 4 OH- +Fe(OH)4- + OH- + OH- + OT- + OH- = FeOHOHOTOH- + 4 OH- +Fe(OH)4- + OH- + OH- + OT- + OD- = FeOHOHOTOD- + 4 OH- +Fe(OH)4- + OH- + OH- + OT- + [18O]H- = FeOHOHOT[18O]H- + 4 OH- +Fe(OH)4- + OH- + OH- + OT- + [18O]D- = FeOHOHOT[18O]D- + 4 OH- +Fe(OH)4- + OH- + OH- + [18O]H- + OH- = FeOHOH[18O]HOH- + 4 OH- +Fe(OH)4- + OH- + OH- + [18O]H- + OD- = FeOHOH[18O]HOD- + 4 OH- +Fe(OH)4- + OH- + OH- + [18O]H- + OT- = FeOHOH[18O]HOT- + 4 OH- +Fe(OH)4- + OH- + OH- + [18O]H- + [18O]H- = FeOHOH[18O]H[18O]H- + 4 OH- +Fe(OH)4- + OH- + OH- + [18O]H- + [18O]D- = FeOHOH[18O]H[18O]D- + 4 OH- +Fe(OH)4- + OH- + OH- + [18O]H- + [18O]T- = FeOHOH[18O]H[18O]T- + 4 OH- +Fe(OH)4- + OH- + OH- + [18O]D- + OH- = FeOHOH[18O]DOH- + 4 OH- +Fe(OH)4- + OH- + OH- + [18O]D- + OD- = FeOHOH[18O]DOD- + 4 OH- +Fe(OH)4- + OH- + OH- + [18O]D- + OT- = FeOHOH[18O]DOT- + 4 OH- +Fe(OH)4- + OH- + OH- + [18O]D- + [18O]H- = FeOHOH[18O]D[18O]H- + 4 OH- +Fe(OH)4- + OH- + OH- + [18O]D- + [18O]D- = FeOHOH[18O]D[18O]D- + 4 OH- +Fe(OH)4- + OH- + OH- + [18O]D- + [18O]T- = FeOHOH[18O]D[18O]T- + 4 OH- +Fe(OH)4- + OH- + OH- + [18O]T- + OH- = FeOHOH[18O]TOH- + 4 OH- +Fe(OH)4- + OH- + OH- + [18O]T- + OD- = FeOHOH[18O]TOD- + 4 OH- +Fe(OH)4- + OH- + OH- + [18O]T- + [18O]H- = FeOHOH[18O]T[18O]H- + 4 OH- +Fe(OH)4- + OH- + OH- + [18O]T- + [18O]D- = FeOHOH[18O]T[18O]D- + 4 OH- +Fe(OH)4- + OH- + OD- + OH- + OH- = FeOHODOHOH- + 4 OH- +Fe(OH)4- + OH- + OD- + OH- + OD- = FeOHODOHOD- + 4 OH- +Fe(OH)4- + OH- + OD- + OH- + OT- = FeOHODOHOT- + 4 OH- +Fe(OH)4- + OH- + OD- + OH- + [18O]H- = FeOHODOH[18O]H- + 4 OH- +Fe(OH)4- + OH- + OD- + OH- + [18O]D- = FeOHODOH[18O]D- + 4 OH- +Fe(OH)4- + OH- + OD- + OH- + [18O]T- = FeOHODOH[18O]T- + 4 OH- +Fe(OH)4- + OH- + OD- + OD- + OH- = FeOHODODOH- + 4 OH- +Fe(OH)4- + OH- + OD- + OD- + OT- = FeOHODODOT- + 4 OH- +Fe(OH)4- + OH- + OD- + OD- + [18O]H- = FeOHODOD[18O]H- + 4 OH- +Fe(OH)4- + OH- + OD- + OD- + [18O]T- = FeOHODOD[18O]T- + 4 OH- +Fe(OH)4- + OH- + OD- + OT- + OH- = FeOHODOTOH- + 4 OH- +Fe(OH)4- + OH- + OD- + OT- + OD- = FeOHODOTOD- + 4 OH- +Fe(OH)4- + OH- + OD- + OT- + [18O]H- = FeOHODOT[18O]H- + 4 OH- +Fe(OH)4- + OH- + OD- + OT- + [18O]D- = FeOHODOT[18O]D- + 4 OH- +Fe(OH)4- + OH- + OD- + [18O]H- + OH- = FeOHOD[18O]HOH- + 4 OH- +Fe(OH)4- + OH- + OD- + [18O]H- + OD- = FeOHOD[18O]HOD- + 4 OH- +Fe(OH)4- + OH- + OD- + [18O]H- + OT- = FeOHOD[18O]HOT- + 4 OH- +Fe(OH)4- + OH- + OD- + [18O]H- + [18O]H- = FeOHOD[18O]H[18O]H- + 4 OH- +Fe(OH)4- + OH- + OD- + [18O]H- + [18O]D- = FeOHOD[18O]H[18O]D- + 4 OH- +Fe(OH)4- + OH- + OD- + [18O]H- + [18O]T- = FeOHOD[18O]H[18O]T- + 4 OH- +Fe(OH)4- + OH- + OD- + [18O]D- + OH- = FeOHOD[18O]DOH- + 4 OH- +Fe(OH)4- + OH- + OD- + [18O]D- + OT- = FeOHOD[18O]DOT- + 4 OH- +Fe(OH)4- + OH- + OD- + [18O]D- + [18O]H- = FeOHOD[18O]D[18O]H- + 4 OH- +Fe(OH)4- + OH- + OD- + [18O]T- + OH- = FeOHOD[18O]TOH- + 4 OH- +Fe(OH)4- + OH- + OD- + [18O]T- + OD- = FeOHOD[18O]TOD- + 4 OH- +Fe(OH)4- + OH- + OD- + [18O]T- + [18O]H- = FeOHOD[18O]T[18O]H- + 4 OH- +Fe(OH)4- + OH- + OT- + OH- + OH- = FeOHOTOHOH- + 4 OH- +Fe(OH)4- + OH- + OT- + OH- + OD- = FeOHOTOHOD- + 4 OH- +Fe(OH)4- + OH- + OT- + OH- + [18O]H- = FeOHOTOH[18O]H- + 4 OH- +Fe(OH)4- + OH- + OT- + OH- + [18O]D- = FeOHOTOH[18O]D- + 4 OH- +Fe(OH)4- + OH- + OT- + OD- + OH- = FeOHOTODOH- + 4 OH- +Fe(OH)4- + OH- + OT- + OD- + OD- = FeOHOTODOD- + 4 OH- +Fe(OH)4- + OH- + OT- + OD- + [18O]H- = FeOHOTOD[18O]H- + 4 OH- +Fe(OH)4- + OH- + OT- + OD- + [18O]D- = FeOHOTOD[18O]D- + 4 OH- +Fe(OH)4- + OH- + OT- + [18O]H- + OH- = FeOHOT[18O]HOH- + 4 OH- +Fe(OH)4- + OH- + OT- + [18O]H- + OD- = FeOHOT[18O]HOD- + 4 OH- +Fe(OH)4- + OH- + OT- + [18O]H- + [18O]H- = FeOHOT[18O]H[18O]H- + 4 OH- +Fe(OH)4- + OH- + OT- + [18O]H- + [18O]D- = FeOHOT[18O]H[18O]D- + 4 OH- +Fe(OH)4- + OH- + OT- + [18O]D- + OH- = FeOHOT[18O]DOH- + 4 OH- +Fe(OH)4- + OH- + OT- + [18O]D- + OD- = FeOHOT[18O]DOD- + 4 OH- +Fe(OH)4- + OH- + OT- + [18O]D- + [18O]H- = FeOHOT[18O]D[18O]H- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + OH- + OH- = FeOH[18O]HOHOH- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + OH- + OD- = FeOH[18O]HOHOD- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + OH- + OT- = FeOH[18O]HOHOT- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + OH- + [18O]H- = FeOH[18O]HOH[18O]H- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + OH- + [18O]D- = FeOH[18O]HOH[18O]D- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + OH- + [18O]T- = FeOH[18O]HOH[18O]T- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + OD- + OH- = FeOH[18O]HODOH- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + OD- + OD- = FeOH[18O]HODOD- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + OD- + OT- = FeOH[18O]HODOT- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + OD- + [18O]H- = FeOH[18O]HOD[18O]H- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + OD- + [18O]D- = FeOH[18O]HOD[18O]D- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + OD- + [18O]T- = FeOH[18O]HOD[18O]T- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + OT- + OH- = FeOH[18O]HOTOH- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + OT- + OD- = FeOH[18O]HOTOD- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + OT- + [18O]H- = FeOH[18O]HOT[18O]H- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + OT- + [18O]D- = FeOH[18O]HOT[18O]D- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + [18O]H- + OH- = FeOH[18O]H[18O]HOH- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + [18O]H- + OD- = FeOH[18O]H[18O]HOD- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + [18O]H- + OT- = FeOH[18O]H[18O]HOT- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + [18O]D- + OH- = FeOH[18O]H[18O]DOH- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + [18O]D- + OD- = FeOH[18O]H[18O]DOD- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + [18O]D- + OT- = FeOH[18O]H[18O]DOT- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + [18O]T- + OH- = FeOH[18O]H[18O]TOH- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + [18O]T- + OD- = FeOH[18O]H[18O]TOD- + 4 OH- +Fe(OH)4- + OH- + [18O]D- + OH- + OH- = FeOH[18O]DOHOH- + 4 OH- +Fe(OH)4- + OH- + [18O]D- + OH- + OD- = FeOH[18O]DOHOD- + 4 OH- +Fe(OH)4- + OH- + [18O]D- + OH- + OT- = FeOH[18O]DOHOT- + 4 OH- +Fe(OH)4- + OH- + [18O]D- + OH- + [18O]H- = FeOH[18O]DOH[18O]H- + 4 OH- +Fe(OH)4- + OH- + [18O]D- + OH- + [18O]D- = FeOH[18O]DOH[18O]D- + 4 OH- +Fe(OH)4- + OH- + [18O]D- + OH- + [18O]T- = FeOH[18O]DOH[18O]T- + 4 OH- +Fe(OH)4- + OH- + [18O]D- + OD- + OH- = FeOH[18O]DODOH- + 4 OH- +Fe(OH)4- + OH- + [18O]D- + OD- + OT- = FeOH[18O]DODOT- + 4 OH- +Fe(OH)4- + OH- + [18O]D- + OD- + [18O]H- = FeOH[18O]DOD[18O]H- + 4 OH- +Fe(OH)4- + OH- + [18O]D- + OT- + OH- = FeOH[18O]DOTOH- + 4 OH- +Fe(OH)4- + OH- + [18O]D- + OT- + OD- = FeOH[18O]DOTOD- + 4 OH- +Fe(OH)4- + OH- + [18O]D- + OT- + [18O]H- = FeOH[18O]DOT[18O]H- + 4 OH- +Fe(OH)4- + OH- + [18O]D- + [18O]H- + OH- = FeOH[18O]D[18O]HOH- + 4 OH- +Fe(OH)4- + OH- + [18O]D- + [18O]H- + OD- = FeOH[18O]D[18O]HOD- + 4 OH- +Fe(OH)4- + OH- + [18O]D- + [18O]H- + OT- = FeOH[18O]D[18O]HOT- + 4 OH- +Fe(OH)4- + OH- + [18O]D- + [18O]D- + OH- = FeOH[18O]D[18O]DOH- + 4 OH- +Fe(OH)4- + OH- + [18O]D- + [18O]T- + OH- = FeOH[18O]D[18O]TOH- + 4 OH- +Fe(OH)4- + OH- + [18O]T- + OH- + OH- = FeOH[18O]TOHOH- + 4 OH- +Fe(OH)4- + OH- + [18O]T- + OH- + OD- = FeOH[18O]TOHOD- + 4 OH- +Fe(OH)4- + OH- + [18O]T- + OH- + [18O]H- = FeOH[18O]TOH[18O]H- + 4 OH- +Fe(OH)4- + OH- + [18O]T- + OH- + [18O]D- = FeOH[18O]TOH[18O]D- + 4 OH- +Fe(OH)4- + OH- + [18O]T- + OD- + OH- = FeOH[18O]TODOH- + 4 OH- +Fe(OH)4- + OH- + [18O]T- + OD- + OD- = FeOH[18O]TODOD- + 4 OH- +Fe(OH)4- + OH- + [18O]T- + OD- + [18O]H- = FeOH[18O]TOD[18O]H- + 4 OH- +Fe(OH)4- + OH- + [18O]T- + [18O]H- + OH- = FeOH[18O]T[18O]HOH- + 4 OH- +Fe(OH)4- + OH- + [18O]T- + [18O]H- + OD- = FeOH[18O]T[18O]HOD- + 4 OH- +Fe(OH)4- + OH- + [18O]T- + [18O]D- + OH- = FeOH[18O]T[18O]DOH- + 4 OH- +Fe(OH)4- + OD- + OH- + OH- + OH- = FeODOHOHOH- + 4 OH- +Fe(OH)4- + OD- + OH- + OH- + OD- = FeODOHOHOD- + 4 OH- +Fe(OH)4- + OD- + OH- + OH- + OT- = FeODOHOHOT- + 4 OH- +Fe(OH)4- + OD- + OH- + OH- + [18O]H- = FeODOHOH[18O]H- + 4 OH- +Fe(OH)4- + OD- + OH- + OH- + [18O]D- = FeODOHOH[18O]D- + 4 OH- +Fe(OH)4- + OD- + OH- + OH- + [18O]T- = FeODOHOH[18O]T- + 4 OH- +Fe(OH)4- + OD- + OH- + OD- + OH- = FeODOHODOH- + 4 OH- +Fe(OH)4- + OD- + OH- + OD- + OT- = FeODOHODOT- + 4 OH- +Fe(OH)4- + OD- + OH- + OD- + [18O]H- = FeODOHOD[18O]H- + 4 OH- +Fe(OH)4- + OD- + OH- + OD- + [18O]T- = FeODOHOD[18O]T- + 4 OH- +Fe(OH)4- + OD- + OH- + OT- + OH- = FeODOHOTOH- + 4 OH- +Fe(OH)4- + OD- + OH- + OT- + OD- = FeODOHOTOD- + 4 OH- +Fe(OH)4- + OD- + OH- + OT- + [18O]H- = FeODOHOT[18O]H- + 4 OH- +Fe(OH)4- + OD- + OH- + OT- + [18O]D- = FeODOHOT[18O]D- + 4 OH- +Fe(OH)4- + OD- + OH- + [18O]H- + OH- = FeODOH[18O]HOH- + 4 OH- +Fe(OH)4- + OD- + OH- + [18O]H- + OD- = FeODOH[18O]HOD- + 4 OH- +Fe(OH)4- + OD- + OH- + [18O]H- + OT- = FeODOH[18O]HOT- + 4 OH- +Fe(OH)4- + OD- + OH- + [18O]H- + [18O]H- = FeODOH[18O]H[18O]H- + 4 OH- +Fe(OH)4- + OD- + OH- + [18O]H- + [18O]D- = FeODOH[18O]H[18O]D- + 4 OH- +Fe(OH)4- + OD- + OH- + [18O]H- + [18O]T- = FeODOH[18O]H[18O]T- + 4 OH- +Fe(OH)4- + OD- + OH- + [18O]D- + OH- = FeODOH[18O]DOH- + 4 OH- +Fe(OH)4- + OD- + OH- + [18O]D- + OT- = FeODOH[18O]DOT- + 4 OH- +Fe(OH)4- + OD- + OH- + [18O]D- + [18O]H- = FeODOH[18O]D[18O]H- + 4 OH- +Fe(OH)4- + OD- + OH- + [18O]T- + OH- = FeODOH[18O]TOH- + 4 OH- +Fe(OH)4- + OD- + OH- + [18O]T- + OD- = FeODOH[18O]TOD- + 4 OH- +Fe(OH)4- + OD- + OH- + [18O]T- + [18O]H- = FeODOH[18O]T[18O]H- + 4 OH- +Fe(OH)4- + OD- + OD- + OH- + OH- = FeODODOHOH- + 4 OH- +Fe(OH)4- + OD- + OD- + OH- + OT- = FeODODOHOT- + 4 OH- +Fe(OH)4- + OD- + OD- + OH- + [18O]H- = FeODODOH[18O]H- + 4 OH- +Fe(OH)4- + OD- + OD- + OH- + [18O]T- = FeODODOH[18O]T- + 4 OH- +Fe(OH)4- + OD- + OD- + OT- + OH- = FeODODOTOH- + 4 OH- +Fe(OH)4- + OD- + OD- + OT- + [18O]H- = FeODODOT[18O]H- + 4 OH- +Fe(OH)4- + OD- + OD- + [18O]H- + OH- = FeODOD[18O]HOH- + 4 OH- +Fe(OH)4- + OD- + OD- + [18O]H- + OT- = FeODOD[18O]HOT- + 4 OH- +Fe(OH)4- + OD- + OD- + [18O]H- + [18O]H- = FeODOD[18O]H[18O]H- + 4 OH- +Fe(OH)4- + OD- + OD- + [18O]T- + OH- = FeODOD[18O]TOH- + 4 OH- +Fe(OH)4- + OD- + OT- + OH- + OH- = FeODOTOHOH- + 4 OH- +Fe(OH)4- + OD- + OT- + OH- + OD- = FeODOTOHOD- + 4 OH- +Fe(OH)4- + OD- + OT- + OH- + [18O]H- = FeODOTOH[18O]H- + 4 OH- +Fe(OH)4- + OD- + OT- + OH- + [18O]D- = FeODOTOH[18O]D- + 4 OH- +Fe(OH)4- + OD- + OT- + OD- + OH- = FeODOTODOH- + 4 OH- +Fe(OH)4- + OD- + OT- + OD- + [18O]H- = FeODOTOD[18O]H- + 4 OH- +Fe(OH)4- + OD- + OT- + [18O]H- + OH- = FeODOT[18O]HOH- + 4 OH- +Fe(OH)4- + OD- + OT- + [18O]H- + OD- = FeODOT[18O]HOD- + 4 OH- +Fe(OH)4- + OD- + OT- + [18O]H- + [18O]H- = FeODOT[18O]H[18O]H- + 4 OH- +Fe(OH)4- + OD- + OT- + [18O]D- + OH- = FeODOT[18O]DOH- + 4 OH- +Fe(OH)4- + OD- + [18O]H- + OH- + OH- = FeOD[18O]HOHOH- + 4 OH- +Fe(OH)4- + OD- + [18O]H- + OH- + OD- = FeOD[18O]HOHOD- + 4 OH- +Fe(OH)4- + OD- + [18O]H- + OH- + OT- = FeOD[18O]HOHOT- + 4 OH- +Fe(OH)4- + OD- + [18O]H- + OH- + [18O]H- = FeOD[18O]HOH[18O]H- + 4 OH- +Fe(OH)4- + OD- + [18O]H- + OH- + [18O]D- = FeOD[18O]HOH[18O]D- + 4 OH- +Fe(OH)4- + OD- + [18O]H- + OH- + [18O]T- = FeOD[18O]HOH[18O]T- + 4 OH- +Fe(OH)4- + OD- + [18O]H- + OD- + OH- = FeOD[18O]HODOH- + 4 OH- +Fe(OH)4- + OD- + [18O]H- + OD- + OT- = FeOD[18O]HODOT- + 4 OH- +Fe(OH)4- + OD- + [18O]H- + OD- + [18O]H- = FeOD[18O]HOD[18O]H- + 4 OH- +Fe(OH)4- + OD- + [18O]H- + OT- + OH- = FeOD[18O]HOTOH- + 4 OH- +Fe(OH)4- + OD- + [18O]H- + OT- + OD- = FeOD[18O]HOTOD- + 4 OH- +Fe(OH)4- + OD- + [18O]H- + OT- + [18O]H- = FeOD[18O]HOT[18O]H- + 4 OH- +Fe(OH)4- + OD- + [18O]H- + [18O]H- + OH- = FeOD[18O]H[18O]HOH- + 4 OH- +Fe(OH)4- + OD- + [18O]H- + [18O]H- + OD- = FeOD[18O]H[18O]HOD- + 4 OH- +Fe(OH)4- + OD- + [18O]H- + [18O]H- + OT- = FeOD[18O]H[18O]HOT- + 4 OH- +Fe(OH)4- + OD- + [18O]H- + [18O]D- + OH- = FeOD[18O]H[18O]DOH- + 4 OH- +Fe(OH)4- + OD- + [18O]H- + [18O]T- + OH- = FeOD[18O]H[18O]TOH- + 4 OH- +Fe(OH)4- + OD- + [18O]D- + OH- + OH- = FeOD[18O]DOHOH- + 4 OH- +Fe(OH)4- + OD- + [18O]D- + OH- + OT- = FeOD[18O]DOHOT- + 4 OH- +Fe(OH)4- + OD- + [18O]D- + OH- + [18O]H- = FeOD[18O]DOH[18O]H- + 4 OH- +Fe(OH)4- + OD- + [18O]D- + OT- + OH- = FeOD[18O]DOTOH- + 4 OH- +Fe(OH)4- + OD- + [18O]D- + [18O]H- + OH- = FeOD[18O]D[18O]HOH- + 4 OH- +Fe(OH)4- + OD- + [18O]T- + OH- + OH- = FeOD[18O]TOHOH- + 4 OH- +Fe(OH)4- + OD- + [18O]T- + OH- + OD- = FeOD[18O]TOHOD- + 4 OH- +Fe(OH)4- + OD- + [18O]T- + OH- + [18O]H- = FeOD[18O]TOH[18O]H- + 4 OH- +Fe(OH)4- + OD- + [18O]T- + OD- + OH- = FeOD[18O]TODOH- + 4 OH- +Fe(OH)4- + OD- + [18O]T- + [18O]H- + OH- = FeOD[18O]T[18O]HOH- + 4 OH- +Fe(OH)4- + OT- + OH- + OH- + OH- = FeOTOHOHOH- + 4 OH- +Fe(OH)4- + OT- + OH- + OH- + OD- = FeOTOHOHOD- + 4 OH- +Fe(OH)4- + OT- + OH- + OH- + [18O]H- = FeOTOHOH[18O]H- + 4 OH- +Fe(OH)4- + OT- + OH- + OH- + [18O]D- = FeOTOHOH[18O]D- + 4 OH- +Fe(OH)4- + OT- + OH- + OD- + OH- = FeOTOHODOH- + 4 OH- +Fe(OH)4- + OT- + OH- + OD- + OD- = FeOTOHODOD- + 4 OH- +Fe(OH)4- + OT- + OH- + OD- + [18O]H- = FeOTOHOD[18O]H- + 4 OH- +Fe(OH)4- + OT- + OH- + OD- + [18O]D- = FeOTOHOD[18O]D- + 4 OH- +Fe(OH)4- + OT- + OH- + [18O]H- + OH- = FeOTOH[18O]HOH- + 4 OH- +Fe(OH)4- + OT- + OH- + [18O]H- + OD- = FeOTOH[18O]HOD- + 4 OH- +Fe(OH)4- + OT- + OH- + [18O]H- + [18O]H- = FeOTOH[18O]H[18O]H- + 4 OH- +Fe(OH)4- + OT- + OH- + [18O]H- + [18O]D- = FeOTOH[18O]H[18O]D- + 4 OH- +Fe(OH)4- + OT- + OH- + [18O]D- + OH- = FeOTOH[18O]DOH- + 4 OH- +Fe(OH)4- + OT- + OH- + [18O]D- + OD- = FeOTOH[18O]DOD- + 4 OH- +Fe(OH)4- + OT- + OH- + [18O]D- + [18O]H- = FeOTOH[18O]D[18O]H- + 4 OH- +Fe(OH)4- + OT- + OD- + OH- + OH- = FeOTODOHOH- + 4 OH- +Fe(OH)4- + OT- + OD- + OH- + OD- = FeOTODOHOD- + 4 OH- +Fe(OH)4- + OT- + OD- + OH- + [18O]H- = FeOTODOH[18O]H- + 4 OH- +Fe(OH)4- + OT- + OD- + OH- + [18O]D- = FeOTODOH[18O]D- + 4 OH- +Fe(OH)4- + OT- + OD- + OD- + OH- = FeOTODODOH- + 4 OH- +Fe(OH)4- + OT- + OD- + OD- + [18O]H- = FeOTODOD[18O]H- + 4 OH- +Fe(OH)4- + OT- + OD- + [18O]H- + OH- = FeOTOD[18O]HOH- + 4 OH- +Fe(OH)4- + OT- + OD- + [18O]H- + OD- = FeOTOD[18O]HOD- + 4 OH- +Fe(OH)4- + OT- + OD- + [18O]H- + [18O]H- = FeOTOD[18O]H[18O]H- + 4 OH- +Fe(OH)4- + OT- + OD- + [18O]D- + OH- = FeOTOD[18O]DOH- + 4 OH- +Fe(OH)4- + OT- + [18O]H- + OH- + OH- = FeOT[18O]HOHOH- + 4 OH- +Fe(OH)4- + OT- + [18O]H- + OH- + OD- = FeOT[18O]HOHOD- + 4 OH- +Fe(OH)4- + OT- + [18O]H- + OH- + [18O]H- = FeOT[18O]HOH[18O]H- + 4 OH- +Fe(OH)4- + OT- + [18O]H- + OH- + [18O]D- = FeOT[18O]HOH[18O]D- + 4 OH- +Fe(OH)4- + OT- + [18O]H- + OD- + OH- = FeOT[18O]HODOH- + 4 OH- +Fe(OH)4- + OT- + [18O]H- + OD- + OD- = FeOT[18O]HODOD- + 4 OH- +Fe(OH)4- + OT- + [18O]H- + OD- + [18O]H- = FeOT[18O]HOD[18O]H- + 4 OH- +Fe(OH)4- + OT- + [18O]H- + [18O]H- + OH- = FeOT[18O]H[18O]HOH- + 4 OH- +Fe(OH)4- + OT- + [18O]H- + [18O]H- + OD- = FeOT[18O]H[18O]HOD- + 4 OH- +Fe(OH)4- + OT- + [18O]H- + [18O]D- + OH- = FeOT[18O]H[18O]DOH- + 4 OH- +Fe(OH)4- + OT- + [18O]D- + OH- + OH- = FeOT[18O]DOHOH- + 4 OH- +Fe(OH)4- + OT- + [18O]D- + OH- + OD- = FeOT[18O]DOHOD- + 4 OH- +Fe(OH)4- + OT- + [18O]D- + OH- + [18O]H- = FeOT[18O]DOH[18O]H- + 4 OH- +Fe(OH)4- + OT- + [18O]D- + OD- + OH- = FeOT[18O]DODOH- + 4 OH- +Fe(OH)4- + OT- + [18O]D- + [18O]H- + OH- = FeOT[18O]D[18O]HOH- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + OH- + OH- = Fe[18O]HOHOHOH- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + OH- + OD- = Fe[18O]HOHOHOD- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + OH- + OT- = Fe[18O]HOHOHOT- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + OH- + [18O]H- = Fe[18O]HOHOH[18O]H- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + OH- + [18O]D- = Fe[18O]HOHOH[18O]D- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + OH- + [18O]T- = Fe[18O]HOHOH[18O]T- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + OD- + OH- = Fe[18O]HOHODOH- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + OD- + OD- = Fe[18O]HOHODOD- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + OD- + OT- = Fe[18O]HOHODOT- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + OD- + [18O]H- = Fe[18O]HOHOD[18O]H- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + OD- + [18O]D- = Fe[18O]HOHOD[18O]D- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + OD- + [18O]T- = Fe[18O]HOHOD[18O]T- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + OT- + OH- = Fe[18O]HOHOTOH- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + OT- + OD- = Fe[18O]HOHOTOD- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + OT- + [18O]H- = Fe[18O]HOHOT[18O]H- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + OT- + [18O]D- = Fe[18O]HOHOT[18O]D- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + [18O]H- + OH- = Fe[18O]HOH[18O]HOH- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + [18O]H- + OD- = Fe[18O]HOH[18O]HOD- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + [18O]H- + OT- = Fe[18O]HOH[18O]HOT- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + [18O]D- + OH- = Fe[18O]HOH[18O]DOH- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + [18O]D- + OD- = Fe[18O]HOH[18O]DOD- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + [18O]D- + OT- = Fe[18O]HOH[18O]DOT- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + [18O]T- + OH- = Fe[18O]HOH[18O]TOH- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + [18O]T- + OD- = Fe[18O]HOH[18O]TOD- + 4 OH- +Fe(OH)4- + [18O]H- + OD- + OH- + OH- = Fe[18O]HODOHOH- + 4 OH- +Fe(OH)4- + [18O]H- + OD- + OH- + OD- = Fe[18O]HODOHOD- + 4 OH- +Fe(OH)4- + [18O]H- + OD- + OH- + OT- = Fe[18O]HODOHOT- + 4 OH- +Fe(OH)4- + [18O]H- + OD- + OH- + [18O]H- = Fe[18O]HODOH[18O]H- + 4 OH- +Fe(OH)4- + [18O]H- + OD- + OH- + [18O]D- = Fe[18O]HODOH[18O]D- + 4 OH- +Fe(OH)4- + [18O]H- + OD- + OH- + [18O]T- = Fe[18O]HODOH[18O]T- + 4 OH- +Fe(OH)4- + [18O]H- + OD- + OD- + OH- = Fe[18O]HODODOH- + 4 OH- +Fe(OH)4- + [18O]H- + OD- + OD- + OT- = Fe[18O]HODODOT- + 4 OH- +Fe(OH)4- + [18O]H- + OD- + OD- + [18O]H- = Fe[18O]HODOD[18O]H- + 4 OH- +Fe(OH)4- + [18O]H- + OD- + OT- + OH- = Fe[18O]HODOTOH- + 4 OH- +Fe(OH)4- + [18O]H- + OD- + OT- + OD- = Fe[18O]HODOTOD- + 4 OH- +Fe(OH)4- + [18O]H- + OD- + OT- + [18O]H- = Fe[18O]HODOT[18O]H- + 4 OH- +Fe(OH)4- + [18O]H- + OD- + [18O]H- + OH- = Fe[18O]HOD[18O]HOH- + 4 OH- +Fe(OH)4- + [18O]H- + OD- + [18O]H- + OD- = Fe[18O]HOD[18O]HOD- + 4 OH- +Fe(OH)4- + [18O]H- + OD- + [18O]H- + OT- = Fe[18O]HOD[18O]HOT- + 4 OH- +Fe(OH)4- + [18O]H- + OD- + [18O]D- + OH- = Fe[18O]HOD[18O]DOH- + 4 OH- +Fe(OH)4- + [18O]H- + OD- + [18O]T- + OH- = Fe[18O]HOD[18O]TOH- + 4 OH- +Fe(OH)4- + [18O]H- + OT- + OH- + OH- = Fe[18O]HOTOHOH- + 4 OH- +Fe(OH)4- + [18O]H- + OT- + OH- + OD- = Fe[18O]HOTOHOD- + 4 OH- +Fe(OH)4- + [18O]H- + OT- + OH- + [18O]H- = Fe[18O]HOTOH[18O]H- + 4 OH- +Fe(OH)4- + [18O]H- + OT- + OH- + [18O]D- = Fe[18O]HOTOH[18O]D- + 4 OH- +Fe(OH)4- + [18O]H- + OT- + OD- + OH- = Fe[18O]HOTODOH- + 4 OH- +Fe(OH)4- + [18O]H- + OT- + OD- + OD- = Fe[18O]HOTODOD- + 4 OH- +Fe(OH)4- + [18O]H- + OT- + OD- + [18O]H- = Fe[18O]HOTOD[18O]H- + 4 OH- +Fe(OH)4- + [18O]H- + OT- + [18O]H- + OH- = Fe[18O]HOT[18O]HOH- + 4 OH- +Fe(OH)4- + [18O]H- + OT- + [18O]H- + OD- = Fe[18O]HOT[18O]HOD- + 4 OH- +Fe(OH)4- + [18O]H- + OT- + [18O]D- + OH- = Fe[18O]HOT[18O]DOH- + 4 OH- +Fe(OH)4- + [18O]H- + [18O]H- + OH- + OH- = Fe[18O]H[18O]HOHOH- + 4 OH- +Fe(OH)4- + [18O]H- + [18O]H- + OH- + OD- = Fe[18O]H[18O]HOHOD- + 4 OH- +Fe(OH)4- + [18O]H- + [18O]H- + OH- + OT- = Fe[18O]H[18O]HOHOT- + 4 OH- +Fe(OH)4- + [18O]H- + [18O]H- + OD- + OH- = Fe[18O]H[18O]HODOH- + 4 OH- +Fe(OH)4- + [18O]H- + [18O]H- + OD- + OD- = Fe[18O]H[18O]HODOD- + 4 OH- +Fe(OH)4- + [18O]H- + [18O]H- + OD- + OT- = Fe[18O]H[18O]HODOT- + 4 OH- +Fe(OH)4- + [18O]H- + [18O]H- + OT- + OH- = Fe[18O]H[18O]HOTOH- + 4 OH- +Fe(OH)4- + [18O]H- + [18O]H- + OT- + OD- = Fe[18O]H[18O]HOTOD- + 4 OH- +Fe(OH)4- + [18O]H- + [18O]D- + OH- + OH- = Fe[18O]H[18O]DOHOH- + 4 OH- +Fe(OH)4- + [18O]H- + [18O]D- + OH- + OD- = Fe[18O]H[18O]DOHOD- + 4 OH- +Fe(OH)4- + [18O]H- + [18O]D- + OH- + OT- = Fe[18O]H[18O]DOHOT- + 4 OH- +Fe(OH)4- + [18O]H- + [18O]D- + OD- + OH- = Fe[18O]H[18O]DODOH- + 4 OH- +Fe(OH)4- + [18O]H- + [18O]D- + OT- + OH- = Fe[18O]H[18O]DOTOH- + 4 OH- +Fe(OH)4- + [18O]H- + [18O]T- + OH- + OH- = Fe[18O]H[18O]TOHOH- + 4 OH- +Fe(OH)4- + [18O]H- + [18O]T- + OH- + OD- = Fe[18O]H[18O]TOHOD- + 4 OH- +Fe(OH)4- + [18O]H- + [18O]T- + OD- + OH- = Fe[18O]H[18O]TODOH- + 4 OH- +Fe(OH)4- + [18O]D- + OH- + OH- + OH- = Fe[18O]DOHOHOH- + 4 OH- +Fe(OH)4- + [18O]D- + OH- + OH- + OD- = Fe[18O]DOHOHOD- + 4 OH- +Fe(OH)4- + [18O]D- + OH- + OH- + OT- = Fe[18O]DOHOHOT- + 4 OH- +Fe(OH)4- + [18O]D- + OH- + OH- + [18O]H- = Fe[18O]DOHOH[18O]H- + 4 OH- +Fe(OH)4- + [18O]D- + OH- + OH- + [18O]D- = Fe[18O]DOHOH[18O]D- + 4 OH- +Fe(OH)4- + [18O]D- + OH- + OH- + [18O]T- = Fe[18O]DOHOH[18O]T- + 4 OH- +Fe(OH)4- + [18O]D- + OH- + OD- + OH- = Fe[18O]DOHODOH- + 4 OH- +Fe(OH)4- + [18O]D- + OH- + OD- + OT- = Fe[18O]DOHODOT- + 4 OH- +Fe(OH)4- + [18O]D- + OH- + OD- + [18O]H- = Fe[18O]DOHOD[18O]H- + 4 OH- +Fe(OH)4- + [18O]D- + OH- + OT- + OH- = Fe[18O]DOHOTOH- + 4 OH- +Fe(OH)4- + [18O]D- + OH- + OT- + OD- = Fe[18O]DOHOTOD- + 4 OH- +Fe(OH)4- + [18O]D- + OH- + OT- + [18O]H- = Fe[18O]DOHOT[18O]H- + 4 OH- +Fe(OH)4- + [18O]D- + OH- + [18O]H- + OH- = Fe[18O]DOH[18O]HOH- + 4 OH- +Fe(OH)4- + [18O]D- + OH- + [18O]H- + OD- = Fe[18O]DOH[18O]HOD- + 4 OH- +Fe(OH)4- + [18O]D- + OH- + [18O]H- + OT- = Fe[18O]DOH[18O]HOT- + 4 OH- +Fe(OH)4- + [18O]D- + OH- + [18O]D- + OH- = Fe[18O]DOH[18O]DOH- + 4 OH- +Fe(OH)4- + [18O]D- + OH- + [18O]T- + OH- = Fe[18O]DOH[18O]TOH- + 4 OH- +Fe(OH)4- + [18O]D- + OD- + OH- + OH- = Fe[18O]DODOHOH- + 4 OH- +Fe(OH)4- + [18O]D- + OD- + OH- + OT- = Fe[18O]DODOHOT- + 4 OH- +Fe(OH)4- + [18O]D- + OD- + OH- + [18O]H- = Fe[18O]DODOH[18O]H- + 4 OH- +Fe(OH)4- + [18O]D- + OD- + OT- + OH- = Fe[18O]DODOTOH- + 4 OH- +Fe(OH)4- + [18O]D- + OD- + [18O]H- + OH- = Fe[18O]DOD[18O]HOH- + 4 OH- +Fe(OH)4- + [18O]D- + OT- + OH- + OH- = Fe[18O]DOTOHOH- + 4 OH- +Fe(OH)4- + [18O]D- + OT- + OH- + OD- = Fe[18O]DOTOHOD- + 4 OH- +Fe(OH)4- + [18O]D- + OT- + OH- + [18O]H- = Fe[18O]DOTOH[18O]H- + 4 OH- +Fe(OH)4- + [18O]D- + OT- + OD- + OH- = Fe[18O]DOTODOH- + 4 OH- +Fe(OH)4- + [18O]D- + OT- + [18O]H- + OH- = Fe[18O]DOT[18O]HOH- + 4 OH- +Fe(OH)4- + [18O]D- + [18O]H- + OH- + OH- = Fe[18O]D[18O]HOHOH- + 4 OH- +Fe(OH)4- + [18O]D- + [18O]H- + OH- + OD- = Fe[18O]D[18O]HOHOD- + 4 OH- +Fe(OH)4- + [18O]D- + [18O]H- + OH- + OT- = Fe[18O]D[18O]HOHOT- + 4 OH- +Fe(OH)4- + [18O]D- + [18O]H- + OD- + OH- = Fe[18O]D[18O]HODOH- + 4 OH- +Fe(OH)4- + [18O]D- + [18O]H- + OT- + OH- = Fe[18O]D[18O]HOTOH- + 4 OH- +Fe(OH)4- + [18O]D- + [18O]D- + OH- + OH- = Fe[18O]D[18O]DOHOH- + 4 OH- +Fe(OH)4- + [18O]D- + [18O]T- + OH- + OH- = Fe[18O]D[18O]TOHOH- + 4 OH- +Fe(OH)4- + [18O]T- + OH- + OH- + OH- = Fe[18O]TOHOHOH- + 4 OH- +Fe(OH)4- + [18O]T- + OH- + OH- + OD- = Fe[18O]TOHOHOD- + 4 OH- +Fe(OH)4- + [18O]T- + OH- + OH- + [18O]H- = Fe[18O]TOHOH[18O]H- + 4 OH- +Fe(OH)4- + [18O]T- + OH- + OH- + [18O]D- = Fe[18O]TOHOH[18O]D- + 4 OH- +Fe(OH)4- + [18O]T- + OH- + OD- + OH- = Fe[18O]TOHODOH- + 4 OH- +Fe(OH)4- + [18O]T- + OH- + OD- + OD- = Fe[18O]TOHODOD- + 4 OH- +Fe(OH)4- + [18O]T- + OH- + OD- + [18O]H- = Fe[18O]TOHOD[18O]H- + 4 OH- +Fe(OH)4- + [18O]T- + OH- + [18O]H- + OH- = Fe[18O]TOH[18O]HOH- + 4 OH- +Fe(OH)4- + [18O]T- + OH- + [18O]H- + OD- = Fe[18O]TOH[18O]HOD- + 4 OH- +Fe(OH)4- + [18O]T- + OH- + [18O]D- + OH- = Fe[18O]TOH[18O]DOH- + 4 OH- +Fe(OH)4- + [18O]T- + OD- + OH- + OH- = Fe[18O]TODOHOH- + 4 OH- +Fe(OH)4- + [18O]T- + OD- + OH- + OD- = Fe[18O]TODOHOD- + 4 OH- +Fe(OH)4- + [18O]T- + OD- + OH- + [18O]H- = Fe[18O]TODOH[18O]H- + 4 OH- +Fe(OH)4- + [18O]T- + OD- + OD- + OH- = Fe[18O]TODODOH- + 4 OH- +Fe(OH)4- + [18O]T- + OD- + [18O]H- + OH- = Fe[18O]TOD[18O]HOH- + 4 OH- +Fe(OH)4- + [18O]T- + [18O]H- + OH- + OH- = Fe[18O]T[18O]HOHOH- + 4 OH- +Fe(OH)4- + [18O]T- + [18O]H- + OH- + OD- = Fe[18O]T[18O]HOHOD- + 4 OH- +Fe(OH)4- + [18O]T- + [18O]H- + OD- + OH- = Fe[18O]T[18O]HODOH- + 4 OH- +Fe(OH)4- + [18O]T- + [18O]D- + OH- + OH- = Fe[18O]T[18O]DOHOH- + 4 OH- # # Added Fe2(OH)2+4 reactions 16Dec09 # Revised 17Dec09, limited the number of species # -Fe2(OH)2+4 + OH- + OD- = Fe2OHOD+4 + 2OH- -Fe2(OH)2+4 + OH- + OT- = Fe2OHOT+4 + 2OH- -Fe2(OH)2+4 + OH- + [18O]H- = Fe2OH[18O]H+4 + 2OH- -Fe2(OH)2+4 + OH- + [18O]D- = Fe2OH[18O]D+4 + 2OH- -Fe2(OH)2+4 + OH- + [18O]T- = Fe2OH[18O]T+4 + 2OH- -Fe2(OH)2+4 + OD- + OH- = Fe2ODOH+4 + 2OH- -Fe2(OH)2+4 + OD- + OD- = Fe2ODOD+4 + 2OH- -Fe2(OH)2+4 + OD- + OT- = Fe2ODOT+4 + 2OH- -Fe2(OH)2+4 + OD- + [18O]H- = Fe2OD[18O]H+4 + 2OH- -Fe2(OH)2+4 + OD- + [18O]D- = Fe2OD[18O]D+4 + 2OH- -Fe2(OH)2+4 + OD- + [18O]T- = Fe2OD[18O]T+4 + 2OH- -Fe2(OH)2+4 + OT- + OH- = Fe2OTOH+4 + 2OH- -Fe2(OH)2+4 + OT- + OD- = Fe2OTOD+4 + 2OH- -Fe2(OH)2+4 + OT- + [18O]H- = Fe2OT[18O]H+4 + 2OH- -Fe2(OH)2+4 + OT- + [18O]D- = Fe2OT[18O]D+4 + 2OH- -Fe2(OH)2+4 + [18O]H- + OH- = Fe2[18O]HOH+4 + 2OH- -Fe2(OH)2+4 + [18O]H- + OD- = Fe2[18O]HOD+4 + 2OH- -Fe2(OH)2+4 + [18O]H- + OT- = Fe2[18O]HOT+4 + 2OH- -Fe2(OH)2+4 + [18O]H- + [18O]H- = Fe2[18O]H[18O]H+4 + 2OH- -Fe2(OH)2+4 + [18O]H- + [18O]D- = Fe2[18O]H[18O]D+4 + 2OH- -Fe2(OH)2+4 + [18O]H- + [18O]T- = Fe2[18O]H[18O]T+4 + 2OH- -Fe2(OH)2+4 + [18O]D- + OH- = Fe2[18O]DOH+4 + 2OH- -Fe2(OH)2+4 + [18O]D- + OD- = Fe2[18O]DOD+4 + 2OH- -Fe2(OH)2+4 + [18O]D- + OT- = Fe2[18O]DOT+4 + 2OH- -Fe2(OH)2+4 + [18O]D- + [18O]H- = Fe2[18O]D[18O]H+4 + 2OH- -Fe2(OH)2+4 + [18O]D- + [18O]D- = Fe2[18O]D[18O]D+4 + 2OH- -Fe2(OH)2+4 + [18O]D- + [18O]T- = Fe2[18O]D[18O]T+4 + 2OH- -Fe2(OH)2+4 + [18O]T- + OH- = Fe2[18O]TOH+4 + 2OH- -Fe2(OH)2+4 + [18O]T- + OD- = Fe2[18O]TOD+4 + 2OH- -Fe2(OH)2+4 + [18O]T- + [18O]H- = Fe2[18O]T[18O]H+4 + 2OH- -Fe2(OH)2+4 + [18O]T- + [18O]D- = Fe2[18O]T[18O]D+4 + 2OH- +Fe2(OH)2+4 + OH- + OD- = Fe2OHOD+4 + 2 OH- +Fe2(OH)2+4 + OH- + OT- = Fe2OHOT+4 + 2 OH- +Fe2(OH)2+4 + OH- + [18O]H- = Fe2OH[18O]H+4 + 2 OH- +Fe2(OH)2+4 + OH- + [18O]D- = Fe2OH[18O]D+4 + 2 OH- +Fe2(OH)2+4 + OH- + [18O]T- = Fe2OH[18O]T+4 + 2 OH- +Fe2(OH)2+4 + OD- + OH- = Fe2ODOH+4 + 2 OH- +Fe2(OH)2+4 + OD- + OD- = Fe2ODOD+4 + 2 OH- +Fe2(OH)2+4 + OD- + OT- = Fe2ODOT+4 + 2 OH- +Fe2(OH)2+4 + OD- + [18O]H- = Fe2OD[18O]H+4 + 2 OH- +Fe2(OH)2+4 + OD- + [18O]D- = Fe2OD[18O]D+4 + 2 OH- +Fe2(OH)2+4 + OD- + [18O]T- = Fe2OD[18O]T+4 + 2 OH- +Fe2(OH)2+4 + OT- + OH- = Fe2OTOH+4 + 2 OH- +Fe2(OH)2+4 + OT- + OD- = Fe2OTOD+4 + 2 OH- +Fe2(OH)2+4 + OT- + [18O]H- = Fe2OT[18O]H+4 + 2 OH- +Fe2(OH)2+4 + OT- + [18O]D- = Fe2OT[18O]D+4 + 2 OH- +Fe2(OH)2+4 + [18O]H- + OH- = Fe2[18O]HOH+4 + 2 OH- +Fe2(OH)2+4 + [18O]H- + OD- = Fe2[18O]HOD+4 + 2 OH- +Fe2(OH)2+4 + [18O]H- + OT- = Fe2[18O]HOT+4 + 2 OH- +Fe2(OH)2+4 + [18O]H- + [18O]H- = Fe2[18O]H[18O]H+4 + 2 OH- +Fe2(OH)2+4 + [18O]H- + [18O]D- = Fe2[18O]H[18O]D+4 + 2 OH- +Fe2(OH)2+4 + [18O]H- + [18O]T- = Fe2[18O]H[18O]T+4 + 2 OH- +Fe2(OH)2+4 + [18O]D- + OH- = Fe2[18O]DOH+4 + 2 OH- +Fe2(OH)2+4 + [18O]D- + OD- = Fe2[18O]DOD+4 + 2 OH- +Fe2(OH)2+4 + [18O]D- + OT- = Fe2[18O]DOT+4 + 2 OH- +Fe2(OH)2+4 + [18O]D- + [18O]H- = Fe2[18O]D[18O]H+4 + 2 OH- +Fe2(OH)2+4 + [18O]D- + [18O]D- = Fe2[18O]D[18O]D+4 + 2 OH- +Fe2(OH)2+4 + [18O]D- + [18O]T- = Fe2[18O]D[18O]T+4 + 2 OH- +Fe2(OH)2+4 + [18O]T- + OH- = Fe2[18O]TOH+4 + 2 OH- +Fe2(OH)2+4 + [18O]T- + OD- = Fe2[18O]TOD+4 + 2 OH- +Fe2(OH)2+4 + [18O]T- + [18O]H- = Fe2[18O]T[18O]H+4 + 2 OH- +Fe2(OH)2+4 + [18O]T- + [18O]D- = Fe2[18O]T[18O]D+4 + 2 OH- # # Added Fe3(OH)4+5 reactions 16Dec09 # Revised 17Dec09, limited the number of species # -Fe3(OH)4+5 + OH- + OH- + OH- + OD- = Fe3OHOHOHOD+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + OH- + OT- = Fe3OHOHOHOT+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + OH- + [18O]H- = Fe3OHOHOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + OH- + [18O]D- = Fe3OHOHOH[18O]D+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + OH- + [18O]T- = Fe3OHOHOH[18O]T+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + OD- + OH- = Fe3OHOHODOH+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + OD- + OD- = Fe3OHOHODOD+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + OD- + OT- = Fe3OHOHODOT+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + OD- + [18O]H- = Fe3OHOHOD[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + OD- + [18O]D- = Fe3OHOHOD[18O]D+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + OD- + [18O]T- = Fe3OHOHOD[18O]T+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + OT- + OH- = Fe3OHOHOTOH+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + OT- + OD- = Fe3OHOHOTOD+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + OT- + [18O]H- = Fe3OHOHOT[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + OT- + [18O]D- = Fe3OHOHOT[18O]D+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + [18O]H- + OH- = Fe3OHOH[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + [18O]H- + OD- = Fe3OHOH[18O]HOD+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + [18O]H- + OT- = Fe3OHOH[18O]HOT+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + [18O]H- + [18O]H- = Fe3OHOH[18O]H[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + [18O]H- + [18O]D- = Fe3OHOH[18O]H[18O]D+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + [18O]H- + [18O]T- = Fe3OHOH[18O]H[18O]T+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + [18O]D- + OH- = Fe3OHOH[18O]DOH+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + [18O]D- + OD- = Fe3OHOH[18O]DOD+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + [18O]D- + OT- = Fe3OHOH[18O]DOT+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + [18O]D- + [18O]H- = Fe3OHOH[18O]D[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + [18O]D- + [18O]D- = Fe3OHOH[18O]D[18O]D+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + [18O]D- + [18O]T- = Fe3OHOH[18O]D[18O]T+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + [18O]T- + OH- = Fe3OHOH[18O]TOH+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + [18O]T- + OD- = Fe3OHOH[18O]TOD+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + [18O]T- + [18O]H- = Fe3OHOH[18O]T[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + [18O]T- + [18O]D- = Fe3OHOH[18O]T[18O]D+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + OH- + OH- = Fe3OHODOHOH+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + OH- + OD- = Fe3OHODOHOD+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + OH- + OT- = Fe3OHODOHOT+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + OH- + [18O]H- = Fe3OHODOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + OH- + [18O]D- = Fe3OHODOH[18O]D+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + OH- + [18O]T- = Fe3OHODOH[18O]T+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + OD- + OH- = Fe3OHODODOH+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + OD- + OT- = Fe3OHODODOT+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + OD- + [18O]H- = Fe3OHODOD[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + OD- + [18O]T- = Fe3OHODOD[18O]T+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + OT- + OH- = Fe3OHODOTOH+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + OT- + OD- = Fe3OHODOTOD+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + OT- + [18O]H- = Fe3OHODOT[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + OT- + [18O]D- = Fe3OHODOT[18O]D+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + [18O]H- + OH- = Fe3OHOD[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + [18O]H- + OD- = Fe3OHOD[18O]HOD+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + [18O]H- + OT- = Fe3OHOD[18O]HOT+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + [18O]H- + [18O]H- = Fe3OHOD[18O]H[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + [18O]H- + [18O]D- = Fe3OHOD[18O]H[18O]D+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + [18O]H- + [18O]T- = Fe3OHOD[18O]H[18O]T+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + [18O]D- + OH- = Fe3OHOD[18O]DOH+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + [18O]D- + OT- = Fe3OHOD[18O]DOT+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + [18O]D- + [18O]H- = Fe3OHOD[18O]D[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + [18O]T- + OH- = Fe3OHOD[18O]TOH+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + [18O]T- + OD- = Fe3OHOD[18O]TOD+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + [18O]T- + [18O]H- = Fe3OHOD[18O]T[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + OT- + OH- + OH- = Fe3OHOTOHOH+5 + 4OH- -Fe3(OH)4+5 + OH- + OT- + OH- + OD- = Fe3OHOTOHOD+5 + 4OH- -Fe3(OH)4+5 + OH- + OT- + OH- + [18O]H- = Fe3OHOTOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + OT- + OH- + [18O]D- = Fe3OHOTOH[18O]D+5 + 4OH- -Fe3(OH)4+5 + OH- + OT- + OD- + OH- = Fe3OHOTODOH+5 + 4OH- -Fe3(OH)4+5 + OH- + OT- + OD- + OD- = Fe3OHOTODOD+5 + 4OH- -Fe3(OH)4+5 + OH- + OT- + OD- + [18O]H- = Fe3OHOTOD[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + OT- + OD- + [18O]D- = Fe3OHOTOD[18O]D+5 + 4OH- -Fe3(OH)4+5 + OH- + OT- + [18O]H- + OH- = Fe3OHOT[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + OH- + OT- + [18O]H- + OD- = Fe3OHOT[18O]HOD+5 + 4OH- -Fe3(OH)4+5 + OH- + OT- + [18O]H- + [18O]H- = Fe3OHOT[18O]H[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + OT- + [18O]H- + [18O]D- = Fe3OHOT[18O]H[18O]D+5 + 4OH- -Fe3(OH)4+5 + OH- + OT- + [18O]D- + OH- = Fe3OHOT[18O]DOH+5 + 4OH- -Fe3(OH)4+5 + OH- + OT- + [18O]D- + OD- = Fe3OHOT[18O]DOD+5 + 4OH- -Fe3(OH)4+5 + OH- + OT- + [18O]D- + [18O]H- = Fe3OHOT[18O]D[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + OH- + OH- = Fe3OH[18O]HOHOH+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + OH- + OD- = Fe3OH[18O]HOHOD+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + OH- + OT- = Fe3OH[18O]HOHOT+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + OH- + [18O]H- = Fe3OH[18O]HOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + OH- + [18O]D- = Fe3OH[18O]HOH[18O]D+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + OH- + [18O]T- = Fe3OH[18O]HOH[18O]T+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + OD- + OH- = Fe3OH[18O]HODOH+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + OD- + OD- = Fe3OH[18O]HODOD+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + OD- + OT- = Fe3OH[18O]HODOT+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + OD- + [18O]H- = Fe3OH[18O]HOD[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + OD- + [18O]D- = Fe3OH[18O]HOD[18O]D+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + OD- + [18O]T- = Fe3OH[18O]HOD[18O]T+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + OT- + OH- = Fe3OH[18O]HOTOH+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + OT- + OD- = Fe3OH[18O]HOTOD+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + OT- + [18O]H- = Fe3OH[18O]HOT[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + OT- + [18O]D- = Fe3OH[18O]HOT[18O]D+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + [18O]H- + OH- = Fe3OH[18O]H[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + [18O]H- + OD- = Fe3OH[18O]H[18O]HOD+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + [18O]H- + OT- = Fe3OH[18O]H[18O]HOT+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + [18O]D- + OH- = Fe3OH[18O]H[18O]DOH+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + [18O]D- + OD- = Fe3OH[18O]H[18O]DOD+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + [18O]D- + OT- = Fe3OH[18O]H[18O]DOT+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + [18O]T- + OH- = Fe3OH[18O]H[18O]TOH+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + [18O]T- + OD- = Fe3OH[18O]H[18O]TOD+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]D- + OH- + OH- = Fe3OH[18O]DOHOH+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]D- + OH- + OD- = Fe3OH[18O]DOHOD+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]D- + OH- + OT- = Fe3OH[18O]DOHOT+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]D- + OH- + [18O]H- = Fe3OH[18O]DOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]D- + OH- + [18O]D- = Fe3OH[18O]DOH[18O]D+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]D- + OH- + [18O]T- = Fe3OH[18O]DOH[18O]T+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]D- + OD- + OH- = Fe3OH[18O]DODOH+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]D- + OD- + OT- = Fe3OH[18O]DODOT+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]D- + OD- + [18O]H- = Fe3OH[18O]DOD[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]D- + OT- + OH- = Fe3OH[18O]DOTOH+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]D- + OT- + OD- = Fe3OH[18O]DOTOD+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]D- + OT- + [18O]H- = Fe3OH[18O]DOT[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]D- + [18O]H- + OH- = Fe3OH[18O]D[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]D- + [18O]H- + OD- = Fe3OH[18O]D[18O]HOD+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]D- + [18O]H- + OT- = Fe3OH[18O]D[18O]HOT+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]D- + [18O]D- + OH- = Fe3OH[18O]D[18O]DOH+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]D- + [18O]T- + OH- = Fe3OH[18O]D[18O]TOH+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]T- + OH- + OH- = Fe3OH[18O]TOHOH+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]T- + OH- + OD- = Fe3OH[18O]TOHOD+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]T- + OH- + [18O]H- = Fe3OH[18O]TOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]T- + OH- + [18O]D- = Fe3OH[18O]TOH[18O]D+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]T- + OD- + OH- = Fe3OH[18O]TODOH+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]T- + OD- + OD- = Fe3OH[18O]TODOD+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]T- + OD- + [18O]H- = Fe3OH[18O]TOD[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]T- + [18O]H- + OH- = Fe3OH[18O]T[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]T- + [18O]H- + OD- = Fe3OH[18O]T[18O]HOD+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]T- + [18O]D- + OH- = Fe3OH[18O]T[18O]DOH+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + OH- + OH- = Fe3ODOHOHOH+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + OH- + OD- = Fe3ODOHOHOD+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + OH- + OT- = Fe3ODOHOHOT+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + OH- + [18O]H- = Fe3ODOHOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + OH- + [18O]D- = Fe3ODOHOH[18O]D+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + OH- + [18O]T- = Fe3ODOHOH[18O]T+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + OD- + OH- = Fe3ODOHODOH+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + OD- + OT- = Fe3ODOHODOT+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + OD- + [18O]H- = Fe3ODOHOD[18O]H+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + OD- + [18O]T- = Fe3ODOHOD[18O]T+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + OT- + OH- = Fe3ODOHOTOH+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + OT- + OD- = Fe3ODOHOTOD+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + OT- + [18O]H- = Fe3ODOHOT[18O]H+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + OT- + [18O]D- = Fe3ODOHOT[18O]D+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + [18O]H- + OH- = Fe3ODOH[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + [18O]H- + OD- = Fe3ODOH[18O]HOD+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + [18O]H- + OT- = Fe3ODOH[18O]HOT+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + [18O]H- + [18O]H- = Fe3ODOH[18O]H[18O]H+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + [18O]H- + [18O]D- = Fe3ODOH[18O]H[18O]D+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + [18O]H- + [18O]T- = Fe3ODOH[18O]H[18O]T+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + [18O]D- + OH- = Fe3ODOH[18O]DOH+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + [18O]D- + OT- = Fe3ODOH[18O]DOT+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + [18O]D- + [18O]H- = Fe3ODOH[18O]D[18O]H+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + [18O]T- + OH- = Fe3ODOH[18O]TOH+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + [18O]T- + OD- = Fe3ODOH[18O]TOD+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + [18O]T- + [18O]H- = Fe3ODOH[18O]T[18O]H+5 + 4OH- -Fe3(OH)4+5 + OD- + OD- + OH- + OH- = Fe3ODODOHOH+5 + 4OH- -Fe3(OH)4+5 + OD- + OD- + OH- + OT- = Fe3ODODOHOT+5 + 4OH- -Fe3(OH)4+5 + OD- + OD- + OH- + [18O]H- = Fe3ODODOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + OD- + OD- + OH- + [18O]T- = Fe3ODODOH[18O]T+5 + 4OH- -Fe3(OH)4+5 + OD- + OD- + OT- + OH- = Fe3ODODOTOH+5 + 4OH- -Fe3(OH)4+5 + OD- + OD- + OT- + [18O]H- = Fe3ODODOT[18O]H+5 + 4OH- -Fe3(OH)4+5 + OD- + OD- + [18O]H- + OH- = Fe3ODOD[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + OD- + OD- + [18O]H- + OT- = Fe3ODOD[18O]HOT+5 + 4OH- -Fe3(OH)4+5 + OD- + OD- + [18O]H- + [18O]H- = Fe3ODOD[18O]H[18O]H+5 + 4OH- -Fe3(OH)4+5 + OD- + OD- + [18O]T- + OH- = Fe3ODOD[18O]TOH+5 + 4OH- -Fe3(OH)4+5 + OD- + OT- + OH- + OH- = Fe3ODOTOHOH+5 + 4OH- -Fe3(OH)4+5 + OD- + OT- + OH- + OD- = Fe3ODOTOHOD+5 + 4OH- -Fe3(OH)4+5 + OD- + OT- + OH- + [18O]H- = Fe3ODOTOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + OD- + OT- + OH- + [18O]D- = Fe3ODOTOH[18O]D+5 + 4OH- -Fe3(OH)4+5 + OD- + OT- + OD- + OH- = Fe3ODOTODOH+5 + 4OH- -Fe3(OH)4+5 + OD- + OT- + OD- + [18O]H- = Fe3ODOTOD[18O]H+5 + 4OH- -Fe3(OH)4+5 + OD- + OT- + [18O]H- + OH- = Fe3ODOT[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + OD- + OT- + [18O]H- + OD- = Fe3ODOT[18O]HOD+5 + 4OH- -Fe3(OH)4+5 + OD- + OT- + [18O]H- + [18O]H- = Fe3ODOT[18O]H[18O]H+5 + 4OH- -Fe3(OH)4+5 + OD- + OT- + [18O]D- + OH- = Fe3ODOT[18O]DOH+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]H- + OH- + OH- = Fe3OD[18O]HOHOH+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]H- + OH- + OD- = Fe3OD[18O]HOHOD+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]H- + OH- + OT- = Fe3OD[18O]HOHOT+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]H- + OH- + [18O]H- = Fe3OD[18O]HOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]H- + OH- + [18O]D- = Fe3OD[18O]HOH[18O]D+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]H- + OH- + [18O]T- = Fe3OD[18O]HOH[18O]T+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]H- + OD- + OH- = Fe3OD[18O]HODOH+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]H- + OD- + OT- = Fe3OD[18O]HODOT+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]H- + OD- + [18O]H- = Fe3OD[18O]HOD[18O]H+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]H- + OT- + OH- = Fe3OD[18O]HOTOH+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]H- + OT- + OD- = Fe3OD[18O]HOTOD+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]H- + OT- + [18O]H- = Fe3OD[18O]HOT[18O]H+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]H- + [18O]H- + OH- = Fe3OD[18O]H[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]H- + [18O]H- + OD- = Fe3OD[18O]H[18O]HOD+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]H- + [18O]H- + OT- = Fe3OD[18O]H[18O]HOT+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]H- + [18O]D- + OH- = Fe3OD[18O]H[18O]DOH+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]H- + [18O]T- + OH- = Fe3OD[18O]H[18O]TOH+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]D- + OH- + OH- = Fe3OD[18O]DOHOH+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]D- + OH- + OT- = Fe3OD[18O]DOHOT+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]D- + OH- + [18O]H- = Fe3OD[18O]DOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]D- + OT- + OH- = Fe3OD[18O]DOTOH+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]D- + [18O]H- + OH- = Fe3OD[18O]D[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]T- + OH- + OH- = Fe3OD[18O]TOHOH+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]T- + OH- + OD- = Fe3OD[18O]TOHOD+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]T- + OH- + [18O]H- = Fe3OD[18O]TOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]T- + OD- + OH- = Fe3OD[18O]TODOH+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]T- + [18O]H- + OH- = Fe3OD[18O]T[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + OT- + OH- + OH- + OH- = Fe3OTOHOHOH+5 + 4OH- -Fe3(OH)4+5 + OT- + OH- + OH- + OD- = Fe3OTOHOHOD+5 + 4OH- -Fe3(OH)4+5 + OT- + OH- + OH- + [18O]H- = Fe3OTOHOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + OT- + OH- + OH- + [18O]D- = Fe3OTOHOH[18O]D+5 + 4OH- -Fe3(OH)4+5 + OT- + OH- + OD- + OH- = Fe3OTOHODOH+5 + 4OH- -Fe3(OH)4+5 + OT- + OH- + OD- + OD- = Fe3OTOHODOD+5 + 4OH- -Fe3(OH)4+5 + OT- + OH- + OD- + [18O]H- = Fe3OTOHOD[18O]H+5 + 4OH- -Fe3(OH)4+5 + OT- + OH- + OD- + [18O]D- = Fe3OTOHOD[18O]D+5 + 4OH- -Fe3(OH)4+5 + OT- + OH- + [18O]H- + OH- = Fe3OTOH[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + OT- + OH- + [18O]H- + OD- = Fe3OTOH[18O]HOD+5 + 4OH- -Fe3(OH)4+5 + OT- + OH- + [18O]H- + [18O]H- = Fe3OTOH[18O]H[18O]H+5 + 4OH- -Fe3(OH)4+5 + OT- + OH- + [18O]H- + [18O]D- = Fe3OTOH[18O]H[18O]D+5 + 4OH- -Fe3(OH)4+5 + OT- + OH- + [18O]D- + OH- = Fe3OTOH[18O]DOH+5 + 4OH- -Fe3(OH)4+5 + OT- + OH- + [18O]D- + OD- = Fe3OTOH[18O]DOD+5 + 4OH- -Fe3(OH)4+5 + OT- + OH- + [18O]D- + [18O]H- = Fe3OTOH[18O]D[18O]H+5 + 4OH- -Fe3(OH)4+5 + OT- + OD- + OH- + OH- = Fe3OTODOHOH+5 + 4OH- -Fe3(OH)4+5 + OT- + OD- + OH- + OD- = Fe3OTODOHOD+5 + 4OH- -Fe3(OH)4+5 + OT- + OD- + OH- + [18O]H- = Fe3OTODOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + OT- + OD- + OH- + [18O]D- = Fe3OTODOH[18O]D+5 + 4OH- -Fe3(OH)4+5 + OT- + OD- + OD- + OH- = Fe3OTODODOH+5 + 4OH- -Fe3(OH)4+5 + OT- + OD- + OD- + [18O]H- = Fe3OTODOD[18O]H+5 + 4OH- -Fe3(OH)4+5 + OT- + OD- + [18O]H- + OH- = Fe3OTOD[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + OT- + OD- + [18O]H- + OD- = Fe3OTOD[18O]HOD+5 + 4OH- -Fe3(OH)4+5 + OT- + OD- + [18O]H- + [18O]H- = Fe3OTOD[18O]H[18O]H+5 + 4OH- -Fe3(OH)4+5 + OT- + OD- + [18O]D- + OH- = Fe3OTOD[18O]DOH+5 + 4OH- -Fe3(OH)4+5 + OT- + [18O]H- + OH- + OH- = Fe3OT[18O]HOHOH+5 + 4OH- -Fe3(OH)4+5 + OT- + [18O]H- + OH- + OD- = Fe3OT[18O]HOHOD+5 + 4OH- -Fe3(OH)4+5 + OT- + [18O]H- + OH- + [18O]H- = Fe3OT[18O]HOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + OT- + [18O]H- + OH- + [18O]D- = Fe3OT[18O]HOH[18O]D+5 + 4OH- -Fe3(OH)4+5 + OT- + [18O]H- + OD- + OH- = Fe3OT[18O]HODOH+5 + 4OH- -Fe3(OH)4+5 + OT- + [18O]H- + OD- + OD- = Fe3OT[18O]HODOD+5 + 4OH- -Fe3(OH)4+5 + OT- + [18O]H- + OD- + [18O]H- = Fe3OT[18O]HOD[18O]H+5 + 4OH- -Fe3(OH)4+5 + OT- + [18O]H- + [18O]H- + OH- = Fe3OT[18O]H[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + OT- + [18O]H- + [18O]H- + OD- = Fe3OT[18O]H[18O]HOD+5 + 4OH- -Fe3(OH)4+5 + OT- + [18O]H- + [18O]D- + OH- = Fe3OT[18O]H[18O]DOH+5 + 4OH- -Fe3(OH)4+5 + OT- + [18O]D- + OH- + OH- = Fe3OT[18O]DOHOH+5 + 4OH- -Fe3(OH)4+5 + OT- + [18O]D- + OH- + OD- = Fe3OT[18O]DOHOD+5 + 4OH- -Fe3(OH)4+5 + OT- + [18O]D- + OH- + [18O]H- = Fe3OT[18O]DOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + OT- + [18O]D- + OD- + OH- = Fe3OT[18O]DODOH+5 + 4OH- -Fe3(OH)4+5 + OT- + [18O]D- + [18O]H- + OH- = Fe3OT[18O]D[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + OH- + OH- = Fe3[18O]HOHOHOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + OH- + OD- = Fe3[18O]HOHOHOD+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + OH- + OT- = Fe3[18O]HOHOHOT+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + OH- + [18O]H- = Fe3[18O]HOHOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + OH- + [18O]D- = Fe3[18O]HOHOH[18O]D+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + OH- + [18O]T- = Fe3[18O]HOHOH[18O]T+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + OD- + OH- = Fe3[18O]HOHODOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + OD- + OD- = Fe3[18O]HOHODOD+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + OD- + OT- = Fe3[18O]HOHODOT+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + OD- + [18O]H- = Fe3[18O]HOHOD[18O]H+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + OD- + [18O]D- = Fe3[18O]HOHOD[18O]D+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + OD- + [18O]T- = Fe3[18O]HOHOD[18O]T+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + OT- + OH- = Fe3[18O]HOHOTOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + OT- + OD- = Fe3[18O]HOHOTOD+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + OT- + [18O]H- = Fe3[18O]HOHOT[18O]H+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + OT- + [18O]D- = Fe3[18O]HOHOT[18O]D+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + [18O]H- + OH- = Fe3[18O]HOH[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + [18O]H- + OD- = Fe3[18O]HOH[18O]HOD+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + [18O]H- + OT- = Fe3[18O]HOH[18O]HOT+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + [18O]D- + OH- = Fe3[18O]HOH[18O]DOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + [18O]D- + OD- = Fe3[18O]HOH[18O]DOD+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + [18O]D- + OT- = Fe3[18O]HOH[18O]DOT+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + [18O]T- + OH- = Fe3[18O]HOH[18O]TOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + [18O]T- + OD- = Fe3[18O]HOH[18O]TOD+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OD- + OH- + OH- = Fe3[18O]HODOHOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OD- + OH- + OD- = Fe3[18O]HODOHOD+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OD- + OH- + OT- = Fe3[18O]HODOHOT+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OD- + OH- + [18O]H- = Fe3[18O]HODOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OD- + OH- + [18O]D- = Fe3[18O]HODOH[18O]D+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OD- + OH- + [18O]T- = Fe3[18O]HODOH[18O]T+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OD- + OD- + OH- = Fe3[18O]HODODOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OD- + OD- + OT- = Fe3[18O]HODODOT+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OD- + OD- + [18O]H- = Fe3[18O]HODOD[18O]H+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OD- + OT- + OH- = Fe3[18O]HODOTOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OD- + OT- + OD- = Fe3[18O]HODOTOD+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OD- + OT- + [18O]H- = Fe3[18O]HODOT[18O]H+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OD- + [18O]H- + OH- = Fe3[18O]HOD[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OD- + [18O]H- + OD- = Fe3[18O]HOD[18O]HOD+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OD- + [18O]H- + OT- = Fe3[18O]HOD[18O]HOT+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OD- + [18O]D- + OH- = Fe3[18O]HOD[18O]DOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OD- + [18O]T- + OH- = Fe3[18O]HOD[18O]TOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OT- + OH- + OH- = Fe3[18O]HOTOHOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OT- + OH- + OD- = Fe3[18O]HOTOHOD+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OT- + OH- + [18O]H- = Fe3[18O]HOTOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OT- + OH- + [18O]D- = Fe3[18O]HOTOH[18O]D+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OT- + OD- + OH- = Fe3[18O]HOTODOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OT- + OD- + OD- = Fe3[18O]HOTODOD+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OT- + OD- + [18O]H- = Fe3[18O]HOTOD[18O]H+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OT- + [18O]H- + OH- = Fe3[18O]HOT[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OT- + [18O]H- + OD- = Fe3[18O]HOT[18O]HOD+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OT- + [18O]D- + OH- = Fe3[18O]HOT[18O]DOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + [18O]H- + OH- + OH- = Fe3[18O]H[18O]HOHOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + [18O]H- + OH- + OD- = Fe3[18O]H[18O]HOHOD+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + [18O]H- + OH- + OT- = Fe3[18O]H[18O]HOHOT+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + [18O]H- + OD- + OH- = Fe3[18O]H[18O]HODOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + [18O]H- + OD- + OD- = Fe3[18O]H[18O]HODOD+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + [18O]H- + OD- + OT- = Fe3[18O]H[18O]HODOT+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + [18O]H- + OT- + OH- = Fe3[18O]H[18O]HOTOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + [18O]H- + OT- + OD- = Fe3[18O]H[18O]HOTOD+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + [18O]D- + OH- + OH- = Fe3[18O]H[18O]DOHOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + [18O]D- + OH- + OD- = Fe3[18O]H[18O]DOHOD+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + [18O]D- + OH- + OT- = Fe3[18O]H[18O]DOHOT+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + [18O]D- + OD- + OH- = Fe3[18O]H[18O]DODOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + [18O]D- + OT- + OH- = Fe3[18O]H[18O]DOTOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + [18O]T- + OH- + OH- = Fe3[18O]H[18O]TOHOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + [18O]T- + OH- + OD- = Fe3[18O]H[18O]TOHOD+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + [18O]T- + OD- + OH- = Fe3[18O]H[18O]TODOH+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OH- + OH- + OH- = Fe3[18O]DOHOHOH+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OH- + OH- + OD- = Fe3[18O]DOHOHOD+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OH- + OH- + OT- = Fe3[18O]DOHOHOT+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OH- + OH- + [18O]H- = Fe3[18O]DOHOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OH- + OH- + [18O]D- = Fe3[18O]DOHOH[18O]D+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OH- + OH- + [18O]T- = Fe3[18O]DOHOH[18O]T+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OH- + OD- + OH- = Fe3[18O]DOHODOH+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OH- + OD- + OT- = Fe3[18O]DOHODOT+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OH- + OD- + [18O]H- = Fe3[18O]DOHOD[18O]H+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OH- + OT- + OH- = Fe3[18O]DOHOTOH+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OH- + OT- + OD- = Fe3[18O]DOHOTOD+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OH- + OT- + [18O]H- = Fe3[18O]DOHOT[18O]H+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OH- + [18O]H- + OH- = Fe3[18O]DOH[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OH- + [18O]H- + OD- = Fe3[18O]DOH[18O]HOD+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OH- + [18O]H- + OT- = Fe3[18O]DOH[18O]HOT+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OH- + [18O]D- + OH- = Fe3[18O]DOH[18O]DOH+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OH- + [18O]T- + OH- = Fe3[18O]DOH[18O]TOH+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OD- + OH- + OH- = Fe3[18O]DODOHOH+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OD- + OH- + OT- = Fe3[18O]DODOHOT+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OD- + OH- + [18O]H- = Fe3[18O]DODOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OD- + OT- + OH- = Fe3[18O]DODOTOH+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OD- + [18O]H- + OH- = Fe3[18O]DOD[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OT- + OH- + OH- = Fe3[18O]DOTOHOH+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OT- + OH- + OD- = Fe3[18O]DOTOHOD+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OT- + OH- + [18O]H- = Fe3[18O]DOTOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OT- + OD- + OH- = Fe3[18O]DOTODOH+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OT- + [18O]H- + OH- = Fe3[18O]DOT[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + [18O]H- + OH- + OH- = Fe3[18O]D[18O]HOHOH+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + [18O]H- + OH- + OD- = Fe3[18O]D[18O]HOHOD+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + [18O]H- + OH- + OT- = Fe3[18O]D[18O]HOHOT+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + [18O]H- + OD- + OH- = Fe3[18O]D[18O]HODOH+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + [18O]H- + OT- + OH- = Fe3[18O]D[18O]HOTOH+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + [18O]D- + OH- + OH- = Fe3[18O]D[18O]DOHOH+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + [18O]T- + OH- + OH- = Fe3[18O]D[18O]TOHOH+5 + 4OH- -Fe3(OH)4+5 + [18O]T- + OH- + OH- + OH- = Fe3[18O]TOHOHOH+5 + 4OH- -Fe3(OH)4+5 + [18O]T- + OH- + OH- + OD- = Fe3[18O]TOHOHOD+5 + 4OH- -Fe3(OH)4+5 + [18O]T- + OH- + OH- + [18O]H- = Fe3[18O]TOHOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + [18O]T- + OH- + OH- + [18O]D- = Fe3[18O]TOHOH[18O]D+5 + 4OH- -Fe3(OH)4+5 + [18O]T- + OH- + OD- + OH- = Fe3[18O]TOHODOH+5 + 4OH- -Fe3(OH)4+5 + [18O]T- + OH- + OD- + OD- = Fe3[18O]TOHODOD+5 + 4OH- -Fe3(OH)4+5 + [18O]T- + OH- + OD- + [18O]H- = Fe3[18O]TOHOD[18O]H+5 + 4OH- -Fe3(OH)4+5 + [18O]T- + OH- + [18O]H- + OH- = Fe3[18O]TOH[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + [18O]T- + OH- + [18O]H- + OD- = Fe3[18O]TOH[18O]HOD+5 + 4OH- -Fe3(OH)4+5 + [18O]T- + OH- + [18O]D- + OH- = Fe3[18O]TOH[18O]DOH+5 + 4OH- -Fe3(OH)4+5 + [18O]T- + OD- + OH- + OH- = Fe3[18O]TODOHOH+5 + 4OH- -Fe3(OH)4+5 + [18O]T- + OD- + OH- + OD- = Fe3[18O]TODOHOD+5 + 4OH- -Fe3(OH)4+5 + [18O]T- + OD- + OH- + [18O]H- = Fe3[18O]TODOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + [18O]T- + OD- + OD- + OH- = Fe3[18O]TODODOH+5 + 4OH- -Fe3(OH)4+5 + [18O]T- + OD- + [18O]H- + OH- = Fe3[18O]TOD[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + [18O]T- + [18O]H- + OH- + OH- = Fe3[18O]T[18O]HOHOH+5 + 4OH- -Fe3(OH)4+5 + [18O]T- + [18O]H- + OH- + OD- = Fe3[18O]T[18O]HOHOD+5 + 4OH- -Fe3(OH)4+5 + [18O]T- + [18O]H- + OD- + OH- = Fe3[18O]T[18O]HODOH+5 + 4OH- -Fe3(OH)4+5 + [18O]T- + [18O]D- + OH- + OH- = Fe3[18O]T[18O]DOHOH+5 + 4OH- +Fe3(OH)4+5 + OH- + OH- + OH- + OD- = Fe3OHOHOHOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + OH- + OT- = Fe3OHOHOHOT+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + OH- + [18O]H- = Fe3OHOHOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + OH- + [18O]D- = Fe3OHOHOH[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + OH- + [18O]T- = Fe3OHOHOH[18O]T+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + OD- + OH- = Fe3OHOHODOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + OD- + OD- = Fe3OHOHODOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + OD- + OT- = Fe3OHOHODOT+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + OD- + [18O]H- = Fe3OHOHOD[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + OD- + [18O]D- = Fe3OHOHOD[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + OD- + [18O]T- = Fe3OHOHOD[18O]T+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + OT- + OH- = Fe3OHOHOTOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + OT- + OD- = Fe3OHOHOTOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + OT- + [18O]H- = Fe3OHOHOT[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + OT- + [18O]D- = Fe3OHOHOT[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + [18O]H- + OH- = Fe3OHOH[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + [18O]H- + OD- = Fe3OHOH[18O]HOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + [18O]H- + OT- = Fe3OHOH[18O]HOT+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + [18O]H- + [18O]H- = Fe3OHOH[18O]H[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + [18O]H- + [18O]D- = Fe3OHOH[18O]H[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + [18O]H- + [18O]T- = Fe3OHOH[18O]H[18O]T+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + [18O]D- + OH- = Fe3OHOH[18O]DOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + [18O]D- + OD- = Fe3OHOH[18O]DOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + [18O]D- + OT- = Fe3OHOH[18O]DOT+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + [18O]D- + [18O]H- = Fe3OHOH[18O]D[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + [18O]D- + [18O]D- = Fe3OHOH[18O]D[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + [18O]D- + [18O]T- = Fe3OHOH[18O]D[18O]T+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + [18O]T- + OH- = Fe3OHOH[18O]TOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + [18O]T- + OD- = Fe3OHOH[18O]TOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + [18O]T- + [18O]H- = Fe3OHOH[18O]T[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + [18O]T- + [18O]D- = Fe3OHOH[18O]T[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + OH- + OH- = Fe3OHODOHOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + OH- + OD- = Fe3OHODOHOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + OH- + OT- = Fe3OHODOHOT+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + OH- + [18O]H- = Fe3OHODOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + OH- + [18O]D- = Fe3OHODOH[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + OH- + [18O]T- = Fe3OHODOH[18O]T+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + OD- + OH- = Fe3OHODODOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + OD- + OT- = Fe3OHODODOT+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + OD- + [18O]H- = Fe3OHODOD[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + OD- + [18O]T- = Fe3OHODOD[18O]T+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + OT- + OH- = Fe3OHODOTOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + OT- + OD- = Fe3OHODOTOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + OT- + [18O]H- = Fe3OHODOT[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + OT- + [18O]D- = Fe3OHODOT[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + [18O]H- + OH- = Fe3OHOD[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + [18O]H- + OD- = Fe3OHOD[18O]HOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + [18O]H- + OT- = Fe3OHOD[18O]HOT+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + [18O]H- + [18O]H- = Fe3OHOD[18O]H[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + [18O]H- + [18O]D- = Fe3OHOD[18O]H[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + [18O]H- + [18O]T- = Fe3OHOD[18O]H[18O]T+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + [18O]D- + OH- = Fe3OHOD[18O]DOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + [18O]D- + OT- = Fe3OHOD[18O]DOT+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + [18O]D- + [18O]H- = Fe3OHOD[18O]D[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + [18O]T- + OH- = Fe3OHOD[18O]TOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + [18O]T- + OD- = Fe3OHOD[18O]TOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + [18O]T- + [18O]H- = Fe3OHOD[18O]T[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + OT- + OH- + OH- = Fe3OHOTOHOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + OT- + OH- + OD- = Fe3OHOTOHOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + OT- + OH- + [18O]H- = Fe3OHOTOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + OT- + OH- + [18O]D- = Fe3OHOTOH[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OH- + OT- + OD- + OH- = Fe3OHOTODOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + OT- + OD- + OD- = Fe3OHOTODOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + OT- + OD- + [18O]H- = Fe3OHOTOD[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + OT- + OD- + [18O]D- = Fe3OHOTOD[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OH- + OT- + [18O]H- + OH- = Fe3OHOT[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + OT- + [18O]H- + OD- = Fe3OHOT[18O]HOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + OT- + [18O]H- + [18O]H- = Fe3OHOT[18O]H[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + OT- + [18O]H- + [18O]D- = Fe3OHOT[18O]H[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OH- + OT- + [18O]D- + OH- = Fe3OHOT[18O]DOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + OT- + [18O]D- + OD- = Fe3OHOT[18O]DOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + OT- + [18O]D- + [18O]H- = Fe3OHOT[18O]D[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + OH- + OH- = Fe3OH[18O]HOHOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + OH- + OD- = Fe3OH[18O]HOHOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + OH- + OT- = Fe3OH[18O]HOHOT+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + OH- + [18O]H- = Fe3OH[18O]HOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + OH- + [18O]D- = Fe3OH[18O]HOH[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + OH- + [18O]T- = Fe3OH[18O]HOH[18O]T+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + OD- + OH- = Fe3OH[18O]HODOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + OD- + OD- = Fe3OH[18O]HODOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + OD- + OT- = Fe3OH[18O]HODOT+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + OD- + [18O]H- = Fe3OH[18O]HOD[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + OD- + [18O]D- = Fe3OH[18O]HOD[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + OD- + [18O]T- = Fe3OH[18O]HOD[18O]T+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + OT- + OH- = Fe3OH[18O]HOTOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + OT- + OD- = Fe3OH[18O]HOTOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + OT- + [18O]H- = Fe3OH[18O]HOT[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + OT- + [18O]D- = Fe3OH[18O]HOT[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + [18O]H- + OH- = Fe3OH[18O]H[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + [18O]H- + OD- = Fe3OH[18O]H[18O]HOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + [18O]H- + OT- = Fe3OH[18O]H[18O]HOT+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + [18O]D- + OH- = Fe3OH[18O]H[18O]DOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + [18O]D- + OD- = Fe3OH[18O]H[18O]DOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + [18O]D- + OT- = Fe3OH[18O]H[18O]DOT+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + [18O]T- + OH- = Fe3OH[18O]H[18O]TOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + [18O]T- + OD- = Fe3OH[18O]H[18O]TOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]D- + OH- + OH- = Fe3OH[18O]DOHOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]D- + OH- + OD- = Fe3OH[18O]DOHOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]D- + OH- + OT- = Fe3OH[18O]DOHOT+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]D- + OH- + [18O]H- = Fe3OH[18O]DOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]D- + OH- + [18O]D- = Fe3OH[18O]DOH[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]D- + OH- + [18O]T- = Fe3OH[18O]DOH[18O]T+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]D- + OD- + OH- = Fe3OH[18O]DODOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]D- + OD- + OT- = Fe3OH[18O]DODOT+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]D- + OD- + [18O]H- = Fe3OH[18O]DOD[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]D- + OT- + OH- = Fe3OH[18O]DOTOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]D- + OT- + OD- = Fe3OH[18O]DOTOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]D- + OT- + [18O]H- = Fe3OH[18O]DOT[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]D- + [18O]H- + OH- = Fe3OH[18O]D[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]D- + [18O]H- + OD- = Fe3OH[18O]D[18O]HOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]D- + [18O]H- + OT- = Fe3OH[18O]D[18O]HOT+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]D- + [18O]D- + OH- = Fe3OH[18O]D[18O]DOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]D- + [18O]T- + OH- = Fe3OH[18O]D[18O]TOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]T- + OH- + OH- = Fe3OH[18O]TOHOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]T- + OH- + OD- = Fe3OH[18O]TOHOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]T- + OH- + [18O]H- = Fe3OH[18O]TOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]T- + OH- + [18O]D- = Fe3OH[18O]TOH[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]T- + OD- + OH- = Fe3OH[18O]TODOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]T- + OD- + OD- = Fe3OH[18O]TODOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]T- + OD- + [18O]H- = Fe3OH[18O]TOD[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]T- + [18O]H- + OH- = Fe3OH[18O]T[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]T- + [18O]H- + OD- = Fe3OH[18O]T[18O]HOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]T- + [18O]D- + OH- = Fe3OH[18O]T[18O]DOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + OH- + OH- = Fe3ODOHOHOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + OH- + OD- = Fe3ODOHOHOD+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + OH- + OT- = Fe3ODOHOHOT+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + OH- + [18O]H- = Fe3ODOHOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + OH- + [18O]D- = Fe3ODOHOH[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + OH- + [18O]T- = Fe3ODOHOH[18O]T+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + OD- + OH- = Fe3ODOHODOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + OD- + OT- = Fe3ODOHODOT+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + OD- + [18O]H- = Fe3ODOHOD[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + OD- + [18O]T- = Fe3ODOHOD[18O]T+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + OT- + OH- = Fe3ODOHOTOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + OT- + OD- = Fe3ODOHOTOD+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + OT- + [18O]H- = Fe3ODOHOT[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + OT- + [18O]D- = Fe3ODOHOT[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + [18O]H- + OH- = Fe3ODOH[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + [18O]H- + OD- = Fe3ODOH[18O]HOD+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + [18O]H- + OT- = Fe3ODOH[18O]HOT+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + [18O]H- + [18O]H- = Fe3ODOH[18O]H[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + [18O]H- + [18O]D- = Fe3ODOH[18O]H[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + [18O]H- + [18O]T- = Fe3ODOH[18O]H[18O]T+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + [18O]D- + OH- = Fe3ODOH[18O]DOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + [18O]D- + OT- = Fe3ODOH[18O]DOT+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + [18O]D- + [18O]H- = Fe3ODOH[18O]D[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + [18O]T- + OH- = Fe3ODOH[18O]TOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + [18O]T- + OD- = Fe3ODOH[18O]TOD+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + [18O]T- + [18O]H- = Fe3ODOH[18O]T[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OD- + OD- + OH- + OH- = Fe3ODODOHOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + OD- + OH- + OT- = Fe3ODODOHOT+5 + 4 OH- +Fe3(OH)4+5 + OD- + OD- + OH- + [18O]H- = Fe3ODODOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OD- + OD- + OH- + [18O]T- = Fe3ODODOH[18O]T+5 + 4 OH- +Fe3(OH)4+5 + OD- + OD- + OT- + OH- = Fe3ODODOTOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + OD- + OT- + [18O]H- = Fe3ODODOT[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OD- + OD- + [18O]H- + OH- = Fe3ODOD[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + OD- + [18O]H- + OT- = Fe3ODOD[18O]HOT+5 + 4 OH- +Fe3(OH)4+5 + OD- + OD- + [18O]H- + [18O]H- = Fe3ODOD[18O]H[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OD- + OD- + [18O]T- + OH- = Fe3ODOD[18O]TOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + OT- + OH- + OH- = Fe3ODOTOHOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + OT- + OH- + OD- = Fe3ODOTOHOD+5 + 4 OH- +Fe3(OH)4+5 + OD- + OT- + OH- + [18O]H- = Fe3ODOTOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OD- + OT- + OH- + [18O]D- = Fe3ODOTOH[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OD- + OT- + OD- + OH- = Fe3ODOTODOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + OT- + OD- + [18O]H- = Fe3ODOTOD[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OD- + OT- + [18O]H- + OH- = Fe3ODOT[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + OT- + [18O]H- + OD- = Fe3ODOT[18O]HOD+5 + 4 OH- +Fe3(OH)4+5 + OD- + OT- + [18O]H- + [18O]H- = Fe3ODOT[18O]H[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OD- + OT- + [18O]D- + OH- = Fe3ODOT[18O]DOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]H- + OH- + OH- = Fe3OD[18O]HOHOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]H- + OH- + OD- = Fe3OD[18O]HOHOD+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]H- + OH- + OT- = Fe3OD[18O]HOHOT+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]H- + OH- + [18O]H- = Fe3OD[18O]HOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]H- + OH- + [18O]D- = Fe3OD[18O]HOH[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]H- + OH- + [18O]T- = Fe3OD[18O]HOH[18O]T+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]H- + OD- + OH- = Fe3OD[18O]HODOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]H- + OD- + OT- = Fe3OD[18O]HODOT+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]H- + OD- + [18O]H- = Fe3OD[18O]HOD[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]H- + OT- + OH- = Fe3OD[18O]HOTOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]H- + OT- + OD- = Fe3OD[18O]HOTOD+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]H- + OT- + [18O]H- = Fe3OD[18O]HOT[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]H- + [18O]H- + OH- = Fe3OD[18O]H[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]H- + [18O]H- + OD- = Fe3OD[18O]H[18O]HOD+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]H- + [18O]H- + OT- = Fe3OD[18O]H[18O]HOT+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]H- + [18O]D- + OH- = Fe3OD[18O]H[18O]DOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]H- + [18O]T- + OH- = Fe3OD[18O]H[18O]TOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]D- + OH- + OH- = Fe3OD[18O]DOHOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]D- + OH- + OT- = Fe3OD[18O]DOHOT+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]D- + OH- + [18O]H- = Fe3OD[18O]DOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]D- + OT- + OH- = Fe3OD[18O]DOTOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]D- + [18O]H- + OH- = Fe3OD[18O]D[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]T- + OH- + OH- = Fe3OD[18O]TOHOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]T- + OH- + OD- = Fe3OD[18O]TOHOD+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]T- + OH- + [18O]H- = Fe3OD[18O]TOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]T- + OD- + OH- = Fe3OD[18O]TODOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]T- + [18O]H- + OH- = Fe3OD[18O]T[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + OT- + OH- + OH- + OH- = Fe3OTOHOHOH+5 + 4 OH- +Fe3(OH)4+5 + OT- + OH- + OH- + OD- = Fe3OTOHOHOD+5 + 4 OH- +Fe3(OH)4+5 + OT- + OH- + OH- + [18O]H- = Fe3OTOHOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OT- + OH- + OH- + [18O]D- = Fe3OTOHOH[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OT- + OH- + OD- + OH- = Fe3OTOHODOH+5 + 4 OH- +Fe3(OH)4+5 + OT- + OH- + OD- + OD- = Fe3OTOHODOD+5 + 4 OH- +Fe3(OH)4+5 + OT- + OH- + OD- + [18O]H- = Fe3OTOHOD[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OT- + OH- + OD- + [18O]D- = Fe3OTOHOD[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OT- + OH- + [18O]H- + OH- = Fe3OTOH[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + OT- + OH- + [18O]H- + OD- = Fe3OTOH[18O]HOD+5 + 4 OH- +Fe3(OH)4+5 + OT- + OH- + [18O]H- + [18O]H- = Fe3OTOH[18O]H[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OT- + OH- + [18O]H- + [18O]D- = Fe3OTOH[18O]H[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OT- + OH- + [18O]D- + OH- = Fe3OTOH[18O]DOH+5 + 4 OH- +Fe3(OH)4+5 + OT- + OH- + [18O]D- + OD- = Fe3OTOH[18O]DOD+5 + 4 OH- +Fe3(OH)4+5 + OT- + OH- + [18O]D- + [18O]H- = Fe3OTOH[18O]D[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OT- + OD- + OH- + OH- = Fe3OTODOHOH+5 + 4 OH- +Fe3(OH)4+5 + OT- + OD- + OH- + OD- = Fe3OTODOHOD+5 + 4 OH- +Fe3(OH)4+5 + OT- + OD- + OH- + [18O]H- = Fe3OTODOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OT- + OD- + OH- + [18O]D- = Fe3OTODOH[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OT- + OD- + OD- + OH- = Fe3OTODODOH+5 + 4 OH- +Fe3(OH)4+5 + OT- + OD- + OD- + [18O]H- = Fe3OTODOD[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OT- + OD- + [18O]H- + OH- = Fe3OTOD[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + OT- + OD- + [18O]H- + OD- = Fe3OTOD[18O]HOD+5 + 4 OH- +Fe3(OH)4+5 + OT- + OD- + [18O]H- + [18O]H- = Fe3OTOD[18O]H[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OT- + OD- + [18O]D- + OH- = Fe3OTOD[18O]DOH+5 + 4 OH- +Fe3(OH)4+5 + OT- + [18O]H- + OH- + OH- = Fe3OT[18O]HOHOH+5 + 4 OH- +Fe3(OH)4+5 + OT- + [18O]H- + OH- + OD- = Fe3OT[18O]HOHOD+5 + 4 OH- +Fe3(OH)4+5 + OT- + [18O]H- + OH- + [18O]H- = Fe3OT[18O]HOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OT- + [18O]H- + OH- + [18O]D- = Fe3OT[18O]HOH[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OT- + [18O]H- + OD- + OH- = Fe3OT[18O]HODOH+5 + 4 OH- +Fe3(OH)4+5 + OT- + [18O]H- + OD- + OD- = Fe3OT[18O]HODOD+5 + 4 OH- +Fe3(OH)4+5 + OT- + [18O]H- + OD- + [18O]H- = Fe3OT[18O]HOD[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OT- + [18O]H- + [18O]H- + OH- = Fe3OT[18O]H[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + OT- + [18O]H- + [18O]H- + OD- = Fe3OT[18O]H[18O]HOD+5 + 4 OH- +Fe3(OH)4+5 + OT- + [18O]H- + [18O]D- + OH- = Fe3OT[18O]H[18O]DOH+5 + 4 OH- +Fe3(OH)4+5 + OT- + [18O]D- + OH- + OH- = Fe3OT[18O]DOHOH+5 + 4 OH- +Fe3(OH)4+5 + OT- + [18O]D- + OH- + OD- = Fe3OT[18O]DOHOD+5 + 4 OH- +Fe3(OH)4+5 + OT- + [18O]D- + OH- + [18O]H- = Fe3OT[18O]DOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OT- + [18O]D- + OD- + OH- = Fe3OT[18O]DODOH+5 + 4 OH- +Fe3(OH)4+5 + OT- + [18O]D- + [18O]H- + OH- = Fe3OT[18O]D[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + OH- + OH- = Fe3[18O]HOHOHOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + OH- + OD- = Fe3[18O]HOHOHOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + OH- + OT- = Fe3[18O]HOHOHOT+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + OH- + [18O]H- = Fe3[18O]HOHOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + OH- + [18O]D- = Fe3[18O]HOHOH[18O]D+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + OH- + [18O]T- = Fe3[18O]HOHOH[18O]T+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + OD- + OH- = Fe3[18O]HOHODOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + OD- + OD- = Fe3[18O]HOHODOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + OD- + OT- = Fe3[18O]HOHODOT+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + OD- + [18O]H- = Fe3[18O]HOHOD[18O]H+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + OD- + [18O]D- = Fe3[18O]HOHOD[18O]D+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + OD- + [18O]T- = Fe3[18O]HOHOD[18O]T+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + OT- + OH- = Fe3[18O]HOHOTOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + OT- + OD- = Fe3[18O]HOHOTOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + OT- + [18O]H- = Fe3[18O]HOHOT[18O]H+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + OT- + [18O]D- = Fe3[18O]HOHOT[18O]D+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + [18O]H- + OH- = Fe3[18O]HOH[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + [18O]H- + OD- = Fe3[18O]HOH[18O]HOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + [18O]H- + OT- = Fe3[18O]HOH[18O]HOT+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + [18O]D- + OH- = Fe3[18O]HOH[18O]DOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + [18O]D- + OD- = Fe3[18O]HOH[18O]DOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + [18O]D- + OT- = Fe3[18O]HOH[18O]DOT+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + [18O]T- + OH- = Fe3[18O]HOH[18O]TOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + [18O]T- + OD- = Fe3[18O]HOH[18O]TOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OD- + OH- + OH- = Fe3[18O]HODOHOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OD- + OH- + OD- = Fe3[18O]HODOHOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OD- + OH- + OT- = Fe3[18O]HODOHOT+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OD- + OH- + [18O]H- = Fe3[18O]HODOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OD- + OH- + [18O]D- = Fe3[18O]HODOH[18O]D+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OD- + OH- + [18O]T- = Fe3[18O]HODOH[18O]T+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OD- + OD- + OH- = Fe3[18O]HODODOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OD- + OD- + OT- = Fe3[18O]HODODOT+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OD- + OD- + [18O]H- = Fe3[18O]HODOD[18O]H+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OD- + OT- + OH- = Fe3[18O]HODOTOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OD- + OT- + OD- = Fe3[18O]HODOTOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OD- + OT- + [18O]H- = Fe3[18O]HODOT[18O]H+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OD- + [18O]H- + OH- = Fe3[18O]HOD[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OD- + [18O]H- + OD- = Fe3[18O]HOD[18O]HOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OD- + [18O]H- + OT- = Fe3[18O]HOD[18O]HOT+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OD- + [18O]D- + OH- = Fe3[18O]HOD[18O]DOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OD- + [18O]T- + OH- = Fe3[18O]HOD[18O]TOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OT- + OH- + OH- = Fe3[18O]HOTOHOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OT- + OH- + OD- = Fe3[18O]HOTOHOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OT- + OH- + [18O]H- = Fe3[18O]HOTOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OT- + OH- + [18O]D- = Fe3[18O]HOTOH[18O]D+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OT- + OD- + OH- = Fe3[18O]HOTODOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OT- + OD- + OD- = Fe3[18O]HOTODOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OT- + OD- + [18O]H- = Fe3[18O]HOTOD[18O]H+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OT- + [18O]H- + OH- = Fe3[18O]HOT[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OT- + [18O]H- + OD- = Fe3[18O]HOT[18O]HOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OT- + [18O]D- + OH- = Fe3[18O]HOT[18O]DOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + [18O]H- + OH- + OH- = Fe3[18O]H[18O]HOHOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + [18O]H- + OH- + OD- = Fe3[18O]H[18O]HOHOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + [18O]H- + OH- + OT- = Fe3[18O]H[18O]HOHOT+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + [18O]H- + OD- + OH- = Fe3[18O]H[18O]HODOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + [18O]H- + OD- + OD- = Fe3[18O]H[18O]HODOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + [18O]H- + OD- + OT- = Fe3[18O]H[18O]HODOT+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + [18O]H- + OT- + OH- = Fe3[18O]H[18O]HOTOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + [18O]H- + OT- + OD- = Fe3[18O]H[18O]HOTOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + [18O]D- + OH- + OH- = Fe3[18O]H[18O]DOHOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + [18O]D- + OH- + OD- = Fe3[18O]H[18O]DOHOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + [18O]D- + OH- + OT- = Fe3[18O]H[18O]DOHOT+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + [18O]D- + OD- + OH- = Fe3[18O]H[18O]DODOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + [18O]D- + OT- + OH- = Fe3[18O]H[18O]DOTOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + [18O]T- + OH- + OH- = Fe3[18O]H[18O]TOHOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + [18O]T- + OH- + OD- = Fe3[18O]H[18O]TOHOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + [18O]T- + OD- + OH- = Fe3[18O]H[18O]TODOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OH- + OH- + OH- = Fe3[18O]DOHOHOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OH- + OH- + OD- = Fe3[18O]DOHOHOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OH- + OH- + OT- = Fe3[18O]DOHOHOT+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OH- + OH- + [18O]H- = Fe3[18O]DOHOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OH- + OH- + [18O]D- = Fe3[18O]DOHOH[18O]D+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OH- + OH- + [18O]T- = Fe3[18O]DOHOH[18O]T+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OH- + OD- + OH- = Fe3[18O]DOHODOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OH- + OD- + OT- = Fe3[18O]DOHODOT+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OH- + OD- + [18O]H- = Fe3[18O]DOHOD[18O]H+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OH- + OT- + OH- = Fe3[18O]DOHOTOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OH- + OT- + OD- = Fe3[18O]DOHOTOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OH- + OT- + [18O]H- = Fe3[18O]DOHOT[18O]H+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OH- + [18O]H- + OH- = Fe3[18O]DOH[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OH- + [18O]H- + OD- = Fe3[18O]DOH[18O]HOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OH- + [18O]H- + OT- = Fe3[18O]DOH[18O]HOT+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OH- + [18O]D- + OH- = Fe3[18O]DOH[18O]DOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OH- + [18O]T- + OH- = Fe3[18O]DOH[18O]TOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OD- + OH- + OH- = Fe3[18O]DODOHOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OD- + OH- + OT- = Fe3[18O]DODOHOT+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OD- + OH- + [18O]H- = Fe3[18O]DODOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OD- + OT- + OH- = Fe3[18O]DODOTOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OD- + [18O]H- + OH- = Fe3[18O]DOD[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OT- + OH- + OH- = Fe3[18O]DOTOHOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OT- + OH- + OD- = Fe3[18O]DOTOHOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OT- + OH- + [18O]H- = Fe3[18O]DOTOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OT- + OD- + OH- = Fe3[18O]DOTODOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OT- + [18O]H- + OH- = Fe3[18O]DOT[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + [18O]H- + OH- + OH- = Fe3[18O]D[18O]HOHOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + [18O]H- + OH- + OD- = Fe3[18O]D[18O]HOHOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + [18O]H- + OH- + OT- = Fe3[18O]D[18O]HOHOT+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + [18O]H- + OD- + OH- = Fe3[18O]D[18O]HODOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + [18O]H- + OT- + OH- = Fe3[18O]D[18O]HOTOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + [18O]D- + OH- + OH- = Fe3[18O]D[18O]DOHOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + [18O]T- + OH- + OH- = Fe3[18O]D[18O]TOHOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]T- + OH- + OH- + OH- = Fe3[18O]TOHOHOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]T- + OH- + OH- + OD- = Fe3[18O]TOHOHOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]T- + OH- + OH- + [18O]H- = Fe3[18O]TOHOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + [18O]T- + OH- + OH- + [18O]D- = Fe3[18O]TOHOH[18O]D+5 + 4 OH- +Fe3(OH)4+5 + [18O]T- + OH- + OD- + OH- = Fe3[18O]TOHODOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]T- + OH- + OD- + OD- = Fe3[18O]TOHODOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]T- + OH- + OD- + [18O]H- = Fe3[18O]TOHOD[18O]H+5 + 4 OH- +Fe3(OH)4+5 + [18O]T- + OH- + [18O]H- + OH- = Fe3[18O]TOH[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]T- + OH- + [18O]H- + OD- = Fe3[18O]TOH[18O]HOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]T- + OH- + [18O]D- + OH- = Fe3[18O]TOH[18O]DOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]T- + OD- + OH- + OH- = Fe3[18O]TODOHOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]T- + OD- + OH- + OD- = Fe3[18O]TODOHOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]T- + OD- + OH- + [18O]H- = Fe3[18O]TODOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + [18O]T- + OD- + OD- + OH- = Fe3[18O]TODODOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]T- + OD- + [18O]H- + OH- = Fe3[18O]TOD[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]T- + [18O]H- + OH- + OH- = Fe3[18O]T[18O]HOHOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]T- + [18O]H- + OH- + OD- = Fe3[18O]T[18O]HOHOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]T- + [18O]H- + OD- + OH- = Fe3[18O]T[18O]HODOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]T- + [18O]D- + OH- + OH- = Fe3[18O]T[18O]DOHOH+5 + 4 OH- # # Added FeSO4+ reactions 16Dec09 # @@ -6210,9 +6214,9 @@ FeHSO4+2 + T[34S]O4- = FeT[34S]O4+2 + HSO4- # Added Fe(SO4)2- reactions 16Dec09 # Revised 17Dec09 # -Fe(SO4)2- + SO4-2 + [34S]O4-2 = FeSO4[34S]O4- + 2SO4-2 -Fe(SO4)2- + [34S]O4-2 + SO4-2 = Fe[34S]O4SO4- + 2SO4-2 -Fe(SO4)2- + [34S]O4-2 + [34S]O4-2 = Fe[34S]O4[34S]O4- + 2SO4-2 +Fe(SO4)2- + SO4-2 + [34S]O4-2 = FeSO4[34S]O4- + 2 SO4-2 +Fe(SO4)2- + [34S]O4-2 + SO4-2 = Fe[34S]O4SO4- + 2 SO4-2 +Fe(SO4)2- + [34S]O4-2 + [34S]O4-2 = Fe[34S]O4[34S]O4- + 2 SO4-2 # # Missing FeHPO4+ reactions # @@ -6231,524 +6235,524 @@ AlOH+2 + [18O]T- = Al[18O]T+2 + OH- # Added Al(OH)2+ reactions 16Dec09 # Revised 17Dec09, limited the number of species # -Al(OH)2+ + OH- + OD- = AlOHOD+ + 2OH- -Al(OH)2+ + OH- + OT- = AlOHOT+ + 2OH- -Al(OH)2+ + OH- + [18O]H- = AlOH[18O]H+ + 2OH- -Al(OH)2+ + OH- + [18O]D- = AlOH[18O]D+ + 2OH- -Al(OH)2+ + OH- + [18O]T- = AlOH[18O]T+ + 2OH- -Al(OH)2+ + OD- + OH- = AlODOH+ + 2OH- -Al(OH)2+ + OD- + OD- = AlODOD+ + 2OH- -Al(OH)2+ + OD- + OT- = AlODOT+ + 2OH- -Al(OH)2+ + OD- + [18O]H- = AlOD[18O]H+ + 2OH- -Al(OH)2+ + OD- + [18O]D- = AlOD[18O]D+ + 2OH- -Al(OH)2+ + OD- + [18O]T- = AlOD[18O]T+ + 2OH- -Al(OH)2+ + OT- + OH- = AlOTOH+ + 2OH- -Al(OH)2+ + OT- + OD- = AlOTOD+ + 2OH- -Al(OH)2+ + OT- + [18O]H- = AlOT[18O]H+ + 2OH- -Al(OH)2+ + OT- + [18O]D- = AlOT[18O]D+ + 2OH- -Al(OH)2+ + [18O]H- + OH- = Al[18O]HOH+ + 2OH- -Al(OH)2+ + [18O]H- + OD- = Al[18O]HOD+ + 2OH- -Al(OH)2+ + [18O]H- + OT- = Al[18O]HOT+ + 2OH- -Al(OH)2+ + [18O]H- + [18O]H- = Al[18O]H[18O]H+ + 2OH- -Al(OH)2+ + [18O]H- + [18O]D- = Al[18O]H[18O]D+ + 2OH- -Al(OH)2+ + [18O]H- + [18O]T- = Al[18O]H[18O]T+ + 2OH- -Al(OH)2+ + [18O]D- + OH- = Al[18O]DOH+ + 2OH- -Al(OH)2+ + [18O]D- + OD- = Al[18O]DOD+ + 2OH- -Al(OH)2+ + [18O]D- + OT- = Al[18O]DOT+ + 2OH- -Al(OH)2+ + [18O]D- + [18O]H- = Al[18O]D[18O]H+ + 2OH- -Al(OH)2+ + [18O]D- + [18O]D- = Al[18O]D[18O]D+ + 2OH- -Al(OH)2+ + [18O]D- + [18O]T- = Al[18O]D[18O]T+ + 2OH- -Al(OH)2+ + [18O]T- + OH- = Al[18O]TOH+ + 2OH- -Al(OH)2+ + [18O]T- + OD- = Al[18O]TOD+ + 2OH- -Al(OH)2+ + [18O]T- + [18O]H- = Al[18O]T[18O]H+ + 2OH- -Al(OH)2+ + [18O]T- + [18O]D- = Al[18O]T[18O]D+ + 2OH- +Al(OH)2+ + OH- + OD- = AlOHOD+ + 2 OH- +Al(OH)2+ + OH- + OT- = AlOHOT+ + 2 OH- +Al(OH)2+ + OH- + [18O]H- = AlOH[18O]H+ + 2 OH- +Al(OH)2+ + OH- + [18O]D- = AlOH[18O]D+ + 2 OH- +Al(OH)2+ + OH- + [18O]T- = AlOH[18O]T+ + 2 OH- +Al(OH)2+ + OD- + OH- = AlODOH+ + 2 OH- +Al(OH)2+ + OD- + OD- = AlODOD+ + 2 OH- +Al(OH)2+ + OD- + OT- = AlODOT+ + 2 OH- +Al(OH)2+ + OD- + [18O]H- = AlOD[18O]H+ + 2 OH- +Al(OH)2+ + OD- + [18O]D- = AlOD[18O]D+ + 2 OH- +Al(OH)2+ + OD- + [18O]T- = AlOD[18O]T+ + 2 OH- +Al(OH)2+ + OT- + OH- = AlOTOH+ + 2 OH- +Al(OH)2+ + OT- + OD- = AlOTOD+ + 2 OH- +Al(OH)2+ + OT- + [18O]H- = AlOT[18O]H+ + 2 OH- +Al(OH)2+ + OT- + [18O]D- = AlOT[18O]D+ + 2 OH- +Al(OH)2+ + [18O]H- + OH- = Al[18O]HOH+ + 2 OH- +Al(OH)2+ + [18O]H- + OD- = Al[18O]HOD+ + 2 OH- +Al(OH)2+ + [18O]H- + OT- = Al[18O]HOT+ + 2 OH- +Al(OH)2+ + [18O]H- + [18O]H- = Al[18O]H[18O]H+ + 2 OH- +Al(OH)2+ + [18O]H- + [18O]D- = Al[18O]H[18O]D+ + 2 OH- +Al(OH)2+ + [18O]H- + [18O]T- = Al[18O]H[18O]T+ + 2 OH- +Al(OH)2+ + [18O]D- + OH- = Al[18O]DOH+ + 2 OH- +Al(OH)2+ + [18O]D- + OD- = Al[18O]DOD+ + 2 OH- +Al(OH)2+ + [18O]D- + OT- = Al[18O]DOT+ + 2 OH- +Al(OH)2+ + [18O]D- + [18O]H- = Al[18O]D[18O]H+ + 2 OH- +Al(OH)2+ + [18O]D- + [18O]D- = Al[18O]D[18O]D+ + 2 OH- +Al(OH)2+ + [18O]D- + [18O]T- = Al[18O]D[18O]T+ + 2 OH- +Al(OH)2+ + [18O]T- + OH- = Al[18O]TOH+ + 2 OH- +Al(OH)2+ + [18O]T- + OD- = Al[18O]TOD+ + 2 OH- +Al(OH)2+ + [18O]T- + [18O]H- = Al[18O]T[18O]H+ + 2 OH- +Al(OH)2+ + [18O]T- + [18O]D- = Al[18O]T[18O]D+ + 2 OH- # # Added Al(OH)3 reactions 16Dec09 # Revised 17Dec09, limited the number of species # -Al(OH)3 + OH- + OH- + OD- = AlOHOHOD + 3OH- -Al(OH)3 + OH- + OH- + OT- = AlOHOHOT + 3OH- -Al(OH)3 + OH- + OH- + [18O]H- = AlOHOH[18O]H + 3OH- -Al(OH)3 + OH- + OH- + [18O]D- = AlOHOH[18O]D + 3OH- -Al(OH)3 + OH- + OH- + [18O]T- = AlOHOH[18O]T + 3OH- -Al(OH)3 + OH- + OD- + OH- = AlOHODOH + 3OH- -Al(OH)3 + OH- + OD- + OD- = AlOHODOD + 3OH- -Al(OH)3 + OH- + OD- + OT- = AlOHODOT + 3OH- -Al(OH)3 + OH- + OD- + [18O]H- = AlOHOD[18O]H + 3OH- -Al(OH)3 + OH- + OD- + [18O]D- = AlOHOD[18O]D + 3OH- -Al(OH)3 + OH- + OD- + [18O]T- = AlOHOD[18O]T + 3OH- -Al(OH)3 + OH- + OT- + OH- = AlOHOTOH + 3OH- -Al(OH)3 + OH- + OT- + OD- = AlOHOTOD + 3OH- -Al(OH)3 + OH- + OT- + [18O]H- = AlOHOT[18O]H + 3OH- -Al(OH)3 + OH- + OT- + [18O]D- = AlOHOT[18O]D + 3OH- -Al(OH)3 + OH- + [18O]H- + OH- = AlOH[18O]HOH + 3OH- -Al(OH)3 + OH- + [18O]H- + OD- = AlOH[18O]HOD + 3OH- -Al(OH)3 + OH- + [18O]H- + OT- = AlOH[18O]HOT + 3OH- -Al(OH)3 + OH- + [18O]H- + [18O]H- = AlOH[18O]H[18O]H + 3OH- -Al(OH)3 + OH- + [18O]H- + [18O]D- = AlOH[18O]H[18O]D + 3OH- -Al(OH)3 + OH- + [18O]H- + [18O]T- = AlOH[18O]H[18O]T + 3OH- -Al(OH)3 + OH- + [18O]D- + OH- = AlOH[18O]DOH + 3OH- -Al(OH)3 + OH- + [18O]D- + OD- = AlOH[18O]DOD + 3OH- -Al(OH)3 + OH- + [18O]D- + OT- = AlOH[18O]DOT + 3OH- -Al(OH)3 + OH- + [18O]D- + [18O]H- = AlOH[18O]D[18O]H + 3OH- -Al(OH)3 + OH- + [18O]D- + [18O]D- = AlOH[18O]D[18O]D + 3OH- -Al(OH)3 + OH- + [18O]D- + [18O]T- = AlOH[18O]D[18O]T + 3OH- -Al(OH)3 + OH- + [18O]T- + OH- = AlOH[18O]TOH + 3OH- -Al(OH)3 + OH- + [18O]T- + OD- = AlOH[18O]TOD + 3OH- -Al(OH)3 + OH- + [18O]T- + [18O]H- = AlOH[18O]T[18O]H + 3OH- -Al(OH)3 + OH- + [18O]T- + [18O]D- = AlOH[18O]T[18O]D + 3OH- -Al(OH)3 + OD- + OH- + OH- = AlODOHOH + 3OH- -Al(OH)3 + OD- + OH- + OD- = AlODOHOD + 3OH- -Al(OH)3 + OD- + OH- + OT- = AlODOHOT + 3OH- -Al(OH)3 + OD- + OH- + [18O]H- = AlODOH[18O]H + 3OH- -Al(OH)3 + OD- + OH- + [18O]D- = AlODOH[18O]D + 3OH- -Al(OH)3 + OD- + OH- + [18O]T- = AlODOH[18O]T + 3OH- -Al(OH)3 + OD- + OD- + OH- = AlODODOH + 3OH- -Al(OH)3 + OD- + OD- + OT- = AlODODOT + 3OH- -Al(OH)3 + OD- + OD- + [18O]H- = AlODOD[18O]H + 3OH- -Al(OH)3 + OD- + OD- + [18O]T- = AlODOD[18O]T + 3OH- -Al(OH)3 + OD- + OT- + OH- = AlODOTOH + 3OH- -Al(OH)3 + OD- + OT- + OD- = AlODOTOD + 3OH- -Al(OH)3 + OD- + OT- + [18O]H- = AlODOT[18O]H + 3OH- -Al(OH)3 + OD- + OT- + [18O]D- = AlODOT[18O]D + 3OH- -Al(OH)3 + OD- + [18O]H- + OH- = AlOD[18O]HOH + 3OH- -Al(OH)3 + OD- + [18O]H- + OD- = AlOD[18O]HOD + 3OH- -Al(OH)3 + OD- + [18O]H- + OT- = AlOD[18O]HOT + 3OH- -Al(OH)3 + OD- + [18O]H- + [18O]H- = AlOD[18O]H[18O]H + 3OH- -Al(OH)3 + OD- + [18O]H- + [18O]D- = AlOD[18O]H[18O]D + 3OH- -Al(OH)3 + OD- + [18O]H- + [18O]T- = AlOD[18O]H[18O]T + 3OH- -Al(OH)3 + OD- + [18O]D- + OH- = AlOD[18O]DOH + 3OH- -Al(OH)3 + OD- + [18O]D- + OT- = AlOD[18O]DOT + 3OH- -Al(OH)3 + OD- + [18O]D- + [18O]H- = AlOD[18O]D[18O]H + 3OH- -Al(OH)3 + OD- + [18O]T- + OH- = AlOD[18O]TOH + 3OH- -Al(OH)3 + OD- + [18O]T- + OD- = AlOD[18O]TOD + 3OH- -Al(OH)3 + OD- + [18O]T- + [18O]H- = AlOD[18O]T[18O]H + 3OH- -Al(OH)3 + OT- + OH- + OH- = AlOTOHOH + 3OH- -Al(OH)3 + OT- + OH- + OD- = AlOTOHOD + 3OH- -Al(OH)3 + OT- + OH- + [18O]H- = AlOTOH[18O]H + 3OH- -Al(OH)3 + OT- + OH- + [18O]D- = AlOTOH[18O]D + 3OH- -Al(OH)3 + OT- + OD- + OH- = AlOTODOH + 3OH- -Al(OH)3 + OT- + OD- + OD- = AlOTODOD + 3OH- -Al(OH)3 + OT- + OD- + [18O]H- = AlOTOD[18O]H + 3OH- -Al(OH)3 + OT- + OD- + [18O]D- = AlOTOD[18O]D + 3OH- -Al(OH)3 + OT- + [18O]H- + OH- = AlOT[18O]HOH + 3OH- -Al(OH)3 + OT- + [18O]H- + OD- = AlOT[18O]HOD + 3OH- -Al(OH)3 + OT- + [18O]H- + [18O]H- = AlOT[18O]H[18O]H + 3OH- -Al(OH)3 + OT- + [18O]H- + [18O]D- = AlOT[18O]H[18O]D + 3OH- -Al(OH)3 + OT- + [18O]D- + OH- = AlOT[18O]DOH + 3OH- -Al(OH)3 + OT- + [18O]D- + OD- = AlOT[18O]DOD + 3OH- -Al(OH)3 + OT- + [18O]D- + [18O]H- = AlOT[18O]D[18O]H + 3OH- -Al(OH)3 + [18O]H- + OH- + OH- = Al[18O]HOHOH + 3OH- -Al(OH)3 + [18O]H- + OH- + OD- = Al[18O]HOHOD + 3OH- -Al(OH)3 + [18O]H- + OH- + OT- = Al[18O]HOHOT + 3OH- -Al(OH)3 + [18O]H- + OH- + [18O]H- = Al[18O]HOH[18O]H + 3OH- -Al(OH)3 + [18O]H- + OH- + [18O]D- = Al[18O]HOH[18O]D + 3OH- -Al(OH)3 + [18O]H- + OH- + [18O]T- = Al[18O]HOH[18O]T + 3OH- -Al(OH)3 + [18O]H- + OD- + OH- = Al[18O]HODOH + 3OH- -Al(OH)3 + [18O]H- + OD- + OD- = Al[18O]HODOD + 3OH- -Al(OH)3 + [18O]H- + OD- + OT- = Al[18O]HODOT + 3OH- -Al(OH)3 + [18O]H- + OD- + [18O]H- = Al[18O]HOD[18O]H + 3OH- -Al(OH)3 + [18O]H- + OD- + [18O]D- = Al[18O]HOD[18O]D + 3OH- -Al(OH)3 + [18O]H- + OD- + [18O]T- = Al[18O]HOD[18O]T + 3OH- -Al(OH)3 + [18O]H- + OT- + OH- = Al[18O]HOTOH + 3OH- -Al(OH)3 + [18O]H- + OT- + OD- = Al[18O]HOTOD + 3OH- -Al(OH)3 + [18O]H- + OT- + [18O]H- = Al[18O]HOT[18O]H + 3OH- -Al(OH)3 + [18O]H- + OT- + [18O]D- = Al[18O]HOT[18O]D + 3OH- -Al(OH)3 + [18O]H- + [18O]H- + OH- = Al[18O]H[18O]HOH + 3OH- -Al(OH)3 + [18O]H- + [18O]H- + OD- = Al[18O]H[18O]HOD + 3OH- -Al(OH)3 + [18O]H- + [18O]H- + OT- = Al[18O]H[18O]HOT + 3OH- -Al(OH)3 + [18O]H- + [18O]D- + OH- = Al[18O]H[18O]DOH + 3OH- -Al(OH)3 + [18O]H- + [18O]D- + OD- = Al[18O]H[18O]DOD + 3OH- -Al(OH)3 + [18O]H- + [18O]D- + OT- = Al[18O]H[18O]DOT + 3OH- -Al(OH)3 + [18O]H- + [18O]T- + OH- = Al[18O]H[18O]TOH + 3OH- -Al(OH)3 + [18O]H- + [18O]T- + OD- = Al[18O]H[18O]TOD + 3OH- -Al(OH)3 + [18O]D- + OH- + OH- = Al[18O]DOHOH + 3OH- -Al(OH)3 + [18O]D- + OH- + OD- = Al[18O]DOHOD + 3OH- -Al(OH)3 + [18O]D- + OH- + OT- = Al[18O]DOHOT + 3OH- -Al(OH)3 + [18O]D- + OH- + [18O]H- = Al[18O]DOH[18O]H + 3OH- -Al(OH)3 + [18O]D- + OH- + [18O]D- = Al[18O]DOH[18O]D + 3OH- -Al(OH)3 + [18O]D- + OH- + [18O]T- = Al[18O]DOH[18O]T + 3OH- -Al(OH)3 + [18O]D- + OD- + OH- = Al[18O]DODOH + 3OH- -Al(OH)3 + [18O]D- + OD- + OT- = Al[18O]DODOT + 3OH- -Al(OH)3 + [18O]D- + OD- + [18O]H- = Al[18O]DOD[18O]H + 3OH- -Al(OH)3 + [18O]D- + OT- + OH- = Al[18O]DOTOH + 3OH- -Al(OH)3 + [18O]D- + OT- + OD- = Al[18O]DOTOD + 3OH- -Al(OH)3 + [18O]D- + OT- + [18O]H- = Al[18O]DOT[18O]H + 3OH- -Al(OH)3 + [18O]D- + [18O]H- + OH- = Al[18O]D[18O]HOH + 3OH- -Al(OH)3 + [18O]D- + [18O]H- + OD- = Al[18O]D[18O]HOD + 3OH- -Al(OH)3 + [18O]D- + [18O]H- + OT- = Al[18O]D[18O]HOT + 3OH- -Al(OH)3 + [18O]D- + [18O]D- + OH- = Al[18O]D[18O]DOH + 3OH- -Al(OH)3 + [18O]D- + [18O]T- + OH- = Al[18O]D[18O]TOH + 3OH- -Al(OH)3 + [18O]T- + OH- + OH- = Al[18O]TOHOH + 3OH- -Al(OH)3 + [18O]T- + OH- + OD- = Al[18O]TOHOD + 3OH- -Al(OH)3 + [18O]T- + OH- + [18O]H- = Al[18O]TOH[18O]H + 3OH- -Al(OH)3 + [18O]T- + OH- + [18O]D- = Al[18O]TOH[18O]D + 3OH- -Al(OH)3 + [18O]T- + OD- + OH- = Al[18O]TODOH + 3OH- -Al(OH)3 + [18O]T- + OD- + OD- = Al[18O]TODOD + 3OH- -Al(OH)3 + [18O]T- + OD- + [18O]H- = Al[18O]TOD[18O]H + 3OH- -Al(OH)3 + [18O]T- + [18O]H- + OH- = Al[18O]T[18O]HOH + 3OH- -Al(OH)3 + [18O]T- + [18O]H- + OD- = Al[18O]T[18O]HOD + 3OH- -Al(OH)3 + [18O]T- + [18O]D- + OH- = Al[18O]T[18O]DOH + 3OH- +Al(OH)3 + OH- + OH- + OD- = AlOHOHOD + 3 OH- +Al(OH)3 + OH- + OH- + OT- = AlOHOHOT + 3 OH- +Al(OH)3 + OH- + OH- + [18O]H- = AlOHOH[18O]H + 3 OH- +Al(OH)3 + OH- + OH- + [18O]D- = AlOHOH[18O]D + 3 OH- +Al(OH)3 + OH- + OH- + [18O]T- = AlOHOH[18O]T + 3 OH- +Al(OH)3 + OH- + OD- + OH- = AlOHODOH + 3 OH- +Al(OH)3 + OH- + OD- + OD- = AlOHODOD + 3 OH- +Al(OH)3 + OH- + OD- + OT- = AlOHODOT + 3 OH- +Al(OH)3 + OH- + OD- + [18O]H- = AlOHOD[18O]H + 3 OH- +Al(OH)3 + OH- + OD- + [18O]D- = AlOHOD[18O]D + 3 OH- +Al(OH)3 + OH- + OD- + [18O]T- = AlOHOD[18O]T + 3 OH- +Al(OH)3 + OH- + OT- + OH- = AlOHOTOH + 3 OH- +Al(OH)3 + OH- + OT- + OD- = AlOHOTOD + 3 OH- +Al(OH)3 + OH- + OT- + [18O]H- = AlOHOT[18O]H + 3 OH- +Al(OH)3 + OH- + OT- + [18O]D- = AlOHOT[18O]D + 3 OH- +Al(OH)3 + OH- + [18O]H- + OH- = AlOH[18O]HOH + 3 OH- +Al(OH)3 + OH- + [18O]H- + OD- = AlOH[18O]HOD + 3 OH- +Al(OH)3 + OH- + [18O]H- + OT- = AlOH[18O]HOT + 3 OH- +Al(OH)3 + OH- + [18O]H- + [18O]H- = AlOH[18O]H[18O]H + 3 OH- +Al(OH)3 + OH- + [18O]H- + [18O]D- = AlOH[18O]H[18O]D + 3 OH- +Al(OH)3 + OH- + [18O]H- + [18O]T- = AlOH[18O]H[18O]T + 3 OH- +Al(OH)3 + OH- + [18O]D- + OH- = AlOH[18O]DOH + 3 OH- +Al(OH)3 + OH- + [18O]D- + OD- = AlOH[18O]DOD + 3 OH- +Al(OH)3 + OH- + [18O]D- + OT- = AlOH[18O]DOT + 3 OH- +Al(OH)3 + OH- + [18O]D- + [18O]H- = AlOH[18O]D[18O]H + 3 OH- +Al(OH)3 + OH- + [18O]D- + [18O]D- = AlOH[18O]D[18O]D + 3 OH- +Al(OH)3 + OH- + [18O]D- + [18O]T- = AlOH[18O]D[18O]T + 3 OH- +Al(OH)3 + OH- + [18O]T- + OH- = AlOH[18O]TOH + 3 OH- +Al(OH)3 + OH- + [18O]T- + OD- = AlOH[18O]TOD + 3 OH- +Al(OH)3 + OH- + [18O]T- + [18O]H- = AlOH[18O]T[18O]H + 3 OH- +Al(OH)3 + OH- + [18O]T- + [18O]D- = AlOH[18O]T[18O]D + 3 OH- +Al(OH)3 + OD- + OH- + OH- = AlODOHOH + 3 OH- +Al(OH)3 + OD- + OH- + OD- = AlODOHOD + 3 OH- +Al(OH)3 + OD- + OH- + OT- = AlODOHOT + 3 OH- +Al(OH)3 + OD- + OH- + [18O]H- = AlODOH[18O]H + 3 OH- +Al(OH)3 + OD- + OH- + [18O]D- = AlODOH[18O]D + 3 OH- +Al(OH)3 + OD- + OH- + [18O]T- = AlODOH[18O]T + 3 OH- +Al(OH)3 + OD- + OD- + OH- = AlODODOH + 3 OH- +Al(OH)3 + OD- + OD- + OT- = AlODODOT + 3 OH- +Al(OH)3 + OD- + OD- + [18O]H- = AlODOD[18O]H + 3 OH- +Al(OH)3 + OD- + OD- + [18O]T- = AlODOD[18O]T + 3 OH- +Al(OH)3 + OD- + OT- + OH- = AlODOTOH + 3 OH- +Al(OH)3 + OD- + OT- + OD- = AlODOTOD + 3 OH- +Al(OH)3 + OD- + OT- + [18O]H- = AlODOT[18O]H + 3 OH- +Al(OH)3 + OD- + OT- + [18O]D- = AlODOT[18O]D + 3 OH- +Al(OH)3 + OD- + [18O]H- + OH- = AlOD[18O]HOH + 3 OH- +Al(OH)3 + OD- + [18O]H- + OD- = AlOD[18O]HOD + 3 OH- +Al(OH)3 + OD- + [18O]H- + OT- = AlOD[18O]HOT + 3 OH- +Al(OH)3 + OD- + [18O]H- + [18O]H- = AlOD[18O]H[18O]H + 3 OH- +Al(OH)3 + OD- + [18O]H- + [18O]D- = AlOD[18O]H[18O]D + 3 OH- +Al(OH)3 + OD- + [18O]H- + [18O]T- = AlOD[18O]H[18O]T + 3 OH- +Al(OH)3 + OD- + [18O]D- + OH- = AlOD[18O]DOH + 3 OH- +Al(OH)3 + OD- + [18O]D- + OT- = AlOD[18O]DOT + 3 OH- +Al(OH)3 + OD- + [18O]D- + [18O]H- = AlOD[18O]D[18O]H + 3 OH- +Al(OH)3 + OD- + [18O]T- + OH- = AlOD[18O]TOH + 3 OH- +Al(OH)3 + OD- + [18O]T- + OD- = AlOD[18O]TOD + 3 OH- +Al(OH)3 + OD- + [18O]T- + [18O]H- = AlOD[18O]T[18O]H + 3 OH- +Al(OH)3 + OT- + OH- + OH- = AlOTOHOH + 3 OH- +Al(OH)3 + OT- + OH- + OD- = AlOTOHOD + 3 OH- +Al(OH)3 + OT- + OH- + [18O]H- = AlOTOH[18O]H + 3 OH- +Al(OH)3 + OT- + OH- + [18O]D- = AlOTOH[18O]D + 3 OH- +Al(OH)3 + OT- + OD- + OH- = AlOTODOH + 3 OH- +Al(OH)3 + OT- + OD- + OD- = AlOTODOD + 3 OH- +Al(OH)3 + OT- + OD- + [18O]H- = AlOTOD[18O]H + 3 OH- +Al(OH)3 + OT- + OD- + [18O]D- = AlOTOD[18O]D + 3 OH- +Al(OH)3 + OT- + [18O]H- + OH- = AlOT[18O]HOH + 3 OH- +Al(OH)3 + OT- + [18O]H- + OD- = AlOT[18O]HOD + 3 OH- +Al(OH)3 + OT- + [18O]H- + [18O]H- = AlOT[18O]H[18O]H + 3 OH- +Al(OH)3 + OT- + [18O]H- + [18O]D- = AlOT[18O]H[18O]D + 3 OH- +Al(OH)3 + OT- + [18O]D- + OH- = AlOT[18O]DOH + 3 OH- +Al(OH)3 + OT- + [18O]D- + OD- = AlOT[18O]DOD + 3 OH- +Al(OH)3 + OT- + [18O]D- + [18O]H- = AlOT[18O]D[18O]H + 3 OH- +Al(OH)3 + [18O]H- + OH- + OH- = Al[18O]HOHOH + 3 OH- +Al(OH)3 + [18O]H- + OH- + OD- = Al[18O]HOHOD + 3 OH- +Al(OH)3 + [18O]H- + OH- + OT- = Al[18O]HOHOT + 3 OH- +Al(OH)3 + [18O]H- + OH- + [18O]H- = Al[18O]HOH[18O]H + 3 OH- +Al(OH)3 + [18O]H- + OH- + [18O]D- = Al[18O]HOH[18O]D + 3 OH- +Al(OH)3 + [18O]H- + OH- + [18O]T- = Al[18O]HOH[18O]T + 3 OH- +Al(OH)3 + [18O]H- + OD- + OH- = Al[18O]HODOH + 3 OH- +Al(OH)3 + [18O]H- + OD- + OD- = Al[18O]HODOD + 3 OH- +Al(OH)3 + [18O]H- + OD- + OT- = Al[18O]HODOT + 3 OH- +Al(OH)3 + [18O]H- + OD- + [18O]H- = Al[18O]HOD[18O]H + 3 OH- +Al(OH)3 + [18O]H- + OD- + [18O]D- = Al[18O]HOD[18O]D + 3 OH- +Al(OH)3 + [18O]H- + OD- + [18O]T- = Al[18O]HOD[18O]T + 3 OH- +Al(OH)3 + [18O]H- + OT- + OH- = Al[18O]HOTOH + 3 OH- +Al(OH)3 + [18O]H- + OT- + OD- = Al[18O]HOTOD + 3 OH- +Al(OH)3 + [18O]H- + OT- + [18O]H- = Al[18O]HOT[18O]H + 3 OH- +Al(OH)3 + [18O]H- + OT- + [18O]D- = Al[18O]HOT[18O]D + 3 OH- +Al(OH)3 + [18O]H- + [18O]H- + OH- = Al[18O]H[18O]HOH + 3 OH- +Al(OH)3 + [18O]H- + [18O]H- + OD- = Al[18O]H[18O]HOD + 3 OH- +Al(OH)3 + [18O]H- + [18O]H- + OT- = Al[18O]H[18O]HOT + 3 OH- +Al(OH)3 + [18O]H- + [18O]D- + OH- = Al[18O]H[18O]DOH + 3 OH- +Al(OH)3 + [18O]H- + [18O]D- + OD- = Al[18O]H[18O]DOD + 3 OH- +Al(OH)3 + [18O]H- + [18O]D- + OT- = Al[18O]H[18O]DOT + 3 OH- +Al(OH)3 + [18O]H- + [18O]T- + OH- = Al[18O]H[18O]TOH + 3 OH- +Al(OH)3 + [18O]H- + [18O]T- + OD- = Al[18O]H[18O]TOD + 3 OH- +Al(OH)3 + [18O]D- + OH- + OH- = Al[18O]DOHOH + 3 OH- +Al(OH)3 + [18O]D- + OH- + OD- = Al[18O]DOHOD + 3 OH- +Al(OH)3 + [18O]D- + OH- + OT- = Al[18O]DOHOT + 3 OH- +Al(OH)3 + [18O]D- + OH- + [18O]H- = Al[18O]DOH[18O]H + 3 OH- +Al(OH)3 + [18O]D- + OH- + [18O]D- = Al[18O]DOH[18O]D + 3 OH- +Al(OH)3 + [18O]D- + OH- + [18O]T- = Al[18O]DOH[18O]T + 3 OH- +Al(OH)3 + [18O]D- + OD- + OH- = Al[18O]DODOH + 3 OH- +Al(OH)3 + [18O]D- + OD- + OT- = Al[18O]DODOT + 3 OH- +Al(OH)3 + [18O]D- + OD- + [18O]H- = Al[18O]DOD[18O]H + 3 OH- +Al(OH)3 + [18O]D- + OT- + OH- = Al[18O]DOTOH + 3 OH- +Al(OH)3 + [18O]D- + OT- + OD- = Al[18O]DOTOD + 3 OH- +Al(OH)3 + [18O]D- + OT- + [18O]H- = Al[18O]DOT[18O]H + 3 OH- +Al(OH)3 + [18O]D- + [18O]H- + OH- = Al[18O]D[18O]HOH + 3 OH- +Al(OH)3 + [18O]D- + [18O]H- + OD- = Al[18O]D[18O]HOD + 3 OH- +Al(OH)3 + [18O]D- + [18O]H- + OT- = Al[18O]D[18O]HOT + 3 OH- +Al(OH)3 + [18O]D- + [18O]D- + OH- = Al[18O]D[18O]DOH + 3 OH- +Al(OH)3 + [18O]D- + [18O]T- + OH- = Al[18O]D[18O]TOH + 3 OH- +Al(OH)3 + [18O]T- + OH- + OH- = Al[18O]TOHOH + 3 OH- +Al(OH)3 + [18O]T- + OH- + OD- = Al[18O]TOHOD + 3 OH- +Al(OH)3 + [18O]T- + OH- + [18O]H- = Al[18O]TOH[18O]H + 3 OH- +Al(OH)3 + [18O]T- + OH- + [18O]D- = Al[18O]TOH[18O]D + 3 OH- +Al(OH)3 + [18O]T- + OD- + OH- = Al[18O]TODOH + 3 OH- +Al(OH)3 + [18O]T- + OD- + OD- = Al[18O]TODOD + 3 OH- +Al(OH)3 + [18O]T- + OD- + [18O]H- = Al[18O]TOD[18O]H + 3 OH- +Al(OH)3 + [18O]T- + [18O]H- + OH- = Al[18O]T[18O]HOH + 3 OH- +Al(OH)3 + [18O]T- + [18O]H- + OD- = Al[18O]T[18O]HOD + 3 OH- +Al(OH)3 + [18O]T- + [18O]D- + OH- = Al[18O]T[18O]DOH + 3 OH- # # Added Al(OH)4- reactions 16Dec09 # Revised 17Dec09, limited the number of species # -Al(OH)4- + OH- + OH- + OH- + OD- = AlOHOHOHOD- + 4OH- -Al(OH)4- + OH- + OH- + OH- + OT- = AlOHOHOHOT- + 4OH- -Al(OH)4- + OH- + OH- + OH- + [18O]H- = AlOHOHOH[18O]H- + 4OH- -Al(OH)4- + OH- + OH- + OH- + [18O]D- = AlOHOHOH[18O]D- + 4OH- -Al(OH)4- + OH- + OH- + OH- + [18O]T- = AlOHOHOH[18O]T- + 4OH- -Al(OH)4- + OH- + OH- + OD- + OH- = AlOHOHODOH- + 4OH- -Al(OH)4- + OH- + OH- + OD- + OD- = AlOHOHODOD- + 4OH- -Al(OH)4- + OH- + OH- + OD- + OT- = AlOHOHODOT- + 4OH- -Al(OH)4- + OH- + OH- + OD- + [18O]H- = AlOHOHOD[18O]H- + 4OH- -Al(OH)4- + OH- + OH- + OD- + [18O]D- = AlOHOHOD[18O]D- + 4OH- -Al(OH)4- + OH- + OH- + OD- + [18O]T- = AlOHOHOD[18O]T- + 4OH- -Al(OH)4- + OH- + OH- + OT- + OH- = AlOHOHOTOH- + 4OH- -Al(OH)4- + OH- + OH- + OT- + OD- = AlOHOHOTOD- + 4OH- -Al(OH)4- + OH- + OH- + OT- + [18O]H- = AlOHOHOT[18O]H- + 4OH- -Al(OH)4- + OH- + OH- + OT- + [18O]D- = AlOHOHOT[18O]D- + 4OH- -Al(OH)4- + OH- + OH- + [18O]H- + OH- = AlOHOH[18O]HOH- + 4OH- -Al(OH)4- + OH- + OH- + [18O]H- + OD- = AlOHOH[18O]HOD- + 4OH- -Al(OH)4- + OH- + OH- + [18O]H- + OT- = AlOHOH[18O]HOT- + 4OH- -Al(OH)4- + OH- + OH- + [18O]H- + [18O]H- = AlOHOH[18O]H[18O]H- + 4OH- -Al(OH)4- + OH- + OH- + [18O]H- + [18O]D- = AlOHOH[18O]H[18O]D- + 4OH- -Al(OH)4- + OH- + OH- + [18O]H- + [18O]T- = AlOHOH[18O]H[18O]T- + 4OH- -Al(OH)4- + OH- + OH- + [18O]D- + OH- = AlOHOH[18O]DOH- + 4OH- -Al(OH)4- + OH- + OH- + [18O]D- + OD- = AlOHOH[18O]DOD- + 4OH- -Al(OH)4- + OH- + OH- + [18O]D- + OT- = AlOHOH[18O]DOT- + 4OH- -Al(OH)4- + OH- + OH- + [18O]D- + [18O]H- = AlOHOH[18O]D[18O]H- + 4OH- -Al(OH)4- + OH- + OH- + [18O]D- + [18O]D- = AlOHOH[18O]D[18O]D- + 4OH- -Al(OH)4- + OH- + OH- + [18O]D- + [18O]T- = AlOHOH[18O]D[18O]T- + 4OH- -Al(OH)4- + OH- + OH- + [18O]T- + OH- = AlOHOH[18O]TOH- + 4OH- -Al(OH)4- + OH- + OH- + [18O]T- + OD- = AlOHOH[18O]TOD- + 4OH- -Al(OH)4- + OH- + OH- + [18O]T- + [18O]H- = AlOHOH[18O]T[18O]H- + 4OH- -Al(OH)4- + OH- + OH- + [18O]T- + [18O]D- = AlOHOH[18O]T[18O]D- + 4OH- -Al(OH)4- + OH- + OD- + OH- + OH- = AlOHODOHOH- + 4OH- -Al(OH)4- + OH- + OD- + OH- + OD- = AlOHODOHOD- + 4OH- -Al(OH)4- + OH- + OD- + OH- + OT- = AlOHODOHOT- + 4OH- -Al(OH)4- + OH- + OD- + OH- + [18O]H- = AlOHODOH[18O]H- + 4OH- -Al(OH)4- + OH- + OD- + OH- + [18O]D- = AlOHODOH[18O]D- + 4OH- -Al(OH)4- + OH- + OD- + OH- + [18O]T- = AlOHODOH[18O]T- + 4OH- -Al(OH)4- + OH- + OD- + OD- + OH- = AlOHODODOH- + 4OH- -Al(OH)4- + OH- + OD- + OD- + OT- = AlOHODODOT- + 4OH- -Al(OH)4- + OH- + OD- + OD- + [18O]H- = AlOHODOD[18O]H- + 4OH- -Al(OH)4- + OH- + OD- + OD- + [18O]T- = AlOHODOD[18O]T- + 4OH- -Al(OH)4- + OH- + OD- + OT- + OH- = AlOHODOTOH- + 4OH- -Al(OH)4- + OH- + OD- + OT- + OD- = AlOHODOTOD- + 4OH- -Al(OH)4- + OH- + OD- + OT- + [18O]H- = AlOHODOT[18O]H- + 4OH- -Al(OH)4- + OH- + OD- + OT- + [18O]D- = AlOHODOT[18O]D- + 4OH- -Al(OH)4- + OH- + OD- + [18O]H- + OH- = AlOHOD[18O]HOH- + 4OH- -Al(OH)4- + OH- + OD- + [18O]H- + OD- = AlOHOD[18O]HOD- + 4OH- -Al(OH)4- + OH- + OD- + [18O]H- + OT- = AlOHOD[18O]HOT- + 4OH- -Al(OH)4- + OH- + OD- + [18O]H- + [18O]H- = AlOHOD[18O]H[18O]H- + 4OH- -Al(OH)4- + OH- + OD- + [18O]H- + [18O]D- = AlOHOD[18O]H[18O]D- + 4OH- -Al(OH)4- + OH- + OD- + [18O]H- + [18O]T- = AlOHOD[18O]H[18O]T- + 4OH- -Al(OH)4- + OH- + OD- + [18O]D- + OH- = AlOHOD[18O]DOH- + 4OH- -Al(OH)4- + OH- + OD- + [18O]D- + OT- = AlOHOD[18O]DOT- + 4OH- -Al(OH)4- + OH- + OD- + [18O]D- + [18O]H- = AlOHOD[18O]D[18O]H- + 4OH- -Al(OH)4- + OH- + OD- + [18O]T- + OH- = AlOHOD[18O]TOH- + 4OH- -Al(OH)4- + OH- + OD- + [18O]T- + OD- = AlOHOD[18O]TOD- + 4OH- -Al(OH)4- + OH- + OD- + [18O]T- + [18O]H- = AlOHOD[18O]T[18O]H- + 4OH- -Al(OH)4- + OH- + OT- + OH- + OH- = AlOHOTOHOH- + 4OH- -Al(OH)4- + OH- + OT- + OH- + OD- = AlOHOTOHOD- + 4OH- -Al(OH)4- + OH- + OT- + OH- + [18O]H- = AlOHOTOH[18O]H- + 4OH- -Al(OH)4- + OH- + OT- + OH- + [18O]D- = AlOHOTOH[18O]D- + 4OH- -Al(OH)4- + OH- + OT- + OD- + OH- = AlOHOTODOH- + 4OH- -Al(OH)4- + OH- + OT- + OD- + OD- = AlOHOTODOD- + 4OH- -Al(OH)4- + OH- + OT- + OD- + [18O]H- = AlOHOTOD[18O]H- + 4OH- -Al(OH)4- + OH- + OT- + OD- + [18O]D- = AlOHOTOD[18O]D- + 4OH- -Al(OH)4- + OH- + OT- + [18O]H- + OH- = AlOHOT[18O]HOH- + 4OH- -Al(OH)4- + OH- + OT- + [18O]H- + OD- = AlOHOT[18O]HOD- + 4OH- -Al(OH)4- + OH- + OT- + [18O]H- + [18O]H- = AlOHOT[18O]H[18O]H- + 4OH- -Al(OH)4- + OH- + OT- + [18O]H- + [18O]D- = AlOHOT[18O]H[18O]D- + 4OH- -Al(OH)4- + OH- + OT- + [18O]D- + OH- = AlOHOT[18O]DOH- + 4OH- -Al(OH)4- + OH- + OT- + [18O]D- + OD- = AlOHOT[18O]DOD- + 4OH- -Al(OH)4- + OH- + OT- + [18O]D- + [18O]H- = AlOHOT[18O]D[18O]H- + 4OH- -Al(OH)4- + OH- + [18O]H- + OH- + OH- = AlOH[18O]HOHOH- + 4OH- -Al(OH)4- + OH- + [18O]H- + OH- + OD- = AlOH[18O]HOHOD- + 4OH- -Al(OH)4- + OH- + [18O]H- + OH- + OT- = AlOH[18O]HOHOT- + 4OH- -Al(OH)4- + OH- + [18O]H- + OH- + [18O]H- = AlOH[18O]HOH[18O]H- + 4OH- -Al(OH)4- + OH- + [18O]H- + OH- + [18O]D- = AlOH[18O]HOH[18O]D- + 4OH- -Al(OH)4- + OH- + [18O]H- + OH- + [18O]T- = AlOH[18O]HOH[18O]T- + 4OH- -Al(OH)4- + OH- + [18O]H- + OD- + OH- = AlOH[18O]HODOH- + 4OH- -Al(OH)4- + OH- + [18O]H- + OD- + OD- = AlOH[18O]HODOD- + 4OH- -Al(OH)4- + OH- + [18O]H- + OD- + OT- = AlOH[18O]HODOT- + 4OH- -Al(OH)4- + OH- + [18O]H- + OD- + [18O]H- = AlOH[18O]HOD[18O]H- + 4OH- -Al(OH)4- + OH- + [18O]H- + OD- + [18O]D- = AlOH[18O]HOD[18O]D- + 4OH- -Al(OH)4- + OH- + [18O]H- + OD- + [18O]T- = AlOH[18O]HOD[18O]T- + 4OH- -Al(OH)4- + OH- + [18O]H- + OT- + OH- = AlOH[18O]HOTOH- + 4OH- -Al(OH)4- + OH- + [18O]H- + OT- + OD- = AlOH[18O]HOTOD- + 4OH- -Al(OH)4- + OH- + [18O]H- + OT- + [18O]H- = AlOH[18O]HOT[18O]H- + 4OH- -Al(OH)4- + OH- + [18O]H- + OT- + [18O]D- = AlOH[18O]HOT[18O]D- + 4OH- -Al(OH)4- + OH- + [18O]H- + [18O]H- + OH- = AlOH[18O]H[18O]HOH- + 4OH- -Al(OH)4- + OH- + [18O]H- + [18O]H- + OD- = AlOH[18O]H[18O]HOD- + 4OH- -Al(OH)4- + OH- + [18O]H- + [18O]H- + OT- = AlOH[18O]H[18O]HOT- + 4OH- -Al(OH)4- + OH- + [18O]H- + [18O]D- + OH- = AlOH[18O]H[18O]DOH- + 4OH- -Al(OH)4- + OH- + [18O]H- + [18O]D- + OD- = AlOH[18O]H[18O]DOD- + 4OH- -Al(OH)4- + OH- + [18O]H- + [18O]D- + OT- = AlOH[18O]H[18O]DOT- + 4OH- -Al(OH)4- + OH- + [18O]H- + [18O]T- + OH- = AlOH[18O]H[18O]TOH- + 4OH- -Al(OH)4- + OH- + [18O]H- + [18O]T- + OD- = AlOH[18O]H[18O]TOD- + 4OH- -Al(OH)4- + OH- + [18O]D- + OH- + OH- = AlOH[18O]DOHOH- + 4OH- -Al(OH)4- + OH- + [18O]D- + OH- + OD- = AlOH[18O]DOHOD- + 4OH- -Al(OH)4- + OH- + [18O]D- + OH- + OT- = AlOH[18O]DOHOT- + 4OH- -Al(OH)4- + OH- + [18O]D- + OH- + [18O]H- = AlOH[18O]DOH[18O]H- + 4OH- -Al(OH)4- + OH- + [18O]D- + OH- + [18O]D- = AlOH[18O]DOH[18O]D- + 4OH- -Al(OH)4- + OH- + [18O]D- + OH- + [18O]T- = AlOH[18O]DOH[18O]T- + 4OH- -Al(OH)4- + OH- + [18O]D- + OD- + OH- = AlOH[18O]DODOH- + 4OH- -Al(OH)4- + OH- + [18O]D- + OD- + OT- = AlOH[18O]DODOT- + 4OH- -Al(OH)4- + OH- + [18O]D- + OD- + [18O]H- = AlOH[18O]DOD[18O]H- + 4OH- -Al(OH)4- + OH- + [18O]D- + OT- + OH- = AlOH[18O]DOTOH- + 4OH- -Al(OH)4- + OH- + [18O]D- + OT- + OD- = AlOH[18O]DOTOD- + 4OH- -Al(OH)4- + OH- + [18O]D- + OT- + [18O]H- = AlOH[18O]DOT[18O]H- + 4OH- -Al(OH)4- + OH- + [18O]D- + [18O]H- + OH- = AlOH[18O]D[18O]HOH- + 4OH- -Al(OH)4- + OH- + [18O]D- + [18O]H- + OD- = AlOH[18O]D[18O]HOD- + 4OH- -Al(OH)4- + OH- + [18O]D- + [18O]H- + OT- = AlOH[18O]D[18O]HOT- + 4OH- -Al(OH)4- + OH- + [18O]D- + [18O]D- + OH- = AlOH[18O]D[18O]DOH- + 4OH- -Al(OH)4- + OH- + [18O]D- + [18O]T- + OH- = AlOH[18O]D[18O]TOH- + 4OH- -Al(OH)4- + OH- + [18O]T- + OH- + OH- = AlOH[18O]TOHOH- + 4OH- -Al(OH)4- + OH- + [18O]T- + OH- + OD- = AlOH[18O]TOHOD- + 4OH- -Al(OH)4- + OH- + [18O]T- + OH- + [18O]H- = AlOH[18O]TOH[18O]H- + 4OH- -Al(OH)4- + OH- + [18O]T- + OH- + [18O]D- = AlOH[18O]TOH[18O]D- + 4OH- -Al(OH)4- + OH- + [18O]T- + OD- + OH- = AlOH[18O]TODOH- + 4OH- -Al(OH)4- + OH- + [18O]T- + OD- + OD- = AlOH[18O]TODOD- + 4OH- -Al(OH)4- + OH- + [18O]T- + OD- + [18O]H- = AlOH[18O]TOD[18O]H- + 4OH- -Al(OH)4- + OH- + [18O]T- + [18O]H- + OH- = AlOH[18O]T[18O]HOH- + 4OH- -Al(OH)4- + OH- + [18O]T- + [18O]H- + OD- = AlOH[18O]T[18O]HOD- + 4OH- -Al(OH)4- + OH- + [18O]T- + [18O]D- + OH- = AlOH[18O]T[18O]DOH- + 4OH- -Al(OH)4- + OD- + OH- + OH- + OH- = AlODOHOHOH- + 4OH- -Al(OH)4- + OD- + OH- + OH- + OD- = AlODOHOHOD- + 4OH- -Al(OH)4- + OD- + OH- + OH- + OT- = AlODOHOHOT- + 4OH- -Al(OH)4- + OD- + OH- + OH- + [18O]H- = AlODOHOH[18O]H- + 4OH- -Al(OH)4- + OD- + OH- + OH- + [18O]D- = AlODOHOH[18O]D- + 4OH- -Al(OH)4- + OD- + OH- + OH- + [18O]T- = AlODOHOH[18O]T- + 4OH- -Al(OH)4- + OD- + OH- + OD- + OH- = AlODOHODOH- + 4OH- -Al(OH)4- + OD- + OH- + OD- + OT- = AlODOHODOT- + 4OH- -Al(OH)4- + OD- + OH- + OD- + [18O]H- = AlODOHOD[18O]H- + 4OH- -Al(OH)4- + OD- + OH- + OD- + [18O]T- = AlODOHOD[18O]T- + 4OH- -Al(OH)4- + OD- + OH- + OT- + OH- = AlODOHOTOH- + 4OH- -Al(OH)4- + OD- + OH- + OT- + OD- = AlODOHOTOD- + 4OH- -Al(OH)4- + OD- + OH- + OT- + [18O]H- = AlODOHOT[18O]H- + 4OH- -Al(OH)4- + OD- + OH- + OT- + [18O]D- = AlODOHOT[18O]D- + 4OH- -Al(OH)4- + OD- + OH- + [18O]H- + OH- = AlODOH[18O]HOH- + 4OH- -Al(OH)4- + OD- + OH- + [18O]H- + OD- = AlODOH[18O]HOD- + 4OH- -Al(OH)4- + OD- + OH- + [18O]H- + OT- = AlODOH[18O]HOT- + 4OH- -Al(OH)4- + OD- + OH- + [18O]H- + [18O]H- = AlODOH[18O]H[18O]H- + 4OH- -Al(OH)4- + OD- + OH- + [18O]H- + [18O]D- = AlODOH[18O]H[18O]D- + 4OH- -Al(OH)4- + OD- + OH- + [18O]H- + [18O]T- = AlODOH[18O]H[18O]T- + 4OH- -Al(OH)4- + OD- + OH- + [18O]D- + OH- = AlODOH[18O]DOH- + 4OH- -Al(OH)4- + OD- + OH- + [18O]D- + OT- = AlODOH[18O]DOT- + 4OH- -Al(OH)4- + OD- + OH- + [18O]D- + [18O]H- = AlODOH[18O]D[18O]H- + 4OH- -Al(OH)4- + OD- + OH- + [18O]T- + OH- = AlODOH[18O]TOH- + 4OH- -Al(OH)4- + OD- + OH- + [18O]T- + OD- = AlODOH[18O]TOD- + 4OH- -Al(OH)4- + OD- + OH- + [18O]T- + [18O]H- = AlODOH[18O]T[18O]H- + 4OH- -Al(OH)4- + OD- + OD- + OH- + OH- = AlODODOHOH- + 4OH- -Al(OH)4- + OD- + OD- + OH- + OT- = AlODODOHOT- + 4OH- -Al(OH)4- + OD- + OD- + OH- + [18O]H- = AlODODOH[18O]H- + 4OH- -Al(OH)4- + OD- + OD- + OH- + [18O]T- = AlODODOH[18O]T- + 4OH- -Al(OH)4- + OD- + OD- + OT- + OH- = AlODODOTOH- + 4OH- -Al(OH)4- + OD- + OD- + OT- + [18O]H- = AlODODOT[18O]H- + 4OH- -Al(OH)4- + OD- + OD- + [18O]H- + OH- = AlODOD[18O]HOH- + 4OH- -Al(OH)4- + OD- + OD- + [18O]H- + OT- = AlODOD[18O]HOT- + 4OH- -Al(OH)4- + OD- + OD- + [18O]H- + [18O]H- = AlODOD[18O]H[18O]H- + 4OH- -Al(OH)4- + OD- + OD- + [18O]T- + OH- = AlODOD[18O]TOH- + 4OH- -Al(OH)4- + OD- + OT- + OH- + OH- = AlODOTOHOH- + 4OH- -Al(OH)4- + OD- + OT- + OH- + OD- = AlODOTOHOD- + 4OH- -Al(OH)4- + OD- + OT- + OH- + [18O]H- = AlODOTOH[18O]H- + 4OH- -Al(OH)4- + OD- + OT- + OH- + [18O]D- = AlODOTOH[18O]D- + 4OH- -Al(OH)4- + OD- + OT- + OD- + OH- = AlODOTODOH- + 4OH- -Al(OH)4- + OD- + OT- + OD- + [18O]H- = AlODOTOD[18O]H- + 4OH- -Al(OH)4- + OD- + OT- + [18O]H- + OH- = AlODOT[18O]HOH- + 4OH- -Al(OH)4- + OD- + OT- + [18O]H- + OD- = AlODOT[18O]HOD- + 4OH- -Al(OH)4- + OD- + OT- + [18O]H- + [18O]H- = AlODOT[18O]H[18O]H- + 4OH- -Al(OH)4- + OD- + OT- + [18O]D- + OH- = AlODOT[18O]DOH- + 4OH- -Al(OH)4- + OD- + [18O]H- + OH- + OH- = AlOD[18O]HOHOH- + 4OH- -Al(OH)4- + OD- + [18O]H- + OH- + OD- = AlOD[18O]HOHOD- + 4OH- -Al(OH)4- + OD- + [18O]H- + OH- + OT- = AlOD[18O]HOHOT- + 4OH- -Al(OH)4- + OD- + [18O]H- + OH- + [18O]H- = AlOD[18O]HOH[18O]H- + 4OH- -Al(OH)4- + OD- + [18O]H- + OH- + [18O]D- = AlOD[18O]HOH[18O]D- + 4OH- -Al(OH)4- + OD- + [18O]H- + OH- + [18O]T- = AlOD[18O]HOH[18O]T- + 4OH- -Al(OH)4- + OD- + [18O]H- + OD- + OH- = AlOD[18O]HODOH- + 4OH- -Al(OH)4- + OD- + [18O]H- + OD- + OT- = AlOD[18O]HODOT- + 4OH- -Al(OH)4- + OD- + [18O]H- + OD- + [18O]H- = AlOD[18O]HOD[18O]H- + 4OH- -Al(OH)4- + OD- + [18O]H- + OT- + OH- = AlOD[18O]HOTOH- + 4OH- -Al(OH)4- + OD- + [18O]H- + OT- + OD- = AlOD[18O]HOTOD- + 4OH- -Al(OH)4- + OD- + [18O]H- + OT- + [18O]H- = AlOD[18O]HOT[18O]H- + 4OH- -Al(OH)4- + OD- + [18O]H- + [18O]H- + OH- = AlOD[18O]H[18O]HOH- + 4OH- -Al(OH)4- + OD- + [18O]H- + [18O]H- + OD- = AlOD[18O]H[18O]HOD- + 4OH- -Al(OH)4- + OD- + [18O]H- + [18O]H- + OT- = AlOD[18O]H[18O]HOT- + 4OH- -Al(OH)4- + OD- + [18O]H- + [18O]D- + OH- = AlOD[18O]H[18O]DOH- + 4OH- -Al(OH)4- + OD- + [18O]H- + [18O]T- + OH- = AlOD[18O]H[18O]TOH- + 4OH- -Al(OH)4- + OD- + [18O]D- + OH- + OH- = AlOD[18O]DOHOH- + 4OH- -Al(OH)4- + OD- + [18O]D- + OH- + OT- = AlOD[18O]DOHOT- + 4OH- -Al(OH)4- + OD- + [18O]D- + OH- + [18O]H- = AlOD[18O]DOH[18O]H- + 4OH- -Al(OH)4- + OD- + [18O]D- + OT- + OH- = AlOD[18O]DOTOH- + 4OH- -Al(OH)4- + OD- + [18O]D- + [18O]H- + OH- = AlOD[18O]D[18O]HOH- + 4OH- -Al(OH)4- + OD- + [18O]T- + OH- + OH- = AlOD[18O]TOHOH- + 4OH- -Al(OH)4- + OD- + [18O]T- + OH- + OD- = AlOD[18O]TOHOD- + 4OH- -Al(OH)4- + OD- + [18O]T- + OH- + [18O]H- = AlOD[18O]TOH[18O]H- + 4OH- -Al(OH)4- + OD- + [18O]T- + OD- + OH- = AlOD[18O]TODOH- + 4OH- -Al(OH)4- + OD- + [18O]T- + [18O]H- + OH- = AlOD[18O]T[18O]HOH- + 4OH- -Al(OH)4- + OT- + OH- + OH- + OH- = AlOTOHOHOH- + 4OH- -Al(OH)4- + OT- + OH- + OH- + OD- = AlOTOHOHOD- + 4OH- -Al(OH)4- + OT- + OH- + OH- + [18O]H- = AlOTOHOH[18O]H- + 4OH- -Al(OH)4- + OT- + OH- + OH- + [18O]D- = AlOTOHOH[18O]D- + 4OH- -Al(OH)4- + OT- + OH- + OD- + OH- = AlOTOHODOH- + 4OH- -Al(OH)4- + OT- + OH- + OD- + OD- = AlOTOHODOD- + 4OH- -Al(OH)4- + OT- + OH- + OD- + [18O]H- = AlOTOHOD[18O]H- + 4OH- -Al(OH)4- + OT- + OH- + OD- + [18O]D- = AlOTOHOD[18O]D- + 4OH- -Al(OH)4- + OT- + OH- + [18O]H- + OH- = AlOTOH[18O]HOH- + 4OH- -Al(OH)4- + OT- + OH- + [18O]H- + OD- = AlOTOH[18O]HOD- + 4OH- -Al(OH)4- + OT- + OH- + [18O]H- + [18O]H- = AlOTOH[18O]H[18O]H- + 4OH- -Al(OH)4- + OT- + OH- + [18O]H- + [18O]D- = AlOTOH[18O]H[18O]D- + 4OH- -Al(OH)4- + OT- + OH- + [18O]D- + OH- = AlOTOH[18O]DOH- + 4OH- -Al(OH)4- + OT- + OH- + [18O]D- + OD- = AlOTOH[18O]DOD- + 4OH- -Al(OH)4- + OT- + OH- + [18O]D- + [18O]H- = AlOTOH[18O]D[18O]H- + 4OH- -Al(OH)4- + OT- + OD- + OH- + OH- = AlOTODOHOH- + 4OH- -Al(OH)4- + OT- + OD- + OH- + OD- = AlOTODOHOD- + 4OH- -Al(OH)4- + OT- + OD- + OH- + [18O]H- = AlOTODOH[18O]H- + 4OH- -Al(OH)4- + OT- + OD- + OH- + [18O]D- = AlOTODOH[18O]D- + 4OH- -Al(OH)4- + OT- + OD- + OD- + OH- = AlOTODODOH- + 4OH- -Al(OH)4- + OT- + OD- + OD- + [18O]H- = AlOTODOD[18O]H- + 4OH- -Al(OH)4- + OT- + OD- + [18O]H- + OH- = AlOTOD[18O]HOH- + 4OH- -Al(OH)4- + OT- + OD- + [18O]H- + OD- = AlOTOD[18O]HOD- + 4OH- -Al(OH)4- + OT- + OD- + [18O]H- + [18O]H- = AlOTOD[18O]H[18O]H- + 4OH- -Al(OH)4- + OT- + OD- + [18O]D- + OH- = AlOTOD[18O]DOH- + 4OH- -Al(OH)4- + OT- + [18O]H- + OH- + OH- = AlOT[18O]HOHOH- + 4OH- -Al(OH)4- + OT- + [18O]H- + OH- + OD- = AlOT[18O]HOHOD- + 4OH- -Al(OH)4- + OT- + [18O]H- + OH- + [18O]H- = AlOT[18O]HOH[18O]H- + 4OH- -Al(OH)4- + OT- + [18O]H- + OH- + [18O]D- = AlOT[18O]HOH[18O]D- + 4OH- -Al(OH)4- + OT- + [18O]H- + OD- + OH- = AlOT[18O]HODOH- + 4OH- -Al(OH)4- + OT- + [18O]H- + OD- + OD- = AlOT[18O]HODOD- + 4OH- -Al(OH)4- + OT- + [18O]H- + OD- + [18O]H- = AlOT[18O]HOD[18O]H- + 4OH- -Al(OH)4- + OT- + [18O]H- + [18O]H- + OH- = AlOT[18O]H[18O]HOH- + 4OH- -Al(OH)4- + OT- + [18O]H- + [18O]H- + OD- = AlOT[18O]H[18O]HOD- + 4OH- -Al(OH)4- + OT- + [18O]H- + [18O]D- + OH- = AlOT[18O]H[18O]DOH- + 4OH- -Al(OH)4- + OT- + [18O]D- + OH- + OH- = AlOT[18O]DOHOH- + 4OH- -Al(OH)4- + OT- + [18O]D- + OH- + OD- = AlOT[18O]DOHOD- + 4OH- -Al(OH)4- + OT- + [18O]D- + OH- + [18O]H- = AlOT[18O]DOH[18O]H- + 4OH- -Al(OH)4- + OT- + [18O]D- + OD- + OH- = AlOT[18O]DODOH- + 4OH- -Al(OH)4- + OT- + [18O]D- + [18O]H- + OH- = AlOT[18O]D[18O]HOH- + 4OH- -Al(OH)4- + [18O]H- + OH- + OH- + OH- = Al[18O]HOHOHOH- + 4OH- -Al(OH)4- + [18O]H- + OH- + OH- + OD- = Al[18O]HOHOHOD- + 4OH- -Al(OH)4- + [18O]H- + OH- + OH- + OT- = Al[18O]HOHOHOT- + 4OH- -Al(OH)4- + [18O]H- + OH- + OH- + [18O]H- = Al[18O]HOHOH[18O]H- + 4OH- -Al(OH)4- + [18O]H- + OH- + OH- + [18O]D- = Al[18O]HOHOH[18O]D- + 4OH- -Al(OH)4- + [18O]H- + OH- + OH- + [18O]T- = Al[18O]HOHOH[18O]T- + 4OH- -Al(OH)4- + [18O]H- + OH- + OD- + OH- = Al[18O]HOHODOH- + 4OH- -Al(OH)4- + [18O]H- + OH- + OD- + OD- = Al[18O]HOHODOD- + 4OH- -Al(OH)4- + [18O]H- + OH- + OD- + OT- = Al[18O]HOHODOT- + 4OH- -Al(OH)4- + [18O]H- + OH- + OD- + [18O]H- = Al[18O]HOHOD[18O]H- + 4OH- -Al(OH)4- + [18O]H- + OH- + OD- + [18O]D- = Al[18O]HOHOD[18O]D- + 4OH- -Al(OH)4- + [18O]H- + OH- + OD- + [18O]T- = Al[18O]HOHOD[18O]T- + 4OH- -Al(OH)4- + [18O]H- + OH- + OT- + OH- = Al[18O]HOHOTOH- + 4OH- -Al(OH)4- + [18O]H- + OH- + OT- + OD- = Al[18O]HOHOTOD- + 4OH- -Al(OH)4- + [18O]H- + OH- + OT- + [18O]H- = Al[18O]HOHOT[18O]H- + 4OH- -Al(OH)4- + [18O]H- + OH- + OT- + [18O]D- = Al[18O]HOHOT[18O]D- + 4OH- -Al(OH)4- + [18O]H- + OH- + [18O]H- + OH- = Al[18O]HOH[18O]HOH- + 4OH- -Al(OH)4- + [18O]H- + OH- + [18O]H- + OD- = Al[18O]HOH[18O]HOD- + 4OH- -Al(OH)4- + [18O]H- + OH- + [18O]H- + OT- = Al[18O]HOH[18O]HOT- + 4OH- -Al(OH)4- + [18O]H- + OH- + [18O]D- + OH- = Al[18O]HOH[18O]DOH- + 4OH- -Al(OH)4- + [18O]H- + OH- + [18O]D- + OD- = Al[18O]HOH[18O]DOD- + 4OH- -Al(OH)4- + [18O]H- + OH- + [18O]D- + OT- = Al[18O]HOH[18O]DOT- + 4OH- -Al(OH)4- + [18O]H- + OH- + [18O]T- + OH- = Al[18O]HOH[18O]TOH- + 4OH- -Al(OH)4- + [18O]H- + OH- + [18O]T- + OD- = Al[18O]HOH[18O]TOD- + 4OH- -Al(OH)4- + [18O]H- + OD- + OH- + OH- = Al[18O]HODOHOH- + 4OH- -Al(OH)4- + [18O]H- + OD- + OH- + OD- = Al[18O]HODOHOD- + 4OH- -Al(OH)4- + [18O]H- + OD- + OH- + OT- = Al[18O]HODOHOT- + 4OH- -Al(OH)4- + [18O]H- + OD- + OH- + [18O]H- = Al[18O]HODOH[18O]H- + 4OH- -Al(OH)4- + [18O]H- + OD- + OH- + [18O]D- = Al[18O]HODOH[18O]D- + 4OH- -Al(OH)4- + [18O]H- + OD- + OH- + [18O]T- = Al[18O]HODOH[18O]T- + 4OH- -Al(OH)4- + [18O]H- + OD- + OD- + OH- = Al[18O]HODODOH- + 4OH- -Al(OH)4- + [18O]H- + OD- + OD- + OT- = Al[18O]HODODOT- + 4OH- -Al(OH)4- + [18O]H- + OD- + OD- + [18O]H- = Al[18O]HODOD[18O]H- + 4OH- -Al(OH)4- + [18O]H- + OD- + OT- + OH- = Al[18O]HODOTOH- + 4OH- -Al(OH)4- + [18O]H- + OD- + OT- + OD- = Al[18O]HODOTOD- + 4OH- -Al(OH)4- + [18O]H- + OD- + OT- + [18O]H- = Al[18O]HODOT[18O]H- + 4OH- -Al(OH)4- + [18O]H- + OD- + [18O]H- + OH- = Al[18O]HOD[18O]HOH- + 4OH- -Al(OH)4- + [18O]H- + OD- + [18O]H- + OD- = Al[18O]HOD[18O]HOD- + 4OH- -Al(OH)4- + [18O]H- + OD- + [18O]H- + OT- = Al[18O]HOD[18O]HOT- + 4OH- -Al(OH)4- + [18O]H- + OD- + [18O]D- + OH- = Al[18O]HOD[18O]DOH- + 4OH- -Al(OH)4- + [18O]H- + OD- + [18O]T- + OH- = Al[18O]HOD[18O]TOH- + 4OH- -Al(OH)4- + [18O]H- + OT- + OH- + OH- = Al[18O]HOTOHOH- + 4OH- -Al(OH)4- + [18O]H- + OT- + OH- + OD- = Al[18O]HOTOHOD- + 4OH- -Al(OH)4- + [18O]H- + OT- + OH- + [18O]H- = Al[18O]HOTOH[18O]H- + 4OH- -Al(OH)4- + [18O]H- + OT- + OH- + [18O]D- = Al[18O]HOTOH[18O]D- + 4OH- -Al(OH)4- + [18O]H- + OT- + OD- + OH- = Al[18O]HOTODOH- + 4OH- -Al(OH)4- + [18O]H- + OT- + OD- + OD- = Al[18O]HOTODOD- + 4OH- -Al(OH)4- + [18O]H- + OT- + OD- + [18O]H- = Al[18O]HOTOD[18O]H- + 4OH- -Al(OH)4- + [18O]H- + OT- + [18O]H- + OH- = Al[18O]HOT[18O]HOH- + 4OH- -Al(OH)4- + [18O]H- + OT- + [18O]H- + OD- = Al[18O]HOT[18O]HOD- + 4OH- -Al(OH)4- + [18O]H- + OT- + [18O]D- + OH- = Al[18O]HOT[18O]DOH- + 4OH- -Al(OH)4- + [18O]H- + [18O]H- + OH- + OH- = Al[18O]H[18O]HOHOH- + 4OH- -Al(OH)4- + [18O]H- + [18O]H- + OH- + OD- = Al[18O]H[18O]HOHOD- + 4OH- -Al(OH)4- + [18O]H- + [18O]H- + OH- + OT- = Al[18O]H[18O]HOHOT- + 4OH- -Al(OH)4- + [18O]H- + [18O]H- + OD- + OH- = Al[18O]H[18O]HODOH- + 4OH- -Al(OH)4- + [18O]H- + [18O]H- + OD- + OD- = Al[18O]H[18O]HODOD- + 4OH- -Al(OH)4- + [18O]H- + [18O]H- + OD- + OT- = Al[18O]H[18O]HODOT- + 4OH- -Al(OH)4- + [18O]H- + [18O]H- + OT- + OH- = Al[18O]H[18O]HOTOH- + 4OH- -Al(OH)4- + [18O]H- + [18O]H- + OT- + OD- = Al[18O]H[18O]HOTOD- + 4OH- -Al(OH)4- + [18O]H- + [18O]D- + OH- + OH- = Al[18O]H[18O]DOHOH- + 4OH- -Al(OH)4- + [18O]H- + [18O]D- + OH- + OD- = Al[18O]H[18O]DOHOD- + 4OH- -Al(OH)4- + [18O]H- + [18O]D- + OH- + OT- = Al[18O]H[18O]DOHOT- + 4OH- -Al(OH)4- + [18O]H- + [18O]D- + OD- + OH- = Al[18O]H[18O]DODOH- + 4OH- -Al(OH)4- + [18O]H- + [18O]D- + OT- + OH- = Al[18O]H[18O]DOTOH- + 4OH- -Al(OH)4- + [18O]H- + [18O]T- + OH- + OH- = Al[18O]H[18O]TOHOH- + 4OH- -Al(OH)4- + [18O]H- + [18O]T- + OH- + OD- = Al[18O]H[18O]TOHOD- + 4OH- -Al(OH)4- + [18O]H- + [18O]T- + OD- + OH- = Al[18O]H[18O]TODOH- + 4OH- -Al(OH)4- + [18O]D- + OH- + OH- + OH- = Al[18O]DOHOHOH- + 4OH- -Al(OH)4- + [18O]D- + OH- + OH- + OD- = Al[18O]DOHOHOD- + 4OH- -Al(OH)4- + [18O]D- + OH- + OH- + OT- = Al[18O]DOHOHOT- + 4OH- -Al(OH)4- + [18O]D- + OH- + OH- + [18O]H- = Al[18O]DOHOH[18O]H- + 4OH- -Al(OH)4- + [18O]D- + OH- + OH- + [18O]D- = Al[18O]DOHOH[18O]D- + 4OH- -Al(OH)4- + [18O]D- + OH- + OH- + [18O]T- = Al[18O]DOHOH[18O]T- + 4OH- -Al(OH)4- + [18O]D- + OH- + OD- + OH- = Al[18O]DOHODOH- + 4OH- -Al(OH)4- + [18O]D- + OH- + OD- + OT- = Al[18O]DOHODOT- + 4OH- -Al(OH)4- + [18O]D- + OH- + OD- + [18O]H- = Al[18O]DOHOD[18O]H- + 4OH- -Al(OH)4- + [18O]D- + OH- + OT- + OH- = Al[18O]DOHOTOH- + 4OH- -Al(OH)4- + [18O]D- + OH- + OT- + OD- = Al[18O]DOHOTOD- + 4OH- -Al(OH)4- + [18O]D- + OH- + OT- + [18O]H- = Al[18O]DOHOT[18O]H- + 4OH- -Al(OH)4- + [18O]D- + OH- + [18O]H- + OH- = Al[18O]DOH[18O]HOH- + 4OH- -Al(OH)4- + [18O]D- + OH- + [18O]H- + OD- = Al[18O]DOH[18O]HOD- + 4OH- -Al(OH)4- + [18O]D- + OH- + [18O]H- + OT- = Al[18O]DOH[18O]HOT- + 4OH- -Al(OH)4- + [18O]D- + OH- + [18O]D- + OH- = Al[18O]DOH[18O]DOH- + 4OH- -Al(OH)4- + [18O]D- + OH- + [18O]T- + OH- = Al[18O]DOH[18O]TOH- + 4OH- -Al(OH)4- + [18O]D- + OD- + OH- + OH- = Al[18O]DODOHOH- + 4OH- -Al(OH)4- + [18O]D- + OD- + OH- + OT- = Al[18O]DODOHOT- + 4OH- -Al(OH)4- + [18O]D- + OD- + OH- + [18O]H- = Al[18O]DODOH[18O]H- + 4OH- -Al(OH)4- + [18O]D- + OD- + OT- + OH- = Al[18O]DODOTOH- + 4OH- -Al(OH)4- + [18O]D- + OD- + [18O]H- + OH- = Al[18O]DOD[18O]HOH- + 4OH- -Al(OH)4- + [18O]D- + OT- + OH- + OH- = Al[18O]DOTOHOH- + 4OH- -Al(OH)4- + [18O]D- + OT- + OH- + OD- = Al[18O]DOTOHOD- + 4OH- -Al(OH)4- + [18O]D- + OT- + OH- + [18O]H- = Al[18O]DOTOH[18O]H- + 4OH- -Al(OH)4- + [18O]D- + OT- + OD- + OH- = Al[18O]DOTODOH- + 4OH- -Al(OH)4- + [18O]D- + OT- + [18O]H- + OH- = Al[18O]DOT[18O]HOH- + 4OH- -Al(OH)4- + [18O]D- + [18O]H- + OH- + OH- = Al[18O]D[18O]HOHOH- + 4OH- -Al(OH)4- + [18O]D- + [18O]H- + OH- + OD- = Al[18O]D[18O]HOHOD- + 4OH- -Al(OH)4- + [18O]D- + [18O]H- + OH- + OT- = Al[18O]D[18O]HOHOT- + 4OH- -Al(OH)4- + [18O]D- + [18O]H- + OD- + OH- = Al[18O]D[18O]HODOH- + 4OH- -Al(OH)4- + [18O]D- + [18O]H- + OT- + OH- = Al[18O]D[18O]HOTOH- + 4OH- -Al(OH)4- + [18O]D- + [18O]D- + OH- + OH- = Al[18O]D[18O]DOHOH- + 4OH- -Al(OH)4- + [18O]D- + [18O]T- + OH- + OH- = Al[18O]D[18O]TOHOH- + 4OH- -Al(OH)4- + [18O]T- + OH- + OH- + OH- = Al[18O]TOHOHOH- + 4OH- -Al(OH)4- + [18O]T- + OH- + OH- + OD- = Al[18O]TOHOHOD- + 4OH- -Al(OH)4- + [18O]T- + OH- + OH- + [18O]H- = Al[18O]TOHOH[18O]H- + 4OH- -Al(OH)4- + [18O]T- + OH- + OH- + [18O]D- = Al[18O]TOHOH[18O]D- + 4OH- -Al(OH)4- + [18O]T- + OH- + OD- + OH- = Al[18O]TOHODOH- + 4OH- -Al(OH)4- + [18O]T- + OH- + OD- + OD- = Al[18O]TOHODOD- + 4OH- -Al(OH)4- + [18O]T- + OH- + OD- + [18O]H- = Al[18O]TOHOD[18O]H- + 4OH- -Al(OH)4- + [18O]T- + OH- + [18O]H- + OH- = Al[18O]TOH[18O]HOH- + 4OH- -Al(OH)4- + [18O]T- + OH- + [18O]H- + OD- = Al[18O]TOH[18O]HOD- + 4OH- -Al(OH)4- + [18O]T- + OH- + [18O]D- + OH- = Al[18O]TOH[18O]DOH- + 4OH- -Al(OH)4- + [18O]T- + OD- + OH- + OH- = Al[18O]TODOHOH- + 4OH- -Al(OH)4- + [18O]T- + OD- + OH- + OD- = Al[18O]TODOHOD- + 4OH- -Al(OH)4- + [18O]T- + OD- + OH- + [18O]H- = Al[18O]TODOH[18O]H- + 4OH- -Al(OH)4- + [18O]T- + OD- + OD- + OH- = Al[18O]TODODOH- + 4OH- -Al(OH)4- + [18O]T- + OD- + [18O]H- + OH- = Al[18O]TOD[18O]HOH- + 4OH- -Al(OH)4- + [18O]T- + [18O]H- + OH- + OH- = Al[18O]T[18O]HOHOH- + 4OH- -Al(OH)4- + [18O]T- + [18O]H- + OH- + OD- = Al[18O]T[18O]HOHOD- + 4OH- -Al(OH)4- + [18O]T- + [18O]H- + OD- + OH- = Al[18O]T[18O]HODOH- + 4OH- -Al(OH)4- + [18O]T- + [18O]D- + OH- + OH- = Al[18O]T[18O]DOHOH- + 4OH- +Al(OH)4- + OH- + OH- + OH- + OD- = AlOHOHOHOD- + 4 OH- +Al(OH)4- + OH- + OH- + OH- + OT- = AlOHOHOHOT- + 4 OH- +Al(OH)4- + OH- + OH- + OH- + [18O]H- = AlOHOHOH[18O]H- + 4 OH- +Al(OH)4- + OH- + OH- + OH- + [18O]D- = AlOHOHOH[18O]D- + 4 OH- +Al(OH)4- + OH- + OH- + OH- + [18O]T- = AlOHOHOH[18O]T- + 4 OH- +Al(OH)4- + OH- + OH- + OD- + OH- = AlOHOHODOH- + 4 OH- +Al(OH)4- + OH- + OH- + OD- + OD- = AlOHOHODOD- + 4 OH- +Al(OH)4- + OH- + OH- + OD- + OT- = AlOHOHODOT- + 4 OH- +Al(OH)4- + OH- + OH- + OD- + [18O]H- = AlOHOHOD[18O]H- + 4 OH- +Al(OH)4- + OH- + OH- + OD- + [18O]D- = AlOHOHOD[18O]D- + 4 OH- +Al(OH)4- + OH- + OH- + OD- + [18O]T- = AlOHOHOD[18O]T- + 4 OH- +Al(OH)4- + OH- + OH- + OT- + OH- = AlOHOHOTOH- + 4 OH- +Al(OH)4- + OH- + OH- + OT- + OD- = AlOHOHOTOD- + 4 OH- +Al(OH)4- + OH- + OH- + OT- + [18O]H- = AlOHOHOT[18O]H- + 4 OH- +Al(OH)4- + OH- + OH- + OT- + [18O]D- = AlOHOHOT[18O]D- + 4 OH- +Al(OH)4- + OH- + OH- + [18O]H- + OH- = AlOHOH[18O]HOH- + 4 OH- +Al(OH)4- + OH- + OH- + [18O]H- + OD- = AlOHOH[18O]HOD- + 4 OH- +Al(OH)4- + OH- + OH- + [18O]H- + OT- = AlOHOH[18O]HOT- + 4 OH- +Al(OH)4- + OH- + OH- + [18O]H- + [18O]H- = AlOHOH[18O]H[18O]H- + 4 OH- +Al(OH)4- + OH- + OH- + [18O]H- + [18O]D- = AlOHOH[18O]H[18O]D- + 4 OH- +Al(OH)4- + OH- + OH- + [18O]H- + [18O]T- = AlOHOH[18O]H[18O]T- + 4 OH- +Al(OH)4- + OH- + OH- + [18O]D- + OH- = AlOHOH[18O]DOH- + 4 OH- +Al(OH)4- + OH- + OH- + [18O]D- + OD- = AlOHOH[18O]DOD- + 4 OH- +Al(OH)4- + OH- + OH- + [18O]D- + OT- = AlOHOH[18O]DOT- + 4 OH- +Al(OH)4- + OH- + OH- + [18O]D- + [18O]H- = AlOHOH[18O]D[18O]H- + 4 OH- +Al(OH)4- + OH- + OH- + [18O]D- + [18O]D- = AlOHOH[18O]D[18O]D- + 4 OH- +Al(OH)4- + OH- + OH- + [18O]D- + [18O]T- = AlOHOH[18O]D[18O]T- + 4 OH- +Al(OH)4- + OH- + OH- + [18O]T- + OH- = AlOHOH[18O]TOH- + 4 OH- +Al(OH)4- + OH- + OH- + [18O]T- + OD- = AlOHOH[18O]TOD- + 4 OH- +Al(OH)4- + OH- + OH- + [18O]T- + [18O]H- = AlOHOH[18O]T[18O]H- + 4 OH- +Al(OH)4- + OH- + OH- + [18O]T- + [18O]D- = AlOHOH[18O]T[18O]D- + 4 OH- +Al(OH)4- + OH- + OD- + OH- + OH- = AlOHODOHOH- + 4 OH- +Al(OH)4- + OH- + OD- + OH- + OD- = AlOHODOHOD- + 4 OH- +Al(OH)4- + OH- + OD- + OH- + OT- = AlOHODOHOT- + 4 OH- +Al(OH)4- + OH- + OD- + OH- + [18O]H- = AlOHODOH[18O]H- + 4 OH- +Al(OH)4- + OH- + OD- + OH- + [18O]D- = AlOHODOH[18O]D- + 4 OH- +Al(OH)4- + OH- + OD- + OH- + [18O]T- = AlOHODOH[18O]T- + 4 OH- +Al(OH)4- + OH- + OD- + OD- + OH- = AlOHODODOH- + 4 OH- +Al(OH)4- + OH- + OD- + OD- + OT- = AlOHODODOT- + 4 OH- +Al(OH)4- + OH- + OD- + OD- + [18O]H- = AlOHODOD[18O]H- + 4 OH- +Al(OH)4- + OH- + OD- + OD- + [18O]T- = AlOHODOD[18O]T- + 4 OH- +Al(OH)4- + OH- + OD- + OT- + OH- = AlOHODOTOH- + 4 OH- +Al(OH)4- + OH- + OD- + OT- + OD- = AlOHODOTOD- + 4 OH- +Al(OH)4- + OH- + OD- + OT- + [18O]H- = AlOHODOT[18O]H- + 4 OH- +Al(OH)4- + OH- + OD- + OT- + [18O]D- = AlOHODOT[18O]D- + 4 OH- +Al(OH)4- + OH- + OD- + [18O]H- + OH- = AlOHOD[18O]HOH- + 4 OH- +Al(OH)4- + OH- + OD- + [18O]H- + OD- = AlOHOD[18O]HOD- + 4 OH- +Al(OH)4- + OH- + OD- + [18O]H- + OT- = AlOHOD[18O]HOT- + 4 OH- +Al(OH)4- + OH- + OD- + [18O]H- + [18O]H- = AlOHOD[18O]H[18O]H- + 4 OH- +Al(OH)4- + OH- + OD- + [18O]H- + [18O]D- = AlOHOD[18O]H[18O]D- + 4 OH- +Al(OH)4- + OH- + OD- + [18O]H- + [18O]T- = AlOHOD[18O]H[18O]T- + 4 OH- +Al(OH)4- + OH- + OD- + [18O]D- + OH- = AlOHOD[18O]DOH- + 4 OH- +Al(OH)4- + OH- + OD- + [18O]D- + OT- = AlOHOD[18O]DOT- + 4 OH- +Al(OH)4- + OH- + OD- + [18O]D- + [18O]H- = AlOHOD[18O]D[18O]H- + 4 OH- +Al(OH)4- + OH- + OD- + [18O]T- + OH- = AlOHOD[18O]TOH- + 4 OH- +Al(OH)4- + OH- + OD- + [18O]T- + OD- = AlOHOD[18O]TOD- + 4 OH- +Al(OH)4- + OH- + OD- + [18O]T- + [18O]H- = AlOHOD[18O]T[18O]H- + 4 OH- +Al(OH)4- + OH- + OT- + OH- + OH- = AlOHOTOHOH- + 4 OH- +Al(OH)4- + OH- + OT- + OH- + OD- = AlOHOTOHOD- + 4 OH- +Al(OH)4- + OH- + OT- + OH- + [18O]H- = AlOHOTOH[18O]H- + 4 OH- +Al(OH)4- + OH- + OT- + OH- + [18O]D- = AlOHOTOH[18O]D- + 4 OH- +Al(OH)4- + OH- + OT- + OD- + OH- = AlOHOTODOH- + 4 OH- +Al(OH)4- + OH- + OT- + OD- + OD- = AlOHOTODOD- + 4 OH- +Al(OH)4- + OH- + OT- + OD- + [18O]H- = AlOHOTOD[18O]H- + 4 OH- +Al(OH)4- + OH- + OT- + OD- + [18O]D- = AlOHOTOD[18O]D- + 4 OH- +Al(OH)4- + OH- + OT- + [18O]H- + OH- = AlOHOT[18O]HOH- + 4 OH- +Al(OH)4- + OH- + OT- + [18O]H- + OD- = AlOHOT[18O]HOD- + 4 OH- +Al(OH)4- + OH- + OT- + [18O]H- + [18O]H- = AlOHOT[18O]H[18O]H- + 4 OH- +Al(OH)4- + OH- + OT- + [18O]H- + [18O]D- = AlOHOT[18O]H[18O]D- + 4 OH- +Al(OH)4- + OH- + OT- + [18O]D- + OH- = AlOHOT[18O]DOH- + 4 OH- +Al(OH)4- + OH- + OT- + [18O]D- + OD- = AlOHOT[18O]DOD- + 4 OH- +Al(OH)4- + OH- + OT- + [18O]D- + [18O]H- = AlOHOT[18O]D[18O]H- + 4 OH- +Al(OH)4- + OH- + [18O]H- + OH- + OH- = AlOH[18O]HOHOH- + 4 OH- +Al(OH)4- + OH- + [18O]H- + OH- + OD- = AlOH[18O]HOHOD- + 4 OH- +Al(OH)4- + OH- + [18O]H- + OH- + OT- = AlOH[18O]HOHOT- + 4 OH- +Al(OH)4- + OH- + [18O]H- + OH- + [18O]H- = AlOH[18O]HOH[18O]H- + 4 OH- +Al(OH)4- + OH- + [18O]H- + OH- + [18O]D- = AlOH[18O]HOH[18O]D- + 4 OH- +Al(OH)4- + OH- + [18O]H- + OH- + [18O]T- = AlOH[18O]HOH[18O]T- + 4 OH- +Al(OH)4- + OH- + [18O]H- + OD- + OH- = AlOH[18O]HODOH- + 4 OH- +Al(OH)4- + OH- + [18O]H- + OD- + OD- = AlOH[18O]HODOD- + 4 OH- +Al(OH)4- + OH- + [18O]H- + OD- + OT- = AlOH[18O]HODOT- + 4 OH- +Al(OH)4- + OH- + [18O]H- + OD- + [18O]H- = AlOH[18O]HOD[18O]H- + 4 OH- +Al(OH)4- + OH- + [18O]H- + OD- + [18O]D- = AlOH[18O]HOD[18O]D- + 4 OH- +Al(OH)4- + OH- + [18O]H- + OD- + [18O]T- = AlOH[18O]HOD[18O]T- + 4 OH- +Al(OH)4- + OH- + [18O]H- + OT- + OH- = AlOH[18O]HOTOH- + 4 OH- +Al(OH)4- + OH- + [18O]H- + OT- + OD- = AlOH[18O]HOTOD- + 4 OH- +Al(OH)4- + OH- + [18O]H- + OT- + [18O]H- = AlOH[18O]HOT[18O]H- + 4 OH- +Al(OH)4- + OH- + [18O]H- + OT- + [18O]D- = AlOH[18O]HOT[18O]D- + 4 OH- +Al(OH)4- + OH- + [18O]H- + [18O]H- + OH- = AlOH[18O]H[18O]HOH- + 4 OH- +Al(OH)4- + OH- + [18O]H- + [18O]H- + OD- = AlOH[18O]H[18O]HOD- + 4 OH- +Al(OH)4- + OH- + [18O]H- + [18O]H- + OT- = AlOH[18O]H[18O]HOT- + 4 OH- +Al(OH)4- + OH- + [18O]H- + [18O]D- + OH- = AlOH[18O]H[18O]DOH- + 4 OH- +Al(OH)4- + OH- + [18O]H- + [18O]D- + OD- = AlOH[18O]H[18O]DOD- + 4 OH- +Al(OH)4- + OH- + [18O]H- + [18O]D- + OT- = AlOH[18O]H[18O]DOT- + 4 OH- +Al(OH)4- + OH- + [18O]H- + [18O]T- + OH- = AlOH[18O]H[18O]TOH- + 4 OH- +Al(OH)4- + OH- + [18O]H- + [18O]T- + OD- = AlOH[18O]H[18O]TOD- + 4 OH- +Al(OH)4- + OH- + [18O]D- + OH- + OH- = AlOH[18O]DOHOH- + 4 OH- +Al(OH)4- + OH- + [18O]D- + OH- + OD- = AlOH[18O]DOHOD- + 4 OH- +Al(OH)4- + OH- + [18O]D- + OH- + OT- = AlOH[18O]DOHOT- + 4 OH- +Al(OH)4- + OH- + [18O]D- + OH- + [18O]H- = AlOH[18O]DOH[18O]H- + 4 OH- +Al(OH)4- + OH- + [18O]D- + OH- + [18O]D- = AlOH[18O]DOH[18O]D- + 4 OH- +Al(OH)4- + OH- + [18O]D- + OH- + [18O]T- = AlOH[18O]DOH[18O]T- + 4 OH- +Al(OH)4- + OH- + [18O]D- + OD- + OH- = AlOH[18O]DODOH- + 4 OH- +Al(OH)4- + OH- + [18O]D- + OD- + OT- = AlOH[18O]DODOT- + 4 OH- +Al(OH)4- + OH- + [18O]D- + OD- + [18O]H- = AlOH[18O]DOD[18O]H- + 4 OH- +Al(OH)4- + OH- + [18O]D- + OT- + OH- = AlOH[18O]DOTOH- + 4 OH- +Al(OH)4- + OH- + [18O]D- + OT- + OD- = AlOH[18O]DOTOD- + 4 OH- +Al(OH)4- + OH- + [18O]D- + OT- + [18O]H- = AlOH[18O]DOT[18O]H- + 4 OH- +Al(OH)4- + OH- + [18O]D- + [18O]H- + OH- = AlOH[18O]D[18O]HOH- + 4 OH- +Al(OH)4- + OH- + [18O]D- + [18O]H- + OD- = AlOH[18O]D[18O]HOD- + 4 OH- +Al(OH)4- + OH- + [18O]D- + [18O]H- + OT- = AlOH[18O]D[18O]HOT- + 4 OH- +Al(OH)4- + OH- + [18O]D- + [18O]D- + OH- = AlOH[18O]D[18O]DOH- + 4 OH- +Al(OH)4- + OH- + [18O]D- + [18O]T- + OH- = AlOH[18O]D[18O]TOH- + 4 OH- +Al(OH)4- + OH- + [18O]T- + OH- + OH- = AlOH[18O]TOHOH- + 4 OH- +Al(OH)4- + OH- + [18O]T- + OH- + OD- = AlOH[18O]TOHOD- + 4 OH- +Al(OH)4- + OH- + [18O]T- + OH- + [18O]H- = AlOH[18O]TOH[18O]H- + 4 OH- +Al(OH)4- + OH- + [18O]T- + OH- + [18O]D- = AlOH[18O]TOH[18O]D- + 4 OH- +Al(OH)4- + OH- + [18O]T- + OD- + OH- = AlOH[18O]TODOH- + 4 OH- +Al(OH)4- + OH- + [18O]T- + OD- + OD- = AlOH[18O]TODOD- + 4 OH- +Al(OH)4- + OH- + [18O]T- + OD- + [18O]H- = AlOH[18O]TOD[18O]H- + 4 OH- +Al(OH)4- + OH- + [18O]T- + [18O]H- + OH- = AlOH[18O]T[18O]HOH- + 4 OH- +Al(OH)4- + OH- + [18O]T- + [18O]H- + OD- = AlOH[18O]T[18O]HOD- + 4 OH- +Al(OH)4- + OH- + [18O]T- + [18O]D- + OH- = AlOH[18O]T[18O]DOH- + 4 OH- +Al(OH)4- + OD- + OH- + OH- + OH- = AlODOHOHOH- + 4 OH- +Al(OH)4- + OD- + OH- + OH- + OD- = AlODOHOHOD- + 4 OH- +Al(OH)4- + OD- + OH- + OH- + OT- = AlODOHOHOT- + 4 OH- +Al(OH)4- + OD- + OH- + OH- + [18O]H- = AlODOHOH[18O]H- + 4 OH- +Al(OH)4- + OD- + OH- + OH- + [18O]D- = AlODOHOH[18O]D- + 4 OH- +Al(OH)4- + OD- + OH- + OH- + [18O]T- = AlODOHOH[18O]T- + 4 OH- +Al(OH)4- + OD- + OH- + OD- + OH- = AlODOHODOH- + 4 OH- +Al(OH)4- + OD- + OH- + OD- + OT- = AlODOHODOT- + 4 OH- +Al(OH)4- + OD- + OH- + OD- + [18O]H- = AlODOHOD[18O]H- + 4 OH- +Al(OH)4- + OD- + OH- + OD- + [18O]T- = AlODOHOD[18O]T- + 4 OH- +Al(OH)4- + OD- + OH- + OT- + OH- = AlODOHOTOH- + 4 OH- +Al(OH)4- + OD- + OH- + OT- + OD- = AlODOHOTOD- + 4 OH- +Al(OH)4- + OD- + OH- + OT- + [18O]H- = AlODOHOT[18O]H- + 4 OH- +Al(OH)4- + OD- + OH- + OT- + [18O]D- = AlODOHOT[18O]D- + 4 OH- +Al(OH)4- + OD- + OH- + [18O]H- + OH- = AlODOH[18O]HOH- + 4 OH- +Al(OH)4- + OD- + OH- + [18O]H- + OD- = AlODOH[18O]HOD- + 4 OH- +Al(OH)4- + OD- + OH- + [18O]H- + OT- = AlODOH[18O]HOT- + 4 OH- +Al(OH)4- + OD- + OH- + [18O]H- + [18O]H- = AlODOH[18O]H[18O]H- + 4 OH- +Al(OH)4- + OD- + OH- + [18O]H- + [18O]D- = AlODOH[18O]H[18O]D- + 4 OH- +Al(OH)4- + OD- + OH- + [18O]H- + [18O]T- = AlODOH[18O]H[18O]T- + 4 OH- +Al(OH)4- + OD- + OH- + [18O]D- + OH- = AlODOH[18O]DOH- + 4 OH- +Al(OH)4- + OD- + OH- + [18O]D- + OT- = AlODOH[18O]DOT- + 4 OH- +Al(OH)4- + OD- + OH- + [18O]D- + [18O]H- = AlODOH[18O]D[18O]H- + 4 OH- +Al(OH)4- + OD- + OH- + [18O]T- + OH- = AlODOH[18O]TOH- + 4 OH- +Al(OH)4- + OD- + OH- + [18O]T- + OD- = AlODOH[18O]TOD- + 4 OH- +Al(OH)4- + OD- + OH- + [18O]T- + [18O]H- = AlODOH[18O]T[18O]H- + 4 OH- +Al(OH)4- + OD- + OD- + OH- + OH- = AlODODOHOH- + 4 OH- +Al(OH)4- + OD- + OD- + OH- + OT- = AlODODOHOT- + 4 OH- +Al(OH)4- + OD- + OD- + OH- + [18O]H- = AlODODOH[18O]H- + 4 OH- +Al(OH)4- + OD- + OD- + OH- + [18O]T- = AlODODOH[18O]T- + 4 OH- +Al(OH)4- + OD- + OD- + OT- + OH- = AlODODOTOH- + 4 OH- +Al(OH)4- + OD- + OD- + OT- + [18O]H- = AlODODOT[18O]H- + 4 OH- +Al(OH)4- + OD- + OD- + [18O]H- + OH- = AlODOD[18O]HOH- + 4 OH- +Al(OH)4- + OD- + OD- + [18O]H- + OT- = AlODOD[18O]HOT- + 4 OH- +Al(OH)4- + OD- + OD- + [18O]H- + [18O]H- = AlODOD[18O]H[18O]H- + 4 OH- +Al(OH)4- + OD- + OD- + [18O]T- + OH- = AlODOD[18O]TOH- + 4 OH- +Al(OH)4- + OD- + OT- + OH- + OH- = AlODOTOHOH- + 4 OH- +Al(OH)4- + OD- + OT- + OH- + OD- = AlODOTOHOD- + 4 OH- +Al(OH)4- + OD- + OT- + OH- + [18O]H- = AlODOTOH[18O]H- + 4 OH- +Al(OH)4- + OD- + OT- + OH- + [18O]D- = AlODOTOH[18O]D- + 4 OH- +Al(OH)4- + OD- + OT- + OD- + OH- = AlODOTODOH- + 4 OH- +Al(OH)4- + OD- + OT- + OD- + [18O]H- = AlODOTOD[18O]H- + 4 OH- +Al(OH)4- + OD- + OT- + [18O]H- + OH- = AlODOT[18O]HOH- + 4 OH- +Al(OH)4- + OD- + OT- + [18O]H- + OD- = AlODOT[18O]HOD- + 4 OH- +Al(OH)4- + OD- + OT- + [18O]H- + [18O]H- = AlODOT[18O]H[18O]H- + 4 OH- +Al(OH)4- + OD- + OT- + [18O]D- + OH- = AlODOT[18O]DOH- + 4 OH- +Al(OH)4- + OD- + [18O]H- + OH- + OH- = AlOD[18O]HOHOH- + 4 OH- +Al(OH)4- + OD- + [18O]H- + OH- + OD- = AlOD[18O]HOHOD- + 4 OH- +Al(OH)4- + OD- + [18O]H- + OH- + OT- = AlOD[18O]HOHOT- + 4 OH- +Al(OH)4- + OD- + [18O]H- + OH- + [18O]H- = AlOD[18O]HOH[18O]H- + 4 OH- +Al(OH)4- + OD- + [18O]H- + OH- + [18O]D- = AlOD[18O]HOH[18O]D- + 4 OH- +Al(OH)4- + OD- + [18O]H- + OH- + [18O]T- = AlOD[18O]HOH[18O]T- + 4 OH- +Al(OH)4- + OD- + [18O]H- + OD- + OH- = AlOD[18O]HODOH- + 4 OH- +Al(OH)4- + OD- + [18O]H- + OD- + OT- = AlOD[18O]HODOT- + 4 OH- +Al(OH)4- + OD- + [18O]H- + OD- + [18O]H- = AlOD[18O]HOD[18O]H- + 4 OH- +Al(OH)4- + OD- + [18O]H- + OT- + OH- = AlOD[18O]HOTOH- + 4 OH- +Al(OH)4- + OD- + [18O]H- + OT- + OD- = AlOD[18O]HOTOD- + 4 OH- +Al(OH)4- + OD- + [18O]H- + OT- + [18O]H- = AlOD[18O]HOT[18O]H- + 4 OH- +Al(OH)4- + OD- + [18O]H- + [18O]H- + OH- = AlOD[18O]H[18O]HOH- + 4 OH- +Al(OH)4- + OD- + [18O]H- + [18O]H- + OD- = AlOD[18O]H[18O]HOD- + 4 OH- +Al(OH)4- + OD- + [18O]H- + [18O]H- + OT- = AlOD[18O]H[18O]HOT- + 4 OH- +Al(OH)4- + OD- + [18O]H- + [18O]D- + OH- = AlOD[18O]H[18O]DOH- + 4 OH- +Al(OH)4- + OD- + [18O]H- + [18O]T- + OH- = AlOD[18O]H[18O]TOH- + 4 OH- +Al(OH)4- + OD- + [18O]D- + OH- + OH- = AlOD[18O]DOHOH- + 4 OH- +Al(OH)4- + OD- + [18O]D- + OH- + OT- = AlOD[18O]DOHOT- + 4 OH- +Al(OH)4- + OD- + [18O]D- + OH- + [18O]H- = AlOD[18O]DOH[18O]H- + 4 OH- +Al(OH)4- + OD- + [18O]D- + OT- + OH- = AlOD[18O]DOTOH- + 4 OH- +Al(OH)4- + OD- + [18O]D- + [18O]H- + OH- = AlOD[18O]D[18O]HOH- + 4 OH- +Al(OH)4- + OD- + [18O]T- + OH- + OH- = AlOD[18O]TOHOH- + 4 OH- +Al(OH)4- + OD- + [18O]T- + OH- + OD- = AlOD[18O]TOHOD- + 4 OH- +Al(OH)4- + OD- + [18O]T- + OH- + [18O]H- = AlOD[18O]TOH[18O]H- + 4 OH- +Al(OH)4- + OD- + [18O]T- + OD- + OH- = AlOD[18O]TODOH- + 4 OH- +Al(OH)4- + OD- + [18O]T- + [18O]H- + OH- = AlOD[18O]T[18O]HOH- + 4 OH- +Al(OH)4- + OT- + OH- + OH- + OH- = AlOTOHOHOH- + 4 OH- +Al(OH)4- + OT- + OH- + OH- + OD- = AlOTOHOHOD- + 4 OH- +Al(OH)4- + OT- + OH- + OH- + [18O]H- = AlOTOHOH[18O]H- + 4 OH- +Al(OH)4- + OT- + OH- + OH- + [18O]D- = AlOTOHOH[18O]D- + 4 OH- +Al(OH)4- + OT- + OH- + OD- + OH- = AlOTOHODOH- + 4 OH- +Al(OH)4- + OT- + OH- + OD- + OD- = AlOTOHODOD- + 4 OH- +Al(OH)4- + OT- + OH- + OD- + [18O]H- = AlOTOHOD[18O]H- + 4 OH- +Al(OH)4- + OT- + OH- + OD- + [18O]D- = AlOTOHOD[18O]D- + 4 OH- +Al(OH)4- + OT- + OH- + [18O]H- + OH- = AlOTOH[18O]HOH- + 4 OH- +Al(OH)4- + OT- + OH- + [18O]H- + OD- = AlOTOH[18O]HOD- + 4 OH- +Al(OH)4- + OT- + OH- + [18O]H- + [18O]H- = AlOTOH[18O]H[18O]H- + 4 OH- +Al(OH)4- + OT- + OH- + [18O]H- + [18O]D- = AlOTOH[18O]H[18O]D- + 4 OH- +Al(OH)4- + OT- + OH- + [18O]D- + OH- = AlOTOH[18O]DOH- + 4 OH- +Al(OH)4- + OT- + OH- + [18O]D- + OD- = AlOTOH[18O]DOD- + 4 OH- +Al(OH)4- + OT- + OH- + [18O]D- + [18O]H- = AlOTOH[18O]D[18O]H- + 4 OH- +Al(OH)4- + OT- + OD- + OH- + OH- = AlOTODOHOH- + 4 OH- +Al(OH)4- + OT- + OD- + OH- + OD- = AlOTODOHOD- + 4 OH- +Al(OH)4- + OT- + OD- + OH- + [18O]H- = AlOTODOH[18O]H- + 4 OH- +Al(OH)4- + OT- + OD- + OH- + [18O]D- = AlOTODOH[18O]D- + 4 OH- +Al(OH)4- + OT- + OD- + OD- + OH- = AlOTODODOH- + 4 OH- +Al(OH)4- + OT- + OD- + OD- + [18O]H- = AlOTODOD[18O]H- + 4 OH- +Al(OH)4- + OT- + OD- + [18O]H- + OH- = AlOTOD[18O]HOH- + 4 OH- +Al(OH)4- + OT- + OD- + [18O]H- + OD- = AlOTOD[18O]HOD- + 4 OH- +Al(OH)4- + OT- + OD- + [18O]H- + [18O]H- = AlOTOD[18O]H[18O]H- + 4 OH- +Al(OH)4- + OT- + OD- + [18O]D- + OH- = AlOTOD[18O]DOH- + 4 OH- +Al(OH)4- + OT- + [18O]H- + OH- + OH- = AlOT[18O]HOHOH- + 4 OH- +Al(OH)4- + OT- + [18O]H- + OH- + OD- = AlOT[18O]HOHOD- + 4 OH- +Al(OH)4- + OT- + [18O]H- + OH- + [18O]H- = AlOT[18O]HOH[18O]H- + 4 OH- +Al(OH)4- + OT- + [18O]H- + OH- + [18O]D- = AlOT[18O]HOH[18O]D- + 4 OH- +Al(OH)4- + OT- + [18O]H- + OD- + OH- = AlOT[18O]HODOH- + 4 OH- +Al(OH)4- + OT- + [18O]H- + OD- + OD- = AlOT[18O]HODOD- + 4 OH- +Al(OH)4- + OT- + [18O]H- + OD- + [18O]H- = AlOT[18O]HOD[18O]H- + 4 OH- +Al(OH)4- + OT- + [18O]H- + [18O]H- + OH- = AlOT[18O]H[18O]HOH- + 4 OH- +Al(OH)4- + OT- + [18O]H- + [18O]H- + OD- = AlOT[18O]H[18O]HOD- + 4 OH- +Al(OH)4- + OT- + [18O]H- + [18O]D- + OH- = AlOT[18O]H[18O]DOH- + 4 OH- +Al(OH)4- + OT- + [18O]D- + OH- + OH- = AlOT[18O]DOHOH- + 4 OH- +Al(OH)4- + OT- + [18O]D- + OH- + OD- = AlOT[18O]DOHOD- + 4 OH- +Al(OH)4- + OT- + [18O]D- + OH- + [18O]H- = AlOT[18O]DOH[18O]H- + 4 OH- +Al(OH)4- + OT- + [18O]D- + OD- + OH- = AlOT[18O]DODOH- + 4 OH- +Al(OH)4- + OT- + [18O]D- + [18O]H- + OH- = AlOT[18O]D[18O]HOH- + 4 OH- +Al(OH)4- + [18O]H- + OH- + OH- + OH- = Al[18O]HOHOHOH- + 4 OH- +Al(OH)4- + [18O]H- + OH- + OH- + OD- = Al[18O]HOHOHOD- + 4 OH- +Al(OH)4- + [18O]H- + OH- + OH- + OT- = Al[18O]HOHOHOT- + 4 OH- +Al(OH)4- + [18O]H- + OH- + OH- + [18O]H- = Al[18O]HOHOH[18O]H- + 4 OH- +Al(OH)4- + [18O]H- + OH- + OH- + [18O]D- = Al[18O]HOHOH[18O]D- + 4 OH- +Al(OH)4- + [18O]H- + OH- + OH- + [18O]T- = Al[18O]HOHOH[18O]T- + 4 OH- +Al(OH)4- + [18O]H- + OH- + OD- + OH- = Al[18O]HOHODOH- + 4 OH- +Al(OH)4- + [18O]H- + OH- + OD- + OD- = Al[18O]HOHODOD- + 4 OH- +Al(OH)4- + [18O]H- + OH- + OD- + OT- = Al[18O]HOHODOT- + 4 OH- +Al(OH)4- + [18O]H- + OH- + OD- + [18O]H- = Al[18O]HOHOD[18O]H- + 4 OH- +Al(OH)4- + [18O]H- + OH- + OD- + [18O]D- = Al[18O]HOHOD[18O]D- + 4 OH- +Al(OH)4- + [18O]H- + OH- + OD- + [18O]T- = Al[18O]HOHOD[18O]T- + 4 OH- +Al(OH)4- + [18O]H- + OH- + OT- + OH- = Al[18O]HOHOTOH- + 4 OH- +Al(OH)4- + [18O]H- + OH- + OT- + OD- = Al[18O]HOHOTOD- + 4 OH- +Al(OH)4- + [18O]H- + OH- + OT- + [18O]H- = Al[18O]HOHOT[18O]H- + 4 OH- +Al(OH)4- + [18O]H- + OH- + OT- + [18O]D- = Al[18O]HOHOT[18O]D- + 4 OH- +Al(OH)4- + [18O]H- + OH- + [18O]H- + OH- = Al[18O]HOH[18O]HOH- + 4 OH- +Al(OH)4- + [18O]H- + OH- + [18O]H- + OD- = Al[18O]HOH[18O]HOD- + 4 OH- +Al(OH)4- + [18O]H- + OH- + [18O]H- + OT- = Al[18O]HOH[18O]HOT- + 4 OH- +Al(OH)4- + [18O]H- + OH- + [18O]D- + OH- = Al[18O]HOH[18O]DOH- + 4 OH- +Al(OH)4- + [18O]H- + OH- + [18O]D- + OD- = Al[18O]HOH[18O]DOD- + 4 OH- +Al(OH)4- + [18O]H- + OH- + [18O]D- + OT- = Al[18O]HOH[18O]DOT- + 4 OH- +Al(OH)4- + [18O]H- + OH- + [18O]T- + OH- = Al[18O]HOH[18O]TOH- + 4 OH- +Al(OH)4- + [18O]H- + OH- + [18O]T- + OD- = Al[18O]HOH[18O]TOD- + 4 OH- +Al(OH)4- + [18O]H- + OD- + OH- + OH- = Al[18O]HODOHOH- + 4 OH- +Al(OH)4- + [18O]H- + OD- + OH- + OD- = Al[18O]HODOHOD- + 4 OH- +Al(OH)4- + [18O]H- + OD- + OH- + OT- = Al[18O]HODOHOT- + 4 OH- +Al(OH)4- + [18O]H- + OD- + OH- + [18O]H- = Al[18O]HODOH[18O]H- + 4 OH- +Al(OH)4- + [18O]H- + OD- + OH- + [18O]D- = Al[18O]HODOH[18O]D- + 4 OH- +Al(OH)4- + [18O]H- + OD- + OH- + [18O]T- = Al[18O]HODOH[18O]T- + 4 OH- +Al(OH)4- + [18O]H- + OD- + OD- + OH- = Al[18O]HODODOH- + 4 OH- +Al(OH)4- + [18O]H- + OD- + OD- + OT- = Al[18O]HODODOT- + 4 OH- +Al(OH)4- + [18O]H- + OD- + OD- + [18O]H- = Al[18O]HODOD[18O]H- + 4 OH- +Al(OH)4- + [18O]H- + OD- + OT- + OH- = Al[18O]HODOTOH- + 4 OH- +Al(OH)4- + [18O]H- + OD- + OT- + OD- = Al[18O]HODOTOD- + 4 OH- +Al(OH)4- + [18O]H- + OD- + OT- + [18O]H- = Al[18O]HODOT[18O]H- + 4 OH- +Al(OH)4- + [18O]H- + OD- + [18O]H- + OH- = Al[18O]HOD[18O]HOH- + 4 OH- +Al(OH)4- + [18O]H- + OD- + [18O]H- + OD- = Al[18O]HOD[18O]HOD- + 4 OH- +Al(OH)4- + [18O]H- + OD- + [18O]H- + OT- = Al[18O]HOD[18O]HOT- + 4 OH- +Al(OH)4- + [18O]H- + OD- + [18O]D- + OH- = Al[18O]HOD[18O]DOH- + 4 OH- +Al(OH)4- + [18O]H- + OD- + [18O]T- + OH- = Al[18O]HOD[18O]TOH- + 4 OH- +Al(OH)4- + [18O]H- + OT- + OH- + OH- = Al[18O]HOTOHOH- + 4 OH- +Al(OH)4- + [18O]H- + OT- + OH- + OD- = Al[18O]HOTOHOD- + 4 OH- +Al(OH)4- + [18O]H- + OT- + OH- + [18O]H- = Al[18O]HOTOH[18O]H- + 4 OH- +Al(OH)4- + [18O]H- + OT- + OH- + [18O]D- = Al[18O]HOTOH[18O]D- + 4 OH- +Al(OH)4- + [18O]H- + OT- + OD- + OH- = Al[18O]HOTODOH- + 4 OH- +Al(OH)4- + [18O]H- + OT- + OD- + OD- = Al[18O]HOTODOD- + 4 OH- +Al(OH)4- + [18O]H- + OT- + OD- + [18O]H- = Al[18O]HOTOD[18O]H- + 4 OH- +Al(OH)4- + [18O]H- + OT- + [18O]H- + OH- = Al[18O]HOT[18O]HOH- + 4 OH- +Al(OH)4- + [18O]H- + OT- + [18O]H- + OD- = Al[18O]HOT[18O]HOD- + 4 OH- +Al(OH)4- + [18O]H- + OT- + [18O]D- + OH- = Al[18O]HOT[18O]DOH- + 4 OH- +Al(OH)4- + [18O]H- + [18O]H- + OH- + OH- = Al[18O]H[18O]HOHOH- + 4 OH- +Al(OH)4- + [18O]H- + [18O]H- + OH- + OD- = Al[18O]H[18O]HOHOD- + 4 OH- +Al(OH)4- + [18O]H- + [18O]H- + OH- + OT- = Al[18O]H[18O]HOHOT- + 4 OH- +Al(OH)4- + [18O]H- + [18O]H- + OD- + OH- = Al[18O]H[18O]HODOH- + 4 OH- +Al(OH)4- + [18O]H- + [18O]H- + OD- + OD- = Al[18O]H[18O]HODOD- + 4 OH- +Al(OH)4- + [18O]H- + [18O]H- + OD- + OT- = Al[18O]H[18O]HODOT- + 4 OH- +Al(OH)4- + [18O]H- + [18O]H- + OT- + OH- = Al[18O]H[18O]HOTOH- + 4 OH- +Al(OH)4- + [18O]H- + [18O]H- + OT- + OD- = Al[18O]H[18O]HOTOD- + 4 OH- +Al(OH)4- + [18O]H- + [18O]D- + OH- + OH- = Al[18O]H[18O]DOHOH- + 4 OH- +Al(OH)4- + [18O]H- + [18O]D- + OH- + OD- = Al[18O]H[18O]DOHOD- + 4 OH- +Al(OH)4- + [18O]H- + [18O]D- + OH- + OT- = Al[18O]H[18O]DOHOT- + 4 OH- +Al(OH)4- + [18O]H- + [18O]D- + OD- + OH- = Al[18O]H[18O]DODOH- + 4 OH- +Al(OH)4- + [18O]H- + [18O]D- + OT- + OH- = Al[18O]H[18O]DOTOH- + 4 OH- +Al(OH)4- + [18O]H- + [18O]T- + OH- + OH- = Al[18O]H[18O]TOHOH- + 4 OH- +Al(OH)4- + [18O]H- + [18O]T- + OH- + OD- = Al[18O]H[18O]TOHOD- + 4 OH- +Al(OH)4- + [18O]H- + [18O]T- + OD- + OH- = Al[18O]H[18O]TODOH- + 4 OH- +Al(OH)4- + [18O]D- + OH- + OH- + OH- = Al[18O]DOHOHOH- + 4 OH- +Al(OH)4- + [18O]D- + OH- + OH- + OD- = Al[18O]DOHOHOD- + 4 OH- +Al(OH)4- + [18O]D- + OH- + OH- + OT- = Al[18O]DOHOHOT- + 4 OH- +Al(OH)4- + [18O]D- + OH- + OH- + [18O]H- = Al[18O]DOHOH[18O]H- + 4 OH- +Al(OH)4- + [18O]D- + OH- + OH- + [18O]D- = Al[18O]DOHOH[18O]D- + 4 OH- +Al(OH)4- + [18O]D- + OH- + OH- + [18O]T- = Al[18O]DOHOH[18O]T- + 4 OH- +Al(OH)4- + [18O]D- + OH- + OD- + OH- = Al[18O]DOHODOH- + 4 OH- +Al(OH)4- + [18O]D- + OH- + OD- + OT- = Al[18O]DOHODOT- + 4 OH- +Al(OH)4- + [18O]D- + OH- + OD- + [18O]H- = Al[18O]DOHOD[18O]H- + 4 OH- +Al(OH)4- + [18O]D- + OH- + OT- + OH- = Al[18O]DOHOTOH- + 4 OH- +Al(OH)4- + [18O]D- + OH- + OT- + OD- = Al[18O]DOHOTOD- + 4 OH- +Al(OH)4- + [18O]D- + OH- + OT- + [18O]H- = Al[18O]DOHOT[18O]H- + 4 OH- +Al(OH)4- + [18O]D- + OH- + [18O]H- + OH- = Al[18O]DOH[18O]HOH- + 4 OH- +Al(OH)4- + [18O]D- + OH- + [18O]H- + OD- = Al[18O]DOH[18O]HOD- + 4 OH- +Al(OH)4- + [18O]D- + OH- + [18O]H- + OT- = Al[18O]DOH[18O]HOT- + 4 OH- +Al(OH)4- + [18O]D- + OH- + [18O]D- + OH- = Al[18O]DOH[18O]DOH- + 4 OH- +Al(OH)4- + [18O]D- + OH- + [18O]T- + OH- = Al[18O]DOH[18O]TOH- + 4 OH- +Al(OH)4- + [18O]D- + OD- + OH- + OH- = Al[18O]DODOHOH- + 4 OH- +Al(OH)4- + [18O]D- + OD- + OH- + OT- = Al[18O]DODOHOT- + 4 OH- +Al(OH)4- + [18O]D- + OD- + OH- + [18O]H- = Al[18O]DODOH[18O]H- + 4 OH- +Al(OH)4- + [18O]D- + OD- + OT- + OH- = Al[18O]DODOTOH- + 4 OH- +Al(OH)4- + [18O]D- + OD- + [18O]H- + OH- = Al[18O]DOD[18O]HOH- + 4 OH- +Al(OH)4- + [18O]D- + OT- + OH- + OH- = Al[18O]DOTOHOH- + 4 OH- +Al(OH)4- + [18O]D- + OT- + OH- + OD- = Al[18O]DOTOHOD- + 4 OH- +Al(OH)4- + [18O]D- + OT- + OH- + [18O]H- = Al[18O]DOTOH[18O]H- + 4 OH- +Al(OH)4- + [18O]D- + OT- + OD- + OH- = Al[18O]DOTODOH- + 4 OH- +Al(OH)4- + [18O]D- + OT- + [18O]H- + OH- = Al[18O]DOT[18O]HOH- + 4 OH- +Al(OH)4- + [18O]D- + [18O]H- + OH- + OH- = Al[18O]D[18O]HOHOH- + 4 OH- +Al(OH)4- + [18O]D- + [18O]H- + OH- + OD- = Al[18O]D[18O]HOHOD- + 4 OH- +Al(OH)4- + [18O]D- + [18O]H- + OH- + OT- = Al[18O]D[18O]HOHOT- + 4 OH- +Al(OH)4- + [18O]D- + [18O]H- + OD- + OH- = Al[18O]D[18O]HODOH- + 4 OH- +Al(OH)4- + [18O]D- + [18O]H- + OT- + OH- = Al[18O]D[18O]HOTOH- + 4 OH- +Al(OH)4- + [18O]D- + [18O]D- + OH- + OH- = Al[18O]D[18O]DOHOH- + 4 OH- +Al(OH)4- + [18O]D- + [18O]T- + OH- + OH- = Al[18O]D[18O]TOHOH- + 4 OH- +Al(OH)4- + [18O]T- + OH- + OH- + OH- = Al[18O]TOHOHOH- + 4 OH- +Al(OH)4- + [18O]T- + OH- + OH- + OD- = Al[18O]TOHOHOD- + 4 OH- +Al(OH)4- + [18O]T- + OH- + OH- + [18O]H- = Al[18O]TOHOH[18O]H- + 4 OH- +Al(OH)4- + [18O]T- + OH- + OH- + [18O]D- = Al[18O]TOHOH[18O]D- + 4 OH- +Al(OH)4- + [18O]T- + OH- + OD- + OH- = Al[18O]TOHODOH- + 4 OH- +Al(OH)4- + [18O]T- + OH- + OD- + OD- = Al[18O]TOHODOD- + 4 OH- +Al(OH)4- + [18O]T- + OH- + OD- + [18O]H- = Al[18O]TOHOD[18O]H- + 4 OH- +Al(OH)4- + [18O]T- + OH- + [18O]H- + OH- = Al[18O]TOH[18O]HOH- + 4 OH- +Al(OH)4- + [18O]T- + OH- + [18O]H- + OD- = Al[18O]TOH[18O]HOD- + 4 OH- +Al(OH)4- + [18O]T- + OH- + [18O]D- + OH- = Al[18O]TOH[18O]DOH- + 4 OH- +Al(OH)4- + [18O]T- + OD- + OH- + OH- = Al[18O]TODOHOH- + 4 OH- +Al(OH)4- + [18O]T- + OD- + OH- + OD- = Al[18O]TODOHOD- + 4 OH- +Al(OH)4- + [18O]T- + OD- + OH- + [18O]H- = Al[18O]TODOH[18O]H- + 4 OH- +Al(OH)4- + [18O]T- + OD- + OD- + OH- = Al[18O]TODODOH- + 4 OH- +Al(OH)4- + [18O]T- + OD- + [18O]H- + OH- = Al[18O]TOD[18O]HOH- + 4 OH- +Al(OH)4- + [18O]T- + [18O]H- + OH- + OH- = Al[18O]T[18O]HOHOH- + 4 OH- +Al(OH)4- + [18O]T- + [18O]H- + OH- + OD- = Al[18O]T[18O]HOHOD- + 4 OH- +Al(OH)4- + [18O]T- + [18O]H- + OD- + OH- = Al[18O]T[18O]HODOH- + 4 OH- +Al(OH)4- + [18O]T- + [18O]D- + OH- + OH- = Al[18O]T[18O]DOHOH- + 4 OH- # # Added AlSO4+ reactions 16Dec09 # @@ -6757,9 +6761,9 @@ AlSO4+ + [34S]O4-2 = Al[34S]O4+ + SO4-2 # Added Al(SO4)2- reactions 16Dec09 # Revised 17Dec09, limited the number of species # -Al(SO4)2- + SO4-2 + [34S]O4-2 = AlSO4[34S]O4- + 2SO4-2 -Al(SO4)2- + [34S]O4-2 + SO4-2 = Al[34S]O4SO4- + 2SO4-2 -Al(SO4)2- + [34S]O4-2 + [34S]O4-2 = Al[34S]O4[34S]O4- + 2SO4-2 +Al(SO4)2- + SO4-2 + [34S]O4-2 = AlSO4[34S]O4- + 2 SO4-2 +Al(SO4)2- + [34S]O4-2 + SO4-2 = Al[34S]O4SO4- + 2 SO4-2 +Al(SO4)2- + [34S]O4-2 + [34S]O4-2 = Al[34S]O4[34S]O4- + 2 SO4-2 # # Added AlHSO4+2 reactions 16Dec09 # @@ -6789,47 +6793,47 @@ PHASES # HDO(g) HDO(g) + H2O(l) = H2O(g) + HDO(aq) - -add_logk Log_alpha_D_H2O(g)/H2O(l) -1.0 + -add_logk Log_alpha_D_H2O(g)/H2O(l) -1 HTO(g) HTO(g) + H2O(l) = H2O(g) + HTO(aq) - -add_logk Log_alpha_T_H2O(g)/H2O(l) -1.0 + -add_logk Log_alpha_T_H2O(g)/H2O(l) -1 DTO(g) DTO(g) + H2O(g) = HDO(g) + HTO(g) - log_k 0.301029995663 # log10(2) + log_k 0.301029995663 # log10(2) D2O(g) - D2O(g) + H2O(g) = 2HDO(g) - log_k 0.602059991327962396 # log10(4) + D2O(g) + H2O(g) = 2 HDO(g) + log_k 0.602059991327962396 # log10(4) T2O(g) - T2O(g) + H2O(g) = 2HTO(g) - log_k 0.602059991327962396 # log10(4) + T2O(g) + H2O(g) = 2 HTO(g) + log_k 0.602059991327962396 # log10(4) H2[18O](g) H2[18O](g) + H2O(l) = H2O(g) + H2[18O](aq) - -add_logk Log_alpha_18O_H2O(g)/H2O(l) -1.0 + -add_logk Log_alpha_18O_H2O(g)/H2O(l) -1 HD[18O](g) HD[18O](g) + H2O(g) = HDO(g) + H2[18O](g) - log_k 0.0 + log_k 0 HT[18O](g) HT[18O](g) + H2O(g) = HTO(g) + H2[18O](g) - log_k 0.0 + log_k 0 D2[18O](g) D2[18O](g) + H2O(g) = D2O(g) + H2[18O](g) - log_k 0.0 + log_k 0 T2[18O](g) T2[18O](g) + H2O(g) = T2O(g) + H2[18O](g) - log_k 0.0 + log_k 0 DT[18O](g) DT[18O](g) + H2O(g) = DTO(g) + H2[18O](g) - log_k 0.0 + log_k 0 # # O2 gas - O2 aqueous # last update March 20, 2006 @@ -6839,11 +6843,11 @@ DT[18O](g) O[18O](g) O[18O](g) + H2O(l) = O2(g) + H2[18O](aq) ## symmetry K ?? - -add_logk Log_alpha_18O_O2(g)/H2O(l) -1.0 + -add_logk Log_alpha_18O_O2(g)/H2O(l) -1 [18O]2(g) - [18O]2(g) + O2(g) = 2O[18O](g) - log_k 0.602059991327962396 # log10(4) + [18O]2(g) + O2(g) = 2 O[18O](g) + log_k 0.602059991327962396 # log10(4) # # H2 gas - H2 aqueous # last update March 20, 2006 @@ -6852,23 +6856,23 @@ O[18O](g) # HD(g) HD(g) + H2O(l) = H2(g) + HDO(aq) - -add_logk Log_alpha_D_H2(g)/H2O(l) -1.0 + -add_logk Log_alpha_D_H2(g)/H2O(l) -1 HT(g) HT(g) + H2O(l) = H2(g) + HTO(aq) - -add_logk Log_alpha_T_H2(g)/H2O(l) -1.0 + -add_logk Log_alpha_T_H2(g)/H2O(l) -1 D2(g) - D2(g) + H2(g) = 2HD(g) - log_k 0.602059991327962396 # log10(4) - + D2(g) + H2(g) = 2 HD(g) + log_k 0.602059991327962396 # log10(4) + T2(g) - T2(g) + H2(g) = 2HT(g) - log_k 0.602059991327962396 # log10(4) + T2(g) + H2(g) = 2 HT(g) + log_k 0.602059991327962396 # log10(4) DT(g) DT(g) + H2(g) = HD(g) + HT(g) - log_k 0.301029995663 # log10(2) + log_k 0.301029995663 # log10(2) # # CO2 gas - CO2 aqueous # last update March 20, 2006 @@ -6877,36 +6881,36 @@ DT(g) # CO[18O](g) CO[18O](g) + H2O(l) = H2[18O](aq) + CO2(g) - log_k -0.301029995663 # -log10(2) - -add_logk Log_alpha_18O_CO2(g)/H2O(l) -1.0 + log_k -0.301029995663 # -log10(2) + -add_logk Log_alpha_18O_CO2(g)/H2O(l) -1 C[18O]2(g) - C[18O]2(g) + CO2(g) = 2CO[18O](g) - log_k 0.602059991327962396 # log10(4) + C[18O]2(g) + CO2(g) = 2 CO[18O](g) + log_k 0.602059991327962396 # log10(4) [13C]O2(g) [13C]O2(g) + CO2(aq) = [13C]O2(aq) + CO2(g) - -add_logk Log_alpha_13C_CO2(g)/CO2(aq) -1.0 + -add_logk Log_alpha_13C_CO2(g)/CO2(aq) -1 [13C]O[18O](g) [13C]O[18O](g) + CO2(g) = [13C]O2(g) + CO[18O](g) - log_k 0 + log_k 0 [13C][18O]2(g) [13C][18O]2(g) + CO2(g) = C[18O]2(g) + [13C]O2(g) - log_k 0 + log_k 0 [14C]O2(g) [14C]O2(g) + CO2(aq) = [14C]O2(aq) + CO2(g) - -add_logk Log_alpha_14C_CO2(g)/CO2(aq) -1.0 + -add_logk Log_alpha_14C_CO2(g)/CO2(aq) -1 [14C]O[18O](g) [14C]O[18O](g) + CO2(g) = [14C]O2(g) + CO[18O](g) - log_k 0 + log_k 0 [14C][18O]2(g) - [14C][18O]2(g) + CO2(g) = [14C]O2(g) + C[18O]2(g) - log_k 0 + [14C][18O]2(g) + CO2(g) = [14C]O2(g) + C[18O]2(g) + log_k 0 # # Calcite # last update Feb 13, 2006 @@ -6914,63 +6918,63 @@ C[18O]2(g) # Checked September 19, 2006 # CaCO2[18O](s) - CaCO2[18O](s) + H2O(l) = H2[18O](aq) + Calcite(s) - log_k -0.477121254719 # -log10(3) ??? - -add_logk Log_alpha_18O_Calcite/H2O(l) -1.0 + CaCO2[18O](s) + H2O(l) = H2[18O](aq) + Calcite(s) + log_k -0.477121254719 # -log10(3) ??? + -add_logk Log_alpha_18O_Calcite/H2O(l) -1 CaCO[18O]2(s) - CaCO[18O]2(s) + Calcite(s) = 2CaCO2[18O](s) - log_k 0.477121254719 # log10(3) + CaCO[18O]2(s) + Calcite(s) = 2 CaCO2[18O](s) + log_k 0.477121254719 # log10(3) CaC[18O]3(s) - CaC[18O]3(s) + 2Calcite(s) = 3CaCO2[18O](s) - log_k 1.431363764158 # log10(27) + CaC[18O]3(s) + 2 Calcite(s) = 3 CaCO2[18O](s) + log_k 1.431363764158 # log10(27) Ca[13C]O3(s) Ca[13C]O3(s) + CO2 = [13C]O2 + Calcite(s) - -add_logk Log_alpha_13C_Calcite/CO2(aq) -1.0 + -add_logk Log_alpha_13C_Calcite/CO2(aq) -1 Ca[13C]O2[18O](s) Ca[13C]O2[18O](s) + Calcite(s) = Ca[13C]O3(s) + CaCO2[18O](s) - log_k 0 + log_k 0 Ca[13C]O[18O]2(s) Ca[13C]O[18O]2(s) + Calcite(s) = Ca[13C]O3(s) + CaCO[18O]2(s) - log_k 0 + log_k 0 Ca[13C][18O]3(s) Ca[13C][18O]3(s) + Calcite(s) = Ca[13C]O3(s) + CaC[18O]3(s) - log_k 0 + log_k 0 Ca[14C]O3(s) Ca[14C]O3(s) + CO2 = Calcite(s) + [14C]O2 - -add_logk Log_alpha_14C_Calcite/CO2(aq) -1.0 + -add_logk Log_alpha_14C_Calcite/CO2(aq) -1 Ca[14C]O2[18O](s) Ca[14C]O2[18O](s) + Calcite(s) = Ca[14C]O3(s) + CaCO2[18O](s) - log_k 0 + log_k 0 Ca[14C]O[18O]2(s) Ca[14C]O[18O]2(s) + Calcite(s) = Ca[14C]O3(s) + CaCO[18O]2(s) - log_k 0 + log_k 0 Ca[14C][18O]3(s) Ca[14C][18O]3(s) + Calcite(s) = Ca[14C]O3(s) + CaC[18O]3(s) - log_k 0 + log_k 0 # # Pyrite, March 20, 2006 # Update September 28, 2006 # Checked September 28, 2006 -# +# Pyrite_FeS[34S] FeS[34S](s) + HS- = Pyrite(s) + H[34S]- - -add_logk Log_alpha_34S_Pyrite/HS- -1.0 + -add_logk Log_alpha_34S_Pyrite/HS- -1 Pyrite_Fe[34S]S Fe[34S]S(s) = Pyrite_FeS[34S](s) Pyrite_Fe[34S]2 - Fe[34S]2(s) + Pyrite(s) = 2Pyrite_FeS[34S](s) + Fe[34S]2(s) + Pyrite(s) = 2 Pyrite_FeS[34S](s) # # CH4 reactions # last update March 20, 2006 @@ -6979,53 +6983,53 @@ Pyrite_Fe[34S]2 # CH3D(g) CH3D(g) + H2O(l) = CH4(g) + HDO(aq) - log_k -0.301029995663 # -log10(2) ??? - -add_logk Log_alpha_D_CH4(g)/H2O(l) -1.0 + log_k -0.301029995663 # -log10(2) ??? + -add_logk Log_alpha_D_CH4(g)/H2O(l) -1 CH2D2(g) - CH2D2(g) + CH4(g) = 2CH3D(g) - log_k 0.42596873227228 # log10(8/3) + CH2D2(g) + CH4(g) = 2 CH3D(g) + log_k 0.42596873227228 # log10(8/3) CHD3(g) - CHD3(g) + 2CH4(g) = 3CH3D(g) - log_k 1.20411998265 # log10(16) + CHD3(g) + 2 CH4(g) = 3 CH3D(g) + log_k 1.20411998265 # log10(16) CD4(g) - CD4(g) + 3CH4(g) = 4CH3D(g) - log_k 2.408239965311 # log10(256) + CD4(g) + 3 CH4(g) = 4 CH3D(g) + log_k 2.408239965311 # log10(256) CH3T(g) CH3T(g) + H2O(l) = CH4(g) + HTO(aq) - log_k -0.301029995663 # -log10(2) ??? - -add_logk Log_alpha_T_CH4(g)/H2O(l) -1.0 + log_k -0.301029995663 # -log10(2) ??? + -add_logk Log_alpha_T_CH4(g)/H2O(l) -1 CH2T2(g) - CH2T2(g) + CH4(g) = 2CH3T(g) - log_k 0.42596873227228 # log10(8/3) + CH2T2(g) + CH4(g) = 2 CH3T(g) + log_k 0.42596873227228 # log10(8/3) CHT3(g) - CHT3(g) + 2CH4(g) = 3CH3T(g) - log_k 1.20411998265 # log10(16) + CHT3(g) + 2 CH4(g) = 3 CH3T(g) + log_k 1.20411998265 # log10(16) CT4(g) - CT4(g) + 3CH4(g) = 4CH3T(g) - log_k 2.408239965311 # log10(256) + CT4(g) + 3 CH4(g) = 4 CH3T(g) + log_k 2.408239965311 # log10(256) CD3T(g) CD3T(g) + CH4(g) = CHD3(g) + CH3T(g) - log_k 0.602059991327962396 # log10(4) + log_k 0.602059991327962396 # log10(4) CD2T2(g) CD2T2(g) + CH4(g) = CH2D2(g) + CH2T2(g) - log_k 0.7781512503836 # log10(6) + log_k 0.7781512503836 # log10(6) CDT3(g) CDT3(g) + CH4(g) = CHT3(g) + CH3D(g) - log_k 0.602059991327962396 # log10(4) + log_k 0.602059991327962396 # log10(4) [13C]H4(g) [13C]H4(g) + CO2(aq) = [13C]O2(aq) + CH4(g) - -add_logk Log_alpha_13C_CH4(g)/CO2(aq) -1.0 + -add_logk Log_alpha_13C_CH4(g)/CO2(aq) -1 [13C]H3D(g) [13C]H3D(g) + CH4(g) = CH3D(g) + [13C]H4(g) @@ -7056,50 +7060,50 @@ CDT3(g) [13C]D2T2(g) [13C]D2T2(g) + CH4(g) = CD2T2(g) + [13C]H4(g) - + [13C]DT3(g) [13C]DT3(g) + CH4(g) = CDT3(g) + [13C]H4(g) - + [13C]T4(g) [13C]T4(g) + CH4(g) = CT4(g) + [13C]H4(g) - + [14C]H4(g) [14C]H4(g) + CO2(aq) = [14C]O2(aq) + CH4(g) - -add_logk Log_alpha_14C_CH4(g)/CO2(aq) -1.0 - + -add_logk Log_alpha_14C_CH4(g)/CO2(aq) -1 + [14C]H3D(g) [14C]H3D(g) + CH4(g) = CH3D(g) + [14C]H4(g) - + [14C]H2D2(g) [14C]H2D2(g) + CH4(g) = CH2D2(g) + [14C]H4(g) - + [14C]HD3(g) [14C]HD3(g) + CH4(g) = CHD3(g) + [14C]H4(g) [14C]D4(g) [14C]D4(g) + CH4(g) = CD4(g) + [14C]H4(g) - + [14C]H3T(g) [14C]H3T(g) + CH4(g) = CH3T(g) + [14C]H4(g) - + [14C]H2T2(g) [14C]H2T2(g) + CH4(g) = CH2T2(g) + [14C]H4(g) - + [14C]HT3(g) [14C]HT3(g) + CH4(g) = CHT3(g) + [14C]H4(g) - + [14C]T4(g) [14C]T4(g) + CH4(g) = CT4(g) + [14C]H4(g) - + [14C]D3T(g) [14C]D3T(g) + CH4(g) = CD3T(g) + [14C]H4(g) - + [14C]D2T2(g) [14C]D2T2(g) + CH4(g) = CD2T2(g) + [14C]H4(g) - + [14C]DT3(g) [14C]DT3(g) + CH4(g) = CDT3(g) + [14C]H4(g) - + [14C]T4(g) [14C]T4(g) + CH4(g) = CT4(g) + [14C]H4(g) # @@ -7109,27 +7113,27 @@ CDT3(g) # HDS(g) HDS(g) + H2S(aq) = HDS(aq) + H2S(g) - -add_logk Log_alpha_D_H2S(g)/H2S(aq) -1.0 + -add_logk Log_alpha_D_H2S(g)/H2S(aq) -1 D2S(g) - D2S(g) + H2S(g) = 2HDS(g) - log_k 0.602059991327962396 # log10(4) + D2S(g) + H2S(g) = 2 HDS(g) + log_k 0.602059991327962396 # log10(4) HTS(g) HTS(g) + H2S(aq) = HTS(aq) + H2S(g) - -add_logk Log_alpha_T_H2S(g)/H2S(aq) -1.0 + -add_logk Log_alpha_T_H2S(g)/H2S(aq) -1 T2S(g) - T2S(g) + H2S(g) = 2HTS(g) - log_k 0.602059991327962396 # log10(4) + T2S(g) + H2S(g) = 2 HTS(g) + log_k 0.602059991327962396 # log10(4) DTS(g) DTS(g) + H2S(g) = HDS(g) + HTS(g) - log_k 0.301029995663 # log10(2) + log_k 0.301029995663 # log10(2) H2[34S](g) H2[34S](g) + H2S(aq) = H2[34S](aq) + H2S(g) - -add_logk Log_alpha_34S_H2S(g)/H2S(aq) -1.0 + -add_logk Log_alpha_34S_H2S(g)/H2S(aq) -1 HD[34S](g) HD[34S](g) + H2S(g) = HDS(g) + H2[34S](g) @@ -7151,60 +7155,60 @@ DT[34S](g) # Ca[34S]O4:2H2O Ca[34S]O4:2H2O + SO4-2 = [34S]O4-2 + Gypsum(s) - -add_logk Log_alpha_34S_Gypsum/SO4-2 -1.0 + -add_logk Log_alpha_34S_Gypsum/SO4-2 -1 Ca[34S]O4 Ca[34S]O4 + SO4-2 = [34S]O4-2 + Anhydrite(s) - -add_logk Log_alpha_34S_Anhydrite/SO4-2 -1.0 + -add_logk Log_alpha_34S_Anhydrite/SO4-2 -1 # # Nitrogen phases # Checked September 19, 2006 # N[15N](g) N[15N](g) + N2(aq) = N[15N](aq) + N2(g) - -add_logk Log_alpha_15N_N2(g)/N2(aq) -1.0 + -add_logk Log_alpha_15N_N2(g)/N2(aq) -1 [15N]2(g) - [15N]2(g) + N2(g) = 2N[15N](g) - log_k 0.602059991327962396 # log10(4) + [15N]2(g) + N2(g) = 2 N[15N](g) + log_k 0.602059991327962396 # log10(4) NH2D(g) NH2D(g) + H2O(l) = NH3(g) + HDO(aq) ## symmetry K?? - -add_logk Log_alpha_D_NH3(g)/H2O(l) -1.0 + -add_logk Log_alpha_D_NH3(g)/H2O(l) -1 NHD2(g) - NHD2(g) + NH3(g) = 2NH2D(g) - log_k 0.477121254719 # log10(3) + NHD2(g) + NH3(g) = 2 NH2D(g) + log_k 0.477121254719 # log10(3) ND3(g) - ND3(g) + 2NH3(g) = 3NH2D(g) - -logk 1.431363764158 # log10(27) + ND3(g) + 2 NH3(g) = 3 NH2D(g) + -logk 1.431363764158 # log10(27) NH2T(g) NH2T(g) + H2O(l) = NH3(g) + HTO(aq) ## symmetry K?? - -add_logk Log_alpha_T_NH3(g)/H2O(l) -1.0 + -add_logk Log_alpha_T_NH3(g)/H2O(l) -1 NHT2(g) - NHT2(g) + NH3(g) = 2NH2T(g) - log_k 0.477121254719 # log10(3) + NHT2(g) + NH3(g) = 2 NH2T(g) + log_k 0.477121254719 # log10(3) NT3(g) - NT3(g) + 2NH3(g) = 3NH2T(g) - -logk 1.431363764158 # log10(27) + NT3(g) + 2 NH3(g) = 3 NH2T(g) + -logk 1.431363764158 # log10(27) ND2T(g) ND2T(g) + NH3(g) = NHD2(g) + NH2T(g) - log_k 0.477121254719 # log10(3) + log_k 0.477121254719 # log10(3) NDT2(g) NDT2(g) + NH3(g) = NH2D(g) + NHT2(g) - log_k 0.477121254719 # log10(3) + log_k 0.477121254719 # log10(3) [15N]H3(g) [15N]H3(g) + NH3(aq) = [15N]H3(aq) + NH3(g) - -add_logk Log_alpha_15N_NH3(g)/NH3(aq) -1.0 + -add_logk Log_alpha_15N_NH3(g)/NH3(aq) -1 [15N]H2D(g) [15N]H2D(g) + NH3(g) = NH2D(g) + [15N]H3(g) diff --git a/src/phreeqcinwt/databases/llnl.dat b/src/phreeqcinwt/databases/llnl.dat index 0c1904c..64b2c23 100644 --- a/src/phreeqcinwt/databases/llnl.dat +++ b/src/phreeqcinwt/databases/llnl.dat @@ -1,8 +1,12 @@ +# File 1 = C:\GitPrograms\phreeqc3-1\database\llnl.dat, 17/05/2024 14:23, 19306 lines, 776949 bytes, md5=efbcb7244fbe9063e0020cf5d1e00458 +# Created 17 May 2024 14:30:38 +# c:\3rdParty\lsp\lsp.exe -f2 -k="asis" -ts "llnl.dat" + # $Id: llnl.dat 12758 2017-08-01 22:09:36Z dlpark $ #Data are from 'thermo.com.V8.R6.230' prepared by Jim Johnson at #Lawrence Livermore National Laboratory, in Geochemist's Workbench #format. Converted to Phreeqc format by Greg Anderson with help from -#David Parkhurst. A few organic species have been omitted. +#David Parkhurst. A few organic species have been omitted. #Delta H of reaction calculated from Delta H of formations given in #thermo.com.V8.R6.230 (8 Mar 2000). @@ -17,34 +21,34 @@ LLNL_AQUEOUS_MODEL_PARAMETERS -temperatures - 0.0100 25.0000 60.0000 100.0000 - 150.0000 200.0000 250.0000 300.0000 + 0.01 25 60 100 + 150 200 250 300 #debye huckel a (adh) -dh_a - 0.4939 0.5114 0.5465 0.5995 - 0.6855 0.7994 0.9593 1.2180 + 0.4939 0.5114 0.5465 0.5995 + 0.6855 0.7994 0.9593 1.218 #debye huckel b (bdh) -dh_b - 0.3253 0.3288 0.3346 0.3421 - 0.3525 0.3639 0.3766 0.3925 + 0.3253 0.3288 0.3346 0.3421 + 0.3525 0.3639 0.3766 0.3925 -bdot - 0.0374 0.0410 0.0438 0.0460 - 0.0470 0.0470 0.0340 0.0000 + 0.0374 0.041 0.0438 0.046 + 0.047 0.047 0.034 0 #cco2 (coefficients for the Drummond (1981) polynomial) -co2_coefs - -1.0312 0.0012806 - 255.9 0.4445 + -1.0312 0.0012806 + 255.9 0.4445 -0.001606 NAMED_EXPRESSIONS # -# formation of O2 from H2O -# 2H2O = O2 + 4H+ + 4e- +# formation of O2 from H2O +# 2H2O = O2 + 4H+ + 4e- # Log_K_O2 - log_k -85.9951 - -delta_H 559.543 kJ/mol # Calculated enthalpy of reaction O2 + log_k -85.9951 + -delta_H 559.543 kJ/mol # Calculated enthalpy of reaction O2 # Enthalpy of formation: -2.9 kcal/mol - -analytic 38.0229 7.99407E-03 -2.7655e+004 -1.4506e+001 199838.45 + -analytic 38.0229 7.99407E-3 -2.7655e+4 -1.4506e+1 199838.45 # Range: 0-300 @@ -52,792 +56,792 @@ SOLUTION_MASTER_SPECIES #element species alk gfw_formula element_gfw -Acetate HAcetate 0.0 Acetate 59. -Ag Ag+ 0.0 Ag 107.8682 -Ag(1) Ag+ 0 Ag -Ag(2) Ag+2 0 Ag -Al Al+3 0.0 Al 26.9815 -Alkalinity HCO3- 1.0 Ca0.5(CO3)0.5 50.05 -Am Am+3 0.0 Am 243.0000 -Am(+2) Am+2 0.0 Am -Am(+3) Am+3 0.0 Am -Am(+4) Am+4 0.0 Am -Am(+5) AmO2+ 0.0 Am -Am(+6) AmO2+2 0.0 Am -Ar Ar 0.0 Ar 39.948 -As H2AsO4- 0.0 As 74.9216 -As(-3) AsH3 0.0 As -As(+3) H2AsO3- 0.0 As -As(+5) H2AsO4- 0.0 As -Au Au+ 0.0 Au 196.9665 -Au(+1) Au+ 0.0 Au -Au(+3) Au+3 0.0 Au +Acetate HAcetate 0 Acetate 59 +Ag Ag+ 0 Ag 107.8682 +Ag(1) Ag+ 0 Ag +Ag(2) Ag+2 0 Ag +Al Al+3 0 Al 26.9815 +Alkalinity HCO3- 1 Ca0.5(CO3)0.5 50.05 +Am Am+3 0 Am 243 +Am(+2) Am+2 0 Am +Am(+3) Am+3 0 Am +Am(+4) Am+4 0 Am +Am(+5) AmO2+ 0 Am +Am(+6) AmO2+2 0 Am +Ar Ar 0 Ar 39.948 +As H2AsO4- 0 As 74.9216 +As(-3) AsH3 0 As +As(+3) H2AsO3- 0 As +As(+5) H2AsO4- 0 As +Au Au+ 0 Au 196.9665 +Au(+1) Au+ 0 Au +Au(+3) Au+3 0 Au #B H3BO3 0.0 B 10.811 -B B(OH)3 0.0 B 10.811 -B(3) B(OH)3 0 B -B(-5) BH4- 0 B -Ba Ba+2 0.0 Ba 137.3270 -Be Be+2 0.0 Be 9.0122 -Br Br- 0.0 Br 79.904 -Br(-03) Br3- 0 Br -Br(-1) Br- 0 Br -Br(0) Br2 0 Br -Br(1) BrO- 0 Br -Br(5) BrO3- 0 Br -Br(7) BrO4- 0 Br -C(-4) CH4 0.0 CH4 -C(-3) C2H6 0.0 C2H6 -C(-2) C2H4 0.0 C2H4 -C HCO3- 1.0 HCO3 12.0110 -C(+2) CO 0 C -C(+4) HCO3- 1.0 HCO3 -Ca Ca+2 0.0 Ca 40.078 -Cyanide Cyanide- 1.0 CN 26. -Cd Cd+2 0.0 Cd 112.411 -Ce Ce+3 0.0 Ce 140.115 -Ce(+2) Ce+2 0.0 Ce -Ce(+3) Ce+3 0.0 Ce -Ce(+4) Ce+4 0.0 Ce -Cl Cl- 0.0 Cl 35.4527 -Cl(-1) Cl- 0 Cl -Cl(1) ClO- 0 Cl -Cl(3) ClO2- 0 Cl -Cl(5) ClO3- 0 Cl -Cl(7) ClO4- 0 Cl -Co Co+2 0.0 Co 58.9332 -Co(+2) Co+2 0.0 Co -Co(+3) Co+3 0.0 Co -Cr CrO4-2 0.0 CrO4-2 51.9961 -Cr(+2) Cr+2 0.0 Cr -Cr(+3) Cr+3 0.0 Cr -Cr(+5) CrO4-3 0.0 Cr -Cr(+6) CrO4-2 0.0 Cr -Cs Cs+ 0.0 Cs 132.9054 -Cu Cu+2 0.0 Cu 63.546 -Cu(+1) Cu+1 0.0 Cu -Cu(+2) Cu+2 0.0 Cu -Dy Dy+3 0.0 Dy 162.50 -Dy(+2) Dy+2 0.0 Dy -Dy(+3) Dy+3 0.0 Dy -E e- 0.0 0.0 0.0 -Er Er+3 0.0 Er 167.26 -Er(+2) Er+2 0.0 Er -Er(+3) Er+3 0.0 Er -Ethylene Ethylene 0.0 Ethylene 28.0536 -Eu Eu+3 0.0 Eu 151.965 -Eu(+2) Eu+2 0.0 Eu -Eu(+3) Eu+3 0.0 Eu -F F- 0.0 F 18.9984 -Fe Fe+2 0.0 Fe 55.847 -Fe(+2) Fe+2 0.0 Fe -Fe(+3) Fe+3 -2.0 Fe -Ga Ga+3 0.0 Ga 69.723 -Gd Gd+3 0.0 Gd 157.25 -Gd(+2) Gd+2 0.0 Gd -Gd(+3) Gd+3 0.0 Gd -H H+ -1. H 1.0079 -H(0) H2 0.0 H -H(+1) H+ -1. 0.0 -He He 0.0 He 4.0026 -He(0) He 0.0 He -Hf Hf+4 0.0 Hf 178.49 -Hg Hg+2 0.0 Hg 200.59 -Hg(+1) Hg2+2 0.0 Hg -Hg(+2) Hg+2 0.0 Hg -Ho Ho+3 0.0 Ho 164.9303 -Ho(+2) Ho+2 0.0 Ho -Ho(+3) Ho+3 0.0 Ho -I I- 0.0 I 126.9045 -I(-03) I3- 0 I -I(-1) I- 0.0 I -I(+1) IO- 0.0 I -I(+5) IO3- 0.0 I -I(+7) IO4- 0.0 I -In In+3 0.0 In 114.82 -K K+ 0.0 K 39.0983 -Kr Kr 0.0 Kr 83.80 -Kr(0) Kr 0.0 Kr -La La+3 0.0 La 138.9055 -La(2) La+2 0 La -La(3) La+3 0 La -Li Li+ 0.0 Li 6.9410 -Lu Lu+3 0.0 Lu 174.967 -Mg Mg+2 0.0 Mg 24.305 -Mn Mn+2 0.0 Mn 54.938 -Mn(+2) Mn+2 0.0 Mn -Mn(+3) Mn+3 0.0 Mn -Mn(+6) MnO4-2 0 Mn -Mn(+7) MnO4- 0 Mn -Mo MoO4-2 0.0 Mo 95.94 -N NH3 1.0 N 14.0067 -N(-3) NH3 1.0 N -N(-03) N3- 0.0 N -N(0) N2 0.0 N -N(+3) NO2- 0.0 N -N(+5) NO3- 0.0 N -Na Na+ 0.0 Na 22.9898 -Nd Nd+3 0.0 Nd 144.24 -Nd(+2) Nd+2 0.0 Nd -Nd(+3) Nd+3 0.0 Nd -Ne Ne 0.0 Ne 20.1797 +B B(OH)3 0 B 10.811 +B(3) B(OH)3 0 B +B(-5) BH4- 0 B +Ba Ba+2 0 Ba 137.327 +Be Be+2 0 Be 9.0122 +Br Br- 0 Br 79.904 +Br(-03) Br3- 0 Br +Br(-1) Br- 0 Br +Br(0) Br2 0 Br +Br(1) BrO- 0 Br +Br(5) BrO3- 0 Br +Br(7) BrO4- 0 Br +C(-4) CH4 0 CH4 +C(-3) C2H6 0 C2H6 +C(-2) C2H4 0 C2H4 +C HCO3- 1 HCO3 12.011 +C(+2) CO 0 C +C(+4) HCO3- 1 HCO3 +Ca Ca+2 0 Ca 40.078 +Cyanide Cyanide- 1 CN 26 +Cd Cd+2 0 Cd 112.411 +Ce Ce+3 0 Ce 140.115 +Ce(+2) Ce+2 0 Ce +Ce(+3) Ce+3 0 Ce +Ce(+4) Ce+4 0 Ce +Cl Cl- 0 Cl 35.4527 +Cl(-1) Cl- 0 Cl +Cl(1) ClO- 0 Cl +Cl(3) ClO2- 0 Cl +Cl(5) ClO3- 0 Cl +Cl(7) ClO4- 0 Cl +Co Co+2 0 Co 58.9332 +Co(+2) Co+2 0 Co +Co(+3) Co+3 0 Co +Cr CrO4-2 0 CrO4-2 51.9961 +Cr(+2) Cr+2 0 Cr +Cr(+3) Cr+3 0 Cr +Cr(+5) CrO4-3 0 Cr +Cr(+6) CrO4-2 0 Cr +Cs Cs+ 0 Cs 132.9054 +Cu Cu+2 0 Cu 63.546 +Cu(+1) Cu+1 0 Cu +Cu(+2) Cu+2 0 Cu +Dy Dy+3 0 Dy 162.5 +Dy(+2) Dy+2 0 Dy +Dy(+3) Dy+3 0 Dy +E e- 1 0 0 +Er Er+3 0 Er 167.26 +Er(+2) Er+2 0 Er +Er(+3) Er+3 0 Er +Ethylene Ethylene 0 Ethylene 28.0536 +Eu Eu+3 0 Eu 151.965 +Eu(+2) Eu+2 0 Eu +Eu(+3) Eu+3 0 Eu +F F- 0 F 18.9984 +Fe Fe+2 0 Fe 55.847 +Fe(+2) Fe+2 0 Fe +Fe(+3) Fe+3 -2 Fe +Ga Ga+3 0 Ga 69.723 +Gd Gd+3 0 Gd 157.25 +Gd(+2) Gd+2 0 Gd +Gd(+3) Gd+3 0 Gd +H H+ -1 H 1.0079 +H(0) H2 0 H +H(+1) H+ -1 0 +He He 0 He 4.0026 +He(0) He 0 He +Hf Hf+4 0 Hf 178.49 +Hg Hg+2 0 Hg 200.59 +Hg(+1) Hg2+2 0 Hg +Hg(+2) Hg+2 0 Hg +Ho Ho+3 0 Ho 164.9303 +Ho(+2) Ho+2 0 Ho +Ho(+3) Ho+3 0 Ho +I I- 0 I 126.9045 +I(-03) I3- 0 I +I(-1) I- 0 I +I(+1) IO- 0 I +I(+5) IO3- 0 I +I(+7) IO4- 0 I +In In+3 0 In 114.82 +K K+ 0 K 39.0983 +Kr Kr 0 Kr 83.8 +Kr(0) Kr 0 Kr +La La+3 0 La 138.9055 +La(2) La+2 0 La +La(3) La+3 0 La +Li Li+ 0 Li 6.941 +Lu Lu+3 0 Lu 174.967 +Mg Mg+2 0 Mg 24.305 +Mn Mn+2 0 Mn 54.938 +Mn(+2) Mn+2 0 Mn +Mn(+3) Mn+3 0 Mn +Mn(+6) MnO4-2 0 Mn +Mn(+7) MnO4- 0 Mn +Mo MoO4-2 0 Mo 95.94 +N NH3 1 N 14.0067 +N(-3) NH3 1 N +N(-03) N3- 0 N +N(0) N2 0 N +N(+3) NO2- 0 N +N(+5) NO3- 0 N +Na Na+ 0 Na 22.9898 +Nd Nd+3 0 Nd 144.24 +Nd(+2) Nd+2 0 Nd +Nd(+3) Nd+3 0 Nd +Ne Ne 0 Ne 20.1797 #Ne(0) Ne 0.0 Ne -Ni Ni+2 0.0 Ni 58.69 -Np Np+4 0.0 Np 237.048 -Np(+3) Np+3 0.0 Np -Np(+4) Np+4 0.0 Np -Np(+5) NpO2+ 0.0 Np -Np(+6) NpO2+2 0.0 Np -O H2O 0.0 O 15.994 -O(-2) H2O 0.0 0.0 -O(0) O2 0.0 O +Ni Ni+2 0 Ni 58.69 +Np Np+4 0 Np 237.048 +Np(+3) Np+3 0 Np +Np(+4) Np+4 0 Np +Np(+5) NpO2+ 0 Np +Np(+6) NpO2+2 0 Np +O H2O 0 O 15.994 +O(-2) H2O 0 0 +O(0) O2 0 O O_phthalate O_phthalate-2 0 1 1 -P HPO4-2 2.0 P 30.9738 -P(-3) PH4+ 0 P -P(5) HPO4-2 2.0 P -Pb Pb+2 0.0 Pb 207.20 -Pb(+2) Pb+2 0.0 Pb -Pb(+4) Pb+4 0.0 Pb -Pd Pd+2 0.0 Pd 106.42 -Pm Pm+3 0.0 Pm 147.00 -Pm(+2) Pm+2 0.0 Pm -Pm(+3) Pm+3 0.0 Pm -Pr Pr+3 0.0 Pr 140.9076 -Pr(+2) Pr+2 0.0 Pr -Pr(+3) Pr+3 0.0 Pr -Pu Pu+4 0.0 Pu 244.00 -Pu(+3) Pu+3 0.0 Pu -Pu(+4) Pu+4 0.0 Pu -Pu(+5) PuO2+ 0.0 Pu -Pu(+6) PuO2+2 0.0 Pu -Ra Ra+2 0.0 Ra 226.025 -Rb Rb+ 0.0 Rb 85.4678 -Re ReO4- 0.0 Re 186.207 -Rn Rn 0.0 Rn 222.00 -Ru RuO4-2 0.0 Ru 101.07 -Ru(+2) Ru+2 0.0 Ru -Ru(+3) Ru+3 0.0 Ru -Ru(+4) Ru(OH)2+2 0.0 Ru -Ru(+6) RuO4-2 0.0 Ru -Ru(+7) RuO4- 0.0 Ru -Ru(+8) RuO4 0.0 Ru -S SO4-2 0.0 SO4 32.066 -S(-2) HS- 1.0 S -S(+2) S2O3-2 0.0 S -S(+3) S2O4-2 0.0 S -S(+4) SO3-2 0.0 S -S(+5) S2O5-2 0.0 S -S(+6) SO4-2 0.0 SO4 -S(+7) S2O8-2 0.0 S -S(+8) HSO5- 0.0 S -Sb Sb(OH)3 0.0 Sb 121.75 -Sc Sc+3 0.0 Sc 44.9559 -Se SeO3-2 0.0 Se 78.96 -Se(-2) HSe- 0.0 Se -Se(+4) SeO3-2 0.0 Se -Se(+6) SeO4-2 0.0 Se -Si SiO2 0.0 SiO2 28.0855 -Sm Sm+3 0.0 Sm 150.36 -Sm(+2) Sm+2 0.0 Sm -Sm(+3) Sm+3 0.0 Sm -Sn Sn+2 0.0 Sn 118.71 -Sn(+2) Sn+2 0.0 Sn -Sn(+4) Sn+4 0.0 Sn -Sr Sr+2 0.0 Sr 87.62 -Tb Tb+3 0.0 Tb 158.9253 -Tb(+2) Tb+2 0.0 Tb -Tb(+3) Tb+3 0.0 Tb -Tc TcO4- 0.0 Tc 98.00 -Tc(+3) Tc+3 0.0 Tc -Tc(+4) TcO+2 0.0 Tc -Tc(+5) TcO4-3 0.0 Tc -Tc(+6) TcO4-2 0.0 Tc -Tc(+7) TcO4- 0.0 Tc -Thiocyanate Thiocyanate- 0.0 SCN 58. -Th Th+4 0.0 Th 232.0381 -Ti Ti(OH)4 0.0 Ti 47.88 -Tl Tl+ 0.0 Tl 204.3833 -Tl(+1) Tl+ 0.0 Tl -Tl(+3) Tl+3 0.0 Tl -Tm Tm+3 0.0 Tm 168.9342 -Tm(+2) Tm+2 0.0 Tm -Tm(+3) Tm+3 0.0 Tm -U UO2+2 0.0 U 238.0289 -U(+3) U+3 0.0 U -U(+4) U+4 0.0 U -U(+5) UO2+ 0.0 U -U(+6) UO2+2 0.0 U -V VO+2 0.0 V 50.9415 -V(+3) V+3 0.0 V -V(+4) VO+2 0.0 V -V(+5) VO2+ 0.0 V -W WO4-2 0.0 W 183.85 -Xe Xe 0.0 Xe 131.29 -Xe(0) Xe 0.0 Xe -Y Y+3 0.0 Y 88.9059 -Yb Yb+3 0.0 Yb 173.04 -Yb(+2) Yb+2 0.0 Yb -Yb(+3) Yb+3 0.0 Yb -Zn Zn+2 0.0 Zn 65.39 -Zr Zr(OH)2+2 0.0 Zr 91.224 +P HPO4-2 2 P 30.9738 +P(-3) PH4+ 0 P +P(5) HPO4-2 2 P +Pb Pb+2 0 Pb 207.2 +Pb(+2) Pb+2 0 Pb +Pb(+4) Pb+4 0 Pb +Pd Pd+2 0 Pd 106.42 +Pm Pm+3 0 Pm 147 +Pm(+2) Pm+2 0 Pm +Pm(+3) Pm+3 0 Pm +Pr Pr+3 0 Pr 140.9076 +Pr(+2) Pr+2 0 Pr +Pr(+3) Pr+3 0 Pr +Pu Pu+4 0 Pu 244 +Pu(+3) Pu+3 0 Pu +Pu(+4) Pu+4 0 Pu +Pu(+5) PuO2+ 0 Pu +Pu(+6) PuO2+2 0 Pu +Ra Ra+2 0 Ra 226.025 +Rb Rb+ 0 Rb 85.4678 +Re ReO4- 0 Re 186.207 +Rn Rn 0 Rn 222 +Ru RuO4-2 0 Ru 101.07 +Ru(+2) Ru+2 0 Ru +Ru(+3) Ru+3 0 Ru +Ru(+4) Ru(OH)2+2 0 Ru +Ru(+6) RuO4-2 0 Ru +Ru(+7) RuO4- 0 Ru +Ru(+8) RuO4 0 Ru +S SO4-2 0 SO4 32.066 +S(-2) HS- 1 S +S(+2) S2O3-2 0 S +S(+3) S2O4-2 0 S +S(+4) SO3-2 0 S +S(+5) S2O5-2 0 S +S(+6) SO4-2 0 SO4 +S(+7) S2O8-2 0 S +S(+8) HSO5- 0 S +Sb Sb(OH)3 0 Sb 121.75 +Sc Sc+3 0 Sc 44.9559 +Se SeO3-2 0 Se 78.96 +Se(-2) HSe- 0 Se +Se(+4) SeO3-2 0 Se +Se(+6) SeO4-2 0 Se +Si SiO2 0 SiO2 28.0855 +Sm Sm+3 0 Sm 150.36 +Sm(+2) Sm+2 0 Sm +Sm(+3) Sm+3 0 Sm +Sn Sn+2 0 Sn 118.71 +Sn(+2) Sn+2 0 Sn +Sn(+4) Sn+4 0 Sn +Sr Sr+2 0 Sr 87.62 +Tb Tb+3 0 Tb 158.9253 +Tb(+2) Tb+2 0 Tb +Tb(+3) Tb+3 0 Tb +Tc TcO4- 0 Tc 98 +Tc(+3) Tc+3 0 Tc +Tc(+4) TcO+2 0 Tc +Tc(+5) TcO4-3 0 Tc +Tc(+6) TcO4-2 0 Tc +Tc(+7) TcO4- 0 Tc +Thiocyanate Thiocyanate- 0 SCN 58 +Th Th+4 0 Th 232.0381 +Ti Ti(OH)4 0 Ti 47.88 +Tl Tl+ 0 Tl 204.3833 +Tl(+1) Tl+ 0 Tl +Tl(+3) Tl+3 0 Tl +Tm Tm+3 0 Tm 168.9342 +Tm(+2) Tm+2 0 Tm +Tm(+3) Tm+3 0 Tm +U UO2+2 0 U 238.0289 +U(+3) U+3 0 U +U(+4) U+4 0 U +U(+5) UO2+ 0 U +U(+6) UO2+2 0 U +V VO+2 0 V 50.9415 +V(+3) V+3 0 V +V(+4) VO+2 0 V +V(+5) VO2+ 0 V +W WO4-2 0 W 183.85 +Xe Xe 0 Xe 131.29 +Xe(0) Xe 0 Xe +Y Y+3 0 Y 88.9059 +Yb Yb+3 0 Yb 173.04 +Yb(+2) Yb+2 0 Yb +Yb(+3) Yb+3 0 Yb +Zn Zn+2 0 Zn 65.39 +Zr Zr(OH)2+2 0 Zr 91.224 SOLUTION_SPECIES -HAcetate = HAcetate - -llnl_gamma 3.0000 +HAcetate = HAcetate + -llnl_gamma 3 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction HAcetate + -delta_H 0 kJ/mol # Calculated enthalpy of reaction HAcetate # Enthalpy of formation: -116.1 kcal/mol -Ag+ = Ag+ - -llnl_gamma 2.5000 +Ag+ = Ag+ + -llnl_gamma 2.5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ag+ + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ag+ # Enthalpy of formation: 25.275 kcal/mol -Al+3 = Al+3 - -llnl_gamma 9.0000 +Al+3 = Al+3 + -llnl_gamma 9 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Al+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Al+3 # Enthalpy of formation: -128.681 kcal/mol -Am+3 = Am+3 - -llnl_gamma 5.0000 +Am+3 = Am+3 + -llnl_gamma 5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Am+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Am+3 # Enthalpy of formation: -616.7 kJ/mol -Ar = Ar - -llnl_gamma 3.0000 +Ar = Ar + -llnl_gamma 3 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ar + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ar # Enthalpy of formation: -2.87 kcal/mol -Au+ = Au+ - -llnl_gamma 4.0000 +Au+ = Au+ + -llnl_gamma 4 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Au+ + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Au+ # Enthalpy of formation: 47.58 kcal/mol -B(OH)3 = B(OH)3 - -llnl_gamma 3.0000 +B(OH)3 = B(OH)3 + -llnl_gamma 3 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction B(OH)3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction B(OH)3 # Enthalpy of formation: -256.82 kcal/mol -Ba+2 = Ba+2 - -llnl_gamma 5.0000 +Ba+2 = Ba+2 + -llnl_gamma 5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ba+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ba+2 # Enthalpy of formation: -128.5 kcal/mol -Be+2 = Be+2 - -llnl_gamma 8.0000 +Be+2 = Be+2 + -llnl_gamma 8 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Be+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Be+2 # Enthalpy of formation: -91.5 kcal/mol -Br- = Br- - -llnl_gamma 3.0000 +Br- = Br- + -llnl_gamma 3 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Br- + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Br- # Enthalpy of formation: -29.04 kcal/mol -Ca+2 = Ca+2 - -llnl_gamma 6.0000 +Ca+2 = Ca+2 + -llnl_gamma 6 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ca+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ca+2 # Enthalpy of formation: -129.8 kcal/mol -Cd+2 = Cd+2 - -llnl_gamma 5.0000 +Cd+2 = Cd+2 + -llnl_gamma 5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Cd+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Cd+2 # Enthalpy of formation: -18.14 kcal/mol -Ce+3 = Ce+3 - -llnl_gamma 9.0000 +Ce+3 = Ce+3 + -llnl_gamma 9 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ce+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ce+3 # Enthalpy of formation: -167.4 kcal/mol -Cl- = Cl- - -llnl_gamma 3.0000 +Cl- = Cl- + -llnl_gamma 3 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Cl- + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Cl- # Enthalpy of formation: -39.933 kcal/mol -Co+2 = Co+2 - -llnl_gamma 6.0000 +Co+2 = Co+2 + -llnl_gamma 6 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Co+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Co+2 # Enthalpy of formation: -13.9 kcal/mol -CrO4-2 = CrO4-2 - -llnl_gamma 4.0000 +CrO4-2 = CrO4-2 + -llnl_gamma 4 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction CrO4-2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction CrO4-2 # Enthalpy of formation: -210.6 kcal/mol -Cs+ = Cs+ - -llnl_gamma 2.5000 +Cs+ = Cs+ + -llnl_gamma 2.5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Cs+ + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Cs+ # Enthalpy of formation: -61.67 kcal/mol -Cu+2 = Cu+2 - -llnl_gamma 6.0000 +Cu+2 = Cu+2 + -llnl_gamma 6 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Cu+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Cu+2 # Enthalpy of formation: 15.7 kcal/mol -Dy+3 = Dy+3 - -llnl_gamma 5.0000 +Dy+3 = Dy+3 + -llnl_gamma 5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Dy+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Dy+3 # Enthalpy of formation: -166.5 kcal/mol -e- = e- +e- = e- log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction e- + -delta_H 0 kJ/mol # Calculated enthalpy of reaction e- # Enthalpy of formation: -0 kJ/mol -Er+3 = Er+3 - -llnl_gamma 5.0000 +Er+3 = Er+3 + -llnl_gamma 5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Er+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Er+3 # Enthalpy of formation: -168.5 kcal/mol -Ethylene = Ethylene - -llnl_gamma 3.0000 +Ethylene = Ethylene + -llnl_gamma 3 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ethylene + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ethylene # Enthalpy of formation: 8.57 kcal/mol -Eu+3 = Eu+3 - -llnl_gamma 5.0000 +Eu+3 = Eu+3 + -llnl_gamma 5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Eu+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Eu+3 # Enthalpy of formation: -144.7 kcal/mol -F- = F- - -llnl_gamma 3.5000 +F- = F- + -llnl_gamma 3.5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction F- + -delta_H 0 kJ/mol # Calculated enthalpy of reaction F- # Enthalpy of formation: -80.15 kcal/mol -Fe+2 = Fe+2 - -llnl_gamma 6.0000 +Fe+2 = Fe+2 + -llnl_gamma 6 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Fe+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Fe+2 # Enthalpy of formation: -22.05 kcal/mol -Ga+3 = Ga+3 - -llnl_gamma 5.0000 +Ga+3 = Ga+3 + -llnl_gamma 5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ga+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ga+3 # Enthalpy of formation: -50.6 kcal/mol -Gd+3 = Gd+3 - -llnl_gamma 5.0000 +Gd+3 = Gd+3 + -llnl_gamma 5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Gd+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Gd+3 # Enthalpy of formation: -164.2 kcal/mol -H+ = H+ - -llnl_gamma 9.0000 +H+ = H+ + -llnl_gamma 9 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction H+ + -delta_H 0 kJ/mol # Calculated enthalpy of reaction H+ # Enthalpy of formation: -0 kJ/mol -He = He - -llnl_gamma 3.0000 +He = He + -llnl_gamma 3 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction He + -delta_H 0 kJ/mol # Calculated enthalpy of reaction He # Enthalpy of formation: -0.15 kcal/mol -H2AsO4- = H2AsO4- - -llnl_gamma 4.0000 +H2AsO4- = H2AsO4- + -llnl_gamma 4 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction H2AsO4- + -delta_H 0 kJ/mol # Calculated enthalpy of reaction H2AsO4- # Enthalpy of formation: -217.39 kcal/mol -HCO3- = HCO3- - -llnl_gamma 4.0000 +HCO3- = HCO3- + -llnl_gamma 4 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction HCO3- + -delta_H 0 kJ/mol # Calculated enthalpy of reaction HCO3- # Enthalpy of formation: -164.898 kcal/mol -HPO4-2 = HPO4-2 - -llnl_gamma 4.0000 +HPO4-2 = HPO4-2 + -llnl_gamma 4 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction HPO4-2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction HPO4-2 # Enthalpy of formation: -308.815 kcal/mol -Hf+4 = Hf+4 +Hf+4 = Hf+4 log_k 0 - -delta_H 0 # Not possible to calculate enthalpy of reaction Hf+4 + -delta_H 0 # Not possible to calculate enthalpy of reaction Hf+4 # Enthalpy of formation: -0 kcal/mol -Hg+2 = Hg+2 - -llnl_gamma 5.0000 +Hg+2 = Hg+2 + -llnl_gamma 5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Hg+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Hg+2 # Enthalpy of formation: 40.67 kcal/mol -Ho+3 = Ho+3 - -llnl_gamma 5.0000 +Ho+3 = Ho+3 + -llnl_gamma 5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ho+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ho+3 # Enthalpy of formation: -169 kcal/mol -I- = I- - -llnl_gamma 3.0000 +I- = I- + -llnl_gamma 3 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction I- + -delta_H 0 kJ/mol # Calculated enthalpy of reaction I- # Enthalpy of formation: -13.6 kcal/mol -In+3 = In+3 - -llnl_gamma 9.0000 +In+3 = In+3 + -llnl_gamma 9 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction In+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction In+3 # Enthalpy of formation: -25 kcal/mol -K+ = K+ - -llnl_gamma 3.0000 +K+ = K+ + -llnl_gamma 3 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction K+ + -delta_H 0 kJ/mol # Calculated enthalpy of reaction K+ # Enthalpy of formation: -60.27 kcal/mol -Kr = Kr - -llnl_gamma 3.0000 +Kr = Kr + -llnl_gamma 3 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Kr + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Kr # Enthalpy of formation: -3.65 kcal/mol -La+3 = La+3 - -llnl_gamma 9.0000 +La+3 = La+3 + -llnl_gamma 9 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction La+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction La+3 # Enthalpy of formation: -169.6 kcal/mol -Li+ = Li+ - -llnl_gamma 6.0000 +Li+ = Li+ + -llnl_gamma 6 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Li+ + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Li+ # Enthalpy of formation: -66.552 kcal/mol -Lu+3 = Lu+3 - -llnl_gamma 5.0000 +Lu+3 = Lu+3 + -llnl_gamma 5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Lu+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Lu+3 # Enthalpy of formation: -167.9 kcal/mol -Mg+2 = Mg+2 - -llnl_gamma 8.0000 +Mg+2 = Mg+2 + -llnl_gamma 8 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Mg+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Mg+2 # Enthalpy of formation: -111.367 kcal/mol -Mn+2 = Mn+2 - -llnl_gamma 6.0000 +Mn+2 = Mn+2 + -llnl_gamma 6 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Mn+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Mn+2 # Enthalpy of formation: -52.724 kcal/mol -MoO4-2 = MoO4-2 - -llnl_gamma 4.5000 +MoO4-2 = MoO4-2 + -llnl_gamma 4.5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction MoO4-2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction MoO4-2 # Enthalpy of formation: -238.5 kcal/mol -NH3 = NH3 - -llnl_gamma 3.0000 +NH3 = NH3 + -llnl_gamma 3 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction NH3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction NH3 # Enthalpy of formation: -19.44 kcal/mol -Na+ = Na+ - -llnl_gamma 4.0000 +Na+ = Na+ + -llnl_gamma 4 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Na+ + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Na+ # Enthalpy of formation: -57.433 kcal/mol -Nd+3 = Nd+3 - -llnl_gamma 9.0000 +Nd+3 = Nd+3 + -llnl_gamma 9 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Nd+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Nd+3 # Enthalpy of formation: -166.5 kcal/mol -Ne = Ne - -llnl_gamma 3.0000 +Ne = Ne + -llnl_gamma 3 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ne + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ne # Enthalpy of formation: -0.87 kcal/mol -Ni+2 = Ni+2 - -llnl_gamma 6.0000 +Ni+2 = Ni+2 + -llnl_gamma 6 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ni+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ni+2 # Enthalpy of formation: -12.9 kcal/mol -Np+4 = Np+4 - -llnl_gamma 5.5000 +Np+4 = Np+4 + -llnl_gamma 5.5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Np+4 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Np+4 # Enthalpy of formation: -556.001 kJ/mol -H2O = H2O - -llnl_gamma 3.0000 - log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction H2O +H2O = H2O + -llnl_gamma 3 + log_k 0 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction H2O # Enthalpy of formation: -68.317 kcal/mol -O_phthalate-2 = O_phthalate-2 - -llnl_gamma 4.0000 +O_phthalate-2 = O_phthalate-2 + -llnl_gamma 4 log_k 0 - -delta_H 0 # Not possible to calculate enthalpy of reaction O_phthalate-2 + -delta_H 0 # Not possible to calculate enthalpy of reaction O_phthalate-2 # Enthalpy of formation: -0 kcal/mol -Pb+2 = Pb+2 - -llnl_gamma 4.5000 +Pb+2 = Pb+2 + -llnl_gamma 4.5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Pb+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Pb+2 # Enthalpy of formation: 0.22 kcal/mol -Pd+2 = Pd+2 - -llnl_gamma 4.5000 +Pd+2 = Pd+2 + -llnl_gamma 4.5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Pd+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Pd+2 # Enthalpy of formation: 42.08 kcal/mol -Pm+3 = Pm+3 +Pm+3 = Pm+3 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Pm+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Pm+3 # Enthalpy of formation: -688 kJ/mol -Pr+3 = Pr+3 - -llnl_gamma 9.0000 +Pr+3 = Pr+3 + -llnl_gamma 9 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Pr+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Pr+3 # Enthalpy of formation: -168.8 kcal/mol -Pu+4 = Pu+4 - -llnl_gamma 5.5000 +Pu+4 = Pu+4 + -llnl_gamma 5.5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Pu+4 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Pu+4 # Enthalpy of formation: -535.893 kJ/mol -Ra+2 = Ra+2 - -llnl_gamma 5.0000 +Ra+2 = Ra+2 + -llnl_gamma 5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ra+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ra+2 # Enthalpy of formation: -126.1 kcal/mol -Rb+ = Rb+ - -llnl_gamma 2.5000 +Rb+ = Rb+ + -llnl_gamma 2.5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Rb+ + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Rb+ # Enthalpy of formation: -60.02 kcal/mol -ReO4- = ReO4- - -llnl_gamma 4.0000 +ReO4- = ReO4- + -llnl_gamma 4 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction ReO4- + -delta_H 0 kJ/mol # Calculated enthalpy of reaction ReO4- # Enthalpy of formation: -188.2 kcal/mol -Rn = Rn - -llnl_gamma 3.0000 +Rn = Rn + -llnl_gamma 3 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Rn + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Rn # Enthalpy of formation: -5 kcal/mol -RuO4-2 = RuO4-2 - -llnl_gamma 4.0000 +RuO4-2 = RuO4-2 + -llnl_gamma 4 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction RuO4-2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction RuO4-2 # Enthalpy of formation: -457.075 kJ/mol -SO4-2 = SO4-2 - -llnl_gamma 4.0000 +SO4-2 = SO4-2 + -llnl_gamma 4 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction SO4-2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction SO4-2 # Enthalpy of formation: -217.4 kcal/mol -Sb(OH)3 = Sb(OH)3 - -llnl_gamma 3.0000 +Sb(OH)3 = Sb(OH)3 + -llnl_gamma 3 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Sb(OH)3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Sb(OH)3 # Enthalpy of formation: -773.789 kJ/mol -Sc+3 = Sc+3 - -llnl_gamma 9.0000 +Sc+3 = Sc+3 + -llnl_gamma 9 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Sc+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Sc+3 # Enthalpy of formation: -146.8 kcal/mol -SeO3-2 = SeO3-2 - -llnl_gamma 4.0000 +SeO3-2 = SeO3-2 + -llnl_gamma 4 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction SeO3-2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction SeO3-2 # Enthalpy of formation: -121.7 kcal/mol -SiO2 = SiO2 - -llnl_gamma 3.0000 +SiO2 = SiO2 + -llnl_gamma 3 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction SiO2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction SiO2 # Enthalpy of formation: -209.775 kcal/mol -Sm+3 = Sm+3 - -llnl_gamma 9.0000 +Sm+3 = Sm+3 + -llnl_gamma 9 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Sm+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Sm+3 # Enthalpy of formation: -165.2 kcal/mol -Sn+2 = Sn+2 - -llnl_gamma 6.0000 +Sn+2 = Sn+2 + -llnl_gamma 6 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Sn+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Sn+2 # Enthalpy of formation: -2.1 kcal/mol -Sr+2 = Sr+2 - -llnl_gamma 5.0000 +Sr+2 = Sr+2 + -llnl_gamma 5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Sr+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Sr+2 # Enthalpy of formation: -131.67 kcal/mol -Tb+3 = Tb+3 - -llnl_gamma 5.0000 +Tb+3 = Tb+3 + -llnl_gamma 5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Tb+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Tb+3 # Enthalpy of formation: -166.9 kcal/mol -TcO4- = TcO4- - -llnl_gamma 4.0000 +TcO4- = TcO4- + -llnl_gamma 4 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction TcO4- + -delta_H 0 kJ/mol # Calculated enthalpy of reaction TcO4- # Enthalpy of formation: -716.269 kJ/mol -Th+4 = Th+4 - -llnl_gamma 11.0000 +Th+4 = Th+4 + -llnl_gamma 11 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Th+4 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Th+4 # Enthalpy of formation: -183.8 kcal/mol -Ti(OH)4 = Ti(OH)4 - -llnl_gamma 3.0000 +Ti(OH)4 = Ti(OH)4 + -llnl_gamma 3 log_k 0 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ti(OH)4 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ti(OH)4 # Enthalpy of formation: -0 kcal/mol -Tl+ = Tl+ - -llnl_gamma 2.5000 +Tl+ = Tl+ + -llnl_gamma 2.5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Tl+ + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Tl+ # Enthalpy of formation: 1.28 kcal/mol -Tm+3 = Tm+3 - -llnl_gamma 5.0000 +Tm+3 = Tm+3 + -llnl_gamma 5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Tm+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Tm+3 # Enthalpy of formation: -168.5 kcal/mol -UO2+2 = UO2+2 - -llnl_gamma 4.5000 +UO2+2 = UO2+2 + -llnl_gamma 4.5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction UO2+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction UO2+2 # Enthalpy of formation: -1019 kJ/mol -VO+2 = VO+2 - -llnl_gamma 4.5000 +VO+2 = VO+2 + -llnl_gamma 4.5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction VO+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction VO+2 # Enthalpy of formation: -116.3 kcal/mol -WO4-2 = WO4-2 - -llnl_gamma 5.0000 +WO4-2 = WO4-2 + -llnl_gamma 5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction WO4-2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction WO4-2 # Enthalpy of formation: -257.1 kcal/mol -Xe = Xe - -llnl_gamma 3.0000 +Xe = Xe + -llnl_gamma 3 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Xe + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Xe # Enthalpy of formation: -4.51 kcal/mol -Y+3 = Y+3 - -llnl_gamma 9.0000 +Y+3 = Y+3 + -llnl_gamma 9 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Y+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Y+3 # Enthalpy of formation: -170.9 kcal/mol -Yb+3 = Yb+3 - -llnl_gamma 5.0000 +Yb+3 = Yb+3 + -llnl_gamma 5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Yb+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Yb+3 # Enthalpy of formation: -160.3 kcal/mol -Zn+2 = Zn+2 - -llnl_gamma 6.0000 +Zn+2 = Zn+2 + -llnl_gamma 6 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Zn+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Zn+2 # Enthalpy of formation: -36.66 kcal/mol -Zr(OH)2+2 = Zr(OH)2+2 - -llnl_gamma 4.5000 +Zr(OH)2+2 = Zr(OH)2+2 + -llnl_gamma 4.5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Zr(OH)2+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Zr(OH)2+2 # Enthalpy of formation: -260.717 kcal/mol -2H2O = O2 + 4H+ + 4e- +2 H2O = O2 + 4 H+ + 4 e- -CO2_llnl_gamma - log_k -85.9951 - -delta_H 559.543 kJ/mol # Calculated enthalpy of reaction O2 + log_k -85.9951 + -delta_H 559.543 kJ/mol # Calculated enthalpy of reaction O2 # Enthalpy of formation: -2.9 kcal/mol - -analytic 38.0229 7.99407E-03 -2.7655e+004 -1.4506e+001 199838.45 + -analytic 38.0229 7.99407E-3 -2.7655e+4 -1.4506e+1 199838.45 # Range: 0-300 - 1.0000 SO4-- + 1.0000 H+ = HS- +2.0000 O2 - -llnl_gamma 3.5 - log_k -138.3169 - -delta_H 869.226 kJ/mol # Calculated enthalpy of reaction HS- + SO4-2 + H+ = HS- + 2 O2 + -llnl_gamma 3.5 + log_k -138.3169 + -delta_H 869.226 kJ/mol # Calculated enthalpy of reaction HS- # Enthalpy of formation: -3.85 kcal/mol - -analytic 2.6251e+001 3.9525e-002 -4.5443e+004 -1.1107e+001 3.1843e+005 + -analytic 2.6251e+1 3.9525e-2 -4.5443e+4 -1.1107e+1 3.1843e+5 # -Range: 0-300 - .5000 O2 + 2.0000 HS- = S2-- + H2O + .5 O2 + 2 HS- = S2-2 + H2O #2 HS- = S2-- +2 H+ + 2e- - -llnl_gamma 4.0 - log_k 33.2673 - -delta_H 0 # Not possible to calculate enthalpy of reaction S2-2 + -llnl_gamma 4 + log_k 33.2673 + -delta_H 0 # Not possible to calculate enthalpy of reaction S2-2 # Enthalpy of formation: -0 kcal/mol - -analytic 0.21730E+02 -0.12307E-02 0.10098E+05 -0.88813E+01 0.15757E+03 - -mass_balance S(-2)2 + -analytic 0.2173E+2 -0.12307E-2 0.10098E+5 -0.88813E+1 0.15757E+3 + -mass_balance S(-2)2 # -Range: 0-300 # -add_logk Log_K_O2 0.5 -2.0000 H+ + 2.0000 SO3-- = S2O3-- + O2 + H2O - -llnl_gamma 4.0 - log_k -40.2906 - -delta_H 0 # Not possible to calculate enthalpy of reaction S2O3-2 +2 H+ + 2 SO3-2 = S2O3-2 + O2 + H2O + -llnl_gamma 4 + log_k -40.2906 + -delta_H 0 # Not possible to calculate enthalpy of reaction S2O3-2 # Enthalpy of formation: -0 kcal/mol - -analytic 0.77679E+02 0.65761E-01 -0.15438E+05 -0.34651E+02 -0.24092E+03 + -analytic 0.77679E+2 0.65761E-1 -0.15438E+5 -0.34651E+2 -0.24092E+3 # -Range: 0-300 - 1.0000 H+ + 1.0000 Ag+ + 0.2500 O2 = Ag++ +0.5000 H2O - -llnl_gamma 4.5 - log_k -12.1244 - -delta_H 22.9764 kJ/mol # Calculated enthalpy of reaction Ag+2 + H+ + Ag+ + 0.25 O2 = Ag+2 + 0.5 H2O + -llnl_gamma 4.5 + log_k -12.1244 + -delta_H 22.9764 kJ/mol # Calculated enthalpy of reaction Ag+2 # Enthalpy of formation: 64.2 kcal/mol - -analytic -4.7312e+001 -1.5239e-002 -4.1954e+002 1.6622e+001 -6.5328e+000 + -analytic -4.7312e+1 -1.5239e-2 -4.1954e+2 1.6622e+1 -6.5328e+0 # -Range: 0-300 - 1.0000 Am+++ + 0.5000 H2O = Am++ +1.0000 H+ +0.2500 O2 - -llnl_gamma 4.5 - log_k -60.3792 - -delta_H 401.953 kJ/mol # Calculated enthalpy of reaction Am+2 + Am+3 + 0.5 H2O = Am+2 + H+ + 0.25 O2 + -llnl_gamma 4.5 + log_k -60.3792 + -delta_H 401.953 kJ/mol # Calculated enthalpy of reaction Am+2 # Enthalpy of formation: -354.633 kJ/mol - -analytic 1.4922e+001 3.5993e-003 -2.0987e+004 -2.4146e+000 -3.2749e+002 + -analytic 1.4922e+1 3.5993e-3 -2.0987e+4 -2.4146e+0 -3.2749e+2 # -Range: 0-300 - 1.0000 H+ + 1.0000 Am+++ + 0.2500 O2 = Am++++ +0.5000 H2O - -llnl_gamma 5.5 - log_k -22.7073 - -delta_H 70.8142 kJ/mol # Calculated enthalpy of reaction Am+4 + H+ + Am+3 + 0.25 O2 = Am+4 + 0.5 H2O + -llnl_gamma 5.5 + log_k -22.7073 + -delta_H 70.8142 kJ/mol # Calculated enthalpy of reaction Am+4 # Enthalpy of formation: -406 kJ/mol - -analytic -1.7460e+001 -2.2336e-003 -3.5139e+003 2.9102e+000 -5.4826e+001 + -analytic -1.746e+1 -2.2336e-3 -3.5139e+3 2.9102e+0 -5.4826e+1 # -Range: 0-300 - 1.0000 H2O + 1.0000 Am+++ + 0.5000 O2 = AmO2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -15.384 - -delta_H 104.345 kJ/mol # Calculated enthalpy of reaction AmO2+ + H2O + Am+3 + 0.5 O2 = AmO2+ + 2 H+ + -llnl_gamma 4 + log_k -15.384 + -delta_H 104.345 kJ/mol # Calculated enthalpy of reaction AmO2+ # Enthalpy of formation: -804.26 kJ/mol - -analytic 1.4110e+001 6.9728e-003 -4.2098e+003 -6.0936e+000 -2.1192e+005 + -analytic 1.411e+1 6.9728e-3 -4.2098e+3 -6.0936e+0 -2.1192e+5 # -Range: 0-300 - 1.0000 Am+++ + 0.7500 O2 + 0.5000 H2O = AmO2++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -20.862 - -delta_H 117.959 kJ/mol # Calculated enthalpy of reaction AmO2+2 + Am+3 + 0.75 O2 + 0.5 H2O = AmO2+2 + H+ + -llnl_gamma 4.5 + log_k -20.862 + -delta_H 117.959 kJ/mol # Calculated enthalpy of reaction AmO2+2 # Enthalpy of formation: -650.76 kJ/mol - -analytic 5.7163e+001 4.0278e-003 -8.4633e+003 -2.0550e+001 -1.3208e+002 + -analytic 5.7163e+1 4.0278e-3 -8.4633e+3 -2.055e+1 -1.3208e+2 # -Range: 0-300 - 1.0000 H2AsO4- + 1.0000 H+ = AsH3 +2.0000 O2 - -llnl_gamma 3.0 - log_k -155.1907 - -delta_H 931.183 kJ/mol # Calculated enthalpy of reaction AsH3 + H2AsO4- + H+ = AsH3 + 2 O2 + -llnl_gamma 3 + log_k -155.1907 + -delta_H 931.183 kJ/mol # Calculated enthalpy of reaction AsH3 # Enthalpy of formation: 10.968 kcal/mol - -analytic 2.8310e+002 9.6961e-002 -5.4830e+004 -1.1449e+002 -9.3119e+002 + -analytic 2.831e+2 9.6961e-2 -5.483e+4 -1.1449e+2 -9.3119e+2 # -Range: 0-200 - 2.0000 H+ + 1.0000 Au+ + 0.5000 O2 = Au+++ +1.0000 H2O - -llnl_gamma 5.0 - log_k -4.3506 - -delta_H -73.2911 kJ/mol # Calculated enthalpy of reaction Au+3 + 2 H+ + Au+ + 0.5 O2 = Au+3 + H2O + -llnl_gamma 5 + log_k -4.3506 + -delta_H -73.2911 kJ/mol # Calculated enthalpy of reaction Au+3 # Enthalpy of formation: 96.93 kcal/mol - -analytic -6.8661e+001 -2.6838e-002 4.4549e+003 2.3178e+001 6.9534e+001 + -analytic -6.8661e+1 -2.6838e-2 4.4549e+3 2.3178e+1 6.9534e+1 # -Range: 0-300 - 1.0000 H2O + 1.0000 B(OH)3 = BH4- +2.0000 O2 +1.0000 H+ - -llnl_gamma 4.0 - log_k -237.1028 - -delta_H 1384.24 kJ/mol # Calculated enthalpy of reaction BH4- + H2O + B(OH)3 = BH4- + 2 O2 + H+ + -llnl_gamma 4 + log_k -237.1028 + -delta_H 1384.24 kJ/mol # Calculated enthalpy of reaction BH4- # Enthalpy of formation: 48.131 kJ/mol - -analytic -7.4930e+001 -7.2794e-003 -6.9168e+004 2.9105e+001 -1.0793e+003 + -analytic -7.493e+1 -7.2794e-3 -6.9168e+4 2.9105e+1 -1.0793e+3 # -Range: 0-300 - 3.0000 Br- + 2.0000 H+ + 0.5000 O2 = Br3- +1.0000 H2O - -llnl_gamma 4.0 - log_k +7.0696 - -delta_H -45.6767 kJ/mol # Calculated enthalpy of reaction Br3- + 3 Br- + 2 H+ + 0.5 O2 = Br3- + H2O + -llnl_gamma 4 + log_k 7.0696 + -delta_H -45.6767 kJ/mol # Calculated enthalpy of reaction Br3- # Enthalpy of formation: -31.17 kcal/mol - -analytic 1.4899e+002 6.4017e-002 -3.3831e+002 -6.4596e+001 -5.3232e+000 + -analytic 1.4899e+2 6.4017e-2 -3.3831e+2 -6.4596e+1 -5.3232e+0 # -Range: 0-300 - 1.0000 Br- + 0.5000 O2 = BrO- - -llnl_gamma 4.0 - log_k -10.9167 - -delta_H 33.4302 kJ/mol # Calculated enthalpy of reaction BrO- + Br- + 0.5 O2 = BrO- + -llnl_gamma 4 + log_k -10.9167 + -delta_H 33.4302 kJ/mol # Calculated enthalpy of reaction BrO- # Enthalpy of formation: -22.5 kcal/mol - -analytic 5.4335e+001 1.9509e-003 -4.2860e+003 -2.0799e+001 -6.6896e+001 + -analytic 5.4335e+1 1.9509e-3 -4.286e+3 -2.0799e+1 -6.6896e+1 # -Range: 0-300 - 1.5000 O2 + 1.0000 Br- = BrO3- - -llnl_gamma 3.5 - log_k -17.1443 - -delta_H 72.6342 kJ/mol # Calculated enthalpy of reaction BrO3- + 1.5 O2 + Br- = BrO3- + -llnl_gamma 3.5 + log_k -17.1443 + -delta_H 72.6342 kJ/mol # Calculated enthalpy of reaction BrO3- # Enthalpy of formation: -16.03 kcal/mol - -analytic 3.7156e+001 -4.7855e-003 -4.6208e+003 -1.4136e+001 -2.1385e+005 + -analytic 3.7156e+1 -4.7855e-3 -4.6208e+3 -1.4136e+1 -2.1385e+5 # -Range: 0-300 - 2.0000 O2 + 1.0000 Br- = BrO4- - -llnl_gamma 4.0 - log_k -33.104 - -delta_H 158.741 kJ/mol # Calculated enthalpy of reaction BrO4- + 2 O2 + Br- = BrO4- + -llnl_gamma 4 + log_k -33.104 + -delta_H 158.741 kJ/mol # Calculated enthalpy of reaction BrO4- # Enthalpy of formation: 3.1 kcal/mol - -analytic 8.1393e+001 -2.3409e-003 -1.2290e+004 -2.9336e+001 -1.9180e+002 + -analytic 8.1393e+1 -2.3409e-3 -1.229e+4 -2.9336e+1 -1.918e+2 # -Range: 0-300 -# 1.0000 NH3 + 1.0000 HCO3- = CN- +2.0000 H2O +0.5000 O2 -# -llnl_gamma 3.0 +# 1.0000 NH3 + 1.0000 HCO3- = CN- +2.0000 H2O +0.5000 O2 +# -llnl_gamma 3.0 # log_k -56.0505 # -delta_H 344.151 kJ/mol # Calculated enthalpy of reaction CN- # # Enthalpy of formation: 36 kcal/mol @@ -845,493 +849,493 @@ Zr(OH)2+2 = Zr(OH)2+2 # # -Range: 0-300 Cyanide- = Cyanide- - log_k 0 + log_k 0 - H+ + HCO3- + H2O = CH4 + 2.0000 O2 - -llnl_gamma 3.0 - log_k -144.1412 - -delta_H 863.599 kJ/mol # Calculated enthalpy of reaction CH4 + H+ + HCO3- + H2O = CH4 + 2 O2 + -llnl_gamma 3 + log_k -144.1412 + -delta_H 863.599 kJ/mol # Calculated enthalpy of reaction CH4 # Enthalpy of formation: -21.01 kcal/mol - -analytic -0.41698E+02 0.36584E-01 -0.40675E+05 0.93479E+01 -0.63468E+03 + -analytic -0.41698E+2 0.36584E-1 -0.40675E+5 0.93479E+1 -0.63468E+3 # -Range: 0-300 - 2.0000 H+ + 2.0000 HCO3- + H2O = C2H6 + 3.5000 O2 - -llnl_gamma 3.0 - log_k -228.6072 - -delta_H 0 # Not possible to calculate enthalpy of reaction C2H6 + 2 H+ + 2 HCO3- + H2O = C2H6 + 3.5 O2 + -llnl_gamma 3 + log_k -228.6072 + -delta_H 0 # Not possible to calculate enthalpy of reaction C2H6 # Enthalpy of formation: -0 kcal/mol - -analytic -0.10777E+02 0.72105E-01 -0.67489E+05 -0.13915E+02 -0.10531E+04 + -analytic -0.10777E+2 0.72105E-1 -0.67489E+5 -0.13915E+2 -0.10531E+4 # -Range: 0-300 - 2.000 H+ + 2.0000 HCO3- = C2H4 + 3.0000 O2 - -llnl_gamma 3.0 - log_k -254.5034 - -delta_H 1446.6 kJ/mol # Calculated enthalpy of reaction C2H4 + 2 H+ + 2 HCO3- = C2H4 + 3 O2 + -llnl_gamma 3 + log_k -254.5034 + -delta_H 1446.6 kJ/mol # Calculated enthalpy of reaction C2H4 # Enthalpy of formation: 24.65 kcal/mol - -analytic -0.30329E+02 0.71187E-01 -0.73140E+05 0.00000E+00 0.00000E+00 + -analytic -0.30329E+2 0.71187E-1 -0.7314E+5 0E+0 0E+0 # -Range: 0-300 - 1.0000 HCO3- + 1.0000 H+ = CO +1.0000 H2O +0.5000 O2 - -llnl_gamma 3.0 - log_k -41.7002 - -delta_H 277.069 kJ/mol # Calculated enthalpy of reaction CO + HCO3- + H+ = CO + H2O + 0.5 O2 + -llnl_gamma 3 + log_k -41.7002 + -delta_H 277.069 kJ/mol # Calculated enthalpy of reaction CO # Enthalpy of formation: -28.91 kcal/mol - -analytic 1.0028e+002 4.6877e-002 -1.8062e+004 -4.0263e+001 3.8031e+005 + -analytic 1.0028e+2 4.6877e-2 -1.8062e+4 -4.0263e+1 3.8031e+5 # -Range: 0-300 - 1.0000 Ce+++ + 0.5000 H2O = Ce++ +1.0000 H+ +0.2500 O2 - -llnl_gamma 4.5 - log_k -83.6754 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ce+2 + Ce+3 + 0.5 H2O = Ce+2 + H+ + 0.25 O2 + -llnl_gamma 4.5 + log_k -83.6754 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ce+2 # Enthalpy of formation: -0 kcal/mol - - 1.0000 H+ + 1.0000 Ce+++ + 0.2500 O2 = Ce++++ +0.5000 H2O - -llnl_gamma 5.5 - log_k -7.9154 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ce+4 + + H+ + Ce+3 + 0.25 O2 = Ce+4 + 0.5 H2O + -llnl_gamma 5.5 + log_k -7.9154 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ce+4 # Enthalpy of formation: -0 kcal/mol - - 1.0000 Cl- + 0.5000 O2 = ClO- - -llnl_gamma 4.0 - log_k -15.1014 - -delta_H 66.0361 kJ/mol # Calculated enthalpy of reaction ClO- + + Cl- + 0.5 O2 = ClO- + -llnl_gamma 4 + log_k -15.1014 + -delta_H 66.0361 kJ/mol # Calculated enthalpy of reaction ClO- # Enthalpy of formation: -25.6 kcal/mol - -analytic 6.1314e+001 3.4812e-003 -6.0952e+003 -2.3043e+001 -9.5128e+001 + -analytic 6.1314e+1 3.4812e-3 -6.0952e+3 -2.3043e+1 -9.5128e+1 # -Range: 0-300 - 1.0000 O2 + 1.0000 Cl- = ClO2- - -llnl_gamma 4.0 - log_k -23.108 - -delta_H 112.688 kJ/mol # Calculated enthalpy of reaction ClO2- + O2 + Cl- = ClO2- + -llnl_gamma 4 + log_k -23.108 + -delta_H 112.688 kJ/mol # Calculated enthalpy of reaction ClO2- # Enthalpy of formation: -15.9 kcal/mol - -analytic 3.3638e+000 -6.1675e-003 -4.9726e+003 -2.0467e+000 -2.5769e+005 + -analytic 3.3638e+0 -6.1675e-3 -4.9726e+3 -2.0467e+0 -2.5769e+5 # -Range: 0-300 - 1.5000 O2 + 1.0000 Cl- = ClO3- - -llnl_gamma 3.5 - log_k -17.2608 - -delta_H 81.3077 kJ/mol # Calculated enthalpy of reaction ClO3- + 1.5 O2 + Cl- = ClO3- + -llnl_gamma 3.5 + log_k -17.2608 + -delta_H 81.3077 kJ/mol # Calculated enthalpy of reaction ClO3- # Enthalpy of formation: -24.85 kcal/mol - -analytic 2.8852e+001 -4.8281e-003 -4.6779e+003 -1.0772e+001 -2.0783e+005 + -analytic 2.8852e+1 -4.8281e-3 -4.6779e+3 -1.0772e+1 -2.0783e+5 # -Range: 0-300 - 2.0000 O2 + 1.0000 Cl- = ClO4- - -llnl_gamma 3.5 - log_k -15.7091 - -delta_H 62.0194 kJ/mol # Calculated enthalpy of reaction ClO4- + 2 O2 + Cl- = ClO4- + -llnl_gamma 3.5 + log_k -15.7091 + -delta_H 62.0194 kJ/mol # Calculated enthalpy of reaction ClO4- # Enthalpy of formation: -30.91 kcal/mol - -analytic 7.0280e+001 -6.8927e-005 -5.5690e+003 -2.6446e+001 -1.6596e+005 + -analytic 7.028e+1 -6.8927e-5 -5.569e+3 -2.6446e+1 -1.6596e+5 # -Range: 0-300 - 1.0000 H+ + 1.0000 Co++ + 0.2500 O2 = Co+++ +0.5000 H2O - -llnl_gamma 5.0 - log_k -11.4845 - -delta_H 10.3198 kJ/mol # Calculated enthalpy of reaction Co+3 + H+ + Co+2 + 0.25 O2 = Co+3 + 0.5 H2O + -llnl_gamma 5 + log_k -11.4845 + -delta_H 10.3198 kJ/mol # Calculated enthalpy of reaction Co+3 # Enthalpy of formation: 22 kcal/mol - -analytic -2.2827e+001 -1.2222e-002 -7.2117e+002 7.0306e+000 -1.1247e+001 + -analytic -2.2827e+1 -1.2222e-2 -7.2117e+2 7.0306e+0 -1.1247e+1 # -Range: 0-300 - 4.0000 H+ + 1.0000 CrO4-- = Cr++ +2.0000 H2O +1.0000 O2 - -llnl_gamma 4.5 - log_k -21.6373 - -delta_H 153.829 kJ/mol # Calculated enthalpy of reaction Cr+2 + 4 H+ + CrO4-2 = Cr+2 + 2 H2O + O2 + -llnl_gamma 4.5 + log_k -21.6373 + -delta_H 153.829 kJ/mol # Calculated enthalpy of reaction Cr+2 # Enthalpy of formation: -34.3 kcal/mol - -analytic 6.9003e+001 6.2884e-002 -6.9847e+003 -3.4720e+001 -1.0901e+002 + -analytic 6.9003e+1 6.2884e-2 -6.9847e+3 -3.472e+1 -1.0901e+2 # -Range: 0-300 - 5.0000 H+ + 1.0000 CrO4-- = Cr+++ +2.5000 H2O +0.7500 O2 - -llnl_gamma 9.0 - log_k +8.3842 - -delta_H -81.0336 kJ/mol # Calculated enthalpy of reaction Cr+3 + 5 H+ + CrO4-2 = Cr+3 + 2.5 H2O + 0.75 O2 + -llnl_gamma 9 + log_k 8.3842 + -delta_H -81.0336 kJ/mol # Calculated enthalpy of reaction Cr+3 # Enthalpy of formation: -57 kcal/mol - -analytic 5.1963e+001 6.0932e-002 5.4256e+003 -3.2290e+001 8.4645e+001 + -analytic 5.1963e+1 6.0932e-2 5.4256e+3 -3.229e+1 8.4645e+1 # -Range: 0-300 - 0.5000 H2O + 1.0000 CrO4-- = CrO4--- +1.0000 H+ +0.2500 O2 - -llnl_gamma 4.0 - log_k -19.7709 - -delta_H 0 # Not possible to calculate enthalpy of reaction CrO4-3 + 0.5 H2O + CrO4-2 = CrO4-3 + H+ + 0.25 O2 + -llnl_gamma 4 + log_k -19.7709 + -delta_H 0 # Not possible to calculate enthalpy of reaction CrO4-3 # Enthalpy of formation: -0 kcal/mol - - 1.0000 Cu++ + 0.5000 H2O = Cu+ +1.0000 H+ +0.2500 O2 - -llnl_gamma 4.0 - log_k -18.7704 - -delta_H 145.877 kJ/mol # Calculated enthalpy of reaction Cu+ + + Cu+2 + 0.5 H2O = Cu+ + H+ + 0.25 O2 + -llnl_gamma 4 + log_k -18.7704 + -delta_H 145.877 kJ/mol # Calculated enthalpy of reaction Cu+ # Enthalpy of formation: 17.132 kcal/mol - -analytic 3.7909e+001 1.3731e-002 -8.1506e+003 -1.3508e+001 -1.2719e+002 + -analytic 3.7909e+1 1.3731e-2 -8.1506e+3 -1.3508e+1 -1.2719e+2 # -Range: 0-300 - 1.0000 Dy+++ + 0.5000 H2O = Dy++ +1.0000 H+ +0.2500 O2 - -llnl_gamma 4.5 - log_k -61.0754 - -delta_H 0 # Not possible to calculate enthalpy of reaction Dy+2 + Dy+3 + 0.5 H2O = Dy+2 + H+ + 0.25 O2 + -llnl_gamma 4.5 + log_k -61.0754 + -delta_H 0 # Not possible to calculate enthalpy of reaction Dy+2 # Enthalpy of formation: -0 kcal/mol - - 1.0000 Er+++ + 0.5000 H2O = Er++ +1.0000 H+ +0.2500 O2 - -llnl_gamma 4.5 - log_k -70.1754 - -delta_H 0 # Not possible to calculate enthalpy of reaction Er+2 + + Er+3 + 0.5 H2O = Er+2 + H+ + 0.25 O2 + -llnl_gamma 4.5 + log_k -70.1754 + -delta_H 0 # Not possible to calculate enthalpy of reaction Er+2 # Enthalpy of formation: -0 kcal/mol - - 1.0000 Eu+++ + 0.5000 H2O = Eu++ +1.0000 H+ +0.2500 O2 - -llnl_gamma 4.5 - log_k -27.5115 - -delta_H 217.708 kJ/mol # Calculated enthalpy of reaction Eu+2 + + Eu+3 + 0.5 H2O = Eu+2 + H+ + 0.25 O2 + -llnl_gamma 4.5 + log_k -27.5115 + -delta_H 217.708 kJ/mol # Calculated enthalpy of reaction Eu+2 # Enthalpy of formation: -126.1 kcal/mol - -analytic 3.0300e+001 1.4126e-002 -1.2319e+004 -9.0585e+000 1.5289e+005 + -analytic 3.03e+1 1.4126e-2 -1.2319e+4 -9.0585e+0 1.5289e+5 # -Range: 0-300 - 1.0000 H+ + 1.0000 Fe++ + 0.2500 O2 = Fe+++ +0.5000 H2O - -llnl_gamma 9.0 - log_k +8.4899 - -delta_H -97.209 kJ/mol # Calculated enthalpy of reaction Fe+3 + H+ + Fe+2 + 0.25 O2 = Fe+3 + 0.5 H2O + -llnl_gamma 9 + log_k 8.4899 + -delta_H -97.209 kJ/mol # Calculated enthalpy of reaction Fe+3 # Enthalpy of formation: -11.85 kcal/mol - -analytic -1.7808e+001 -1.1753e-002 4.7609e+003 5.5866e+000 7.4295e+001 + -analytic -1.7808e+1 -1.1753e-2 4.7609e+3 5.5866e+0 7.4295e+1 # -Range: 0-300 - 1.0000 Gd+++ + 0.5000 H2O = Gd++ +1.0000 H+ +0.2500 O2 - -llnl_gamma 4.5 - log_k -84.6754 - -delta_H 0 # Not possible to calculate enthalpy of reaction Gd+2 + Gd+3 + 0.5 H2O = Gd+2 + H+ + 0.25 O2 + -llnl_gamma 4.5 + log_k -84.6754 + -delta_H 0 # Not possible to calculate enthalpy of reaction Gd+2 # Enthalpy of formation: -0 kcal/mol - - 1.0000 H2O = H2 +0.5000 O2 + + H2O = H2 + 0.5 O2 -CO2_llnl_gamma - log_k -46.1066 - -delta_H 275.588 kJ/mol # Calculated enthalpy of reaction H2 + log_k -46.1066 + -delta_H 275.588 kJ/mol # Calculated enthalpy of reaction H2 # Enthalpy of formation: -1 kcal/mol - -analytic 6.6835e+001 1.7172e-002 -1.8849e+004 -2.4092e+001 4.2501e+005 + -analytic 6.6835e+1 1.7172e-2 -1.8849e+4 -2.4092e+1 4.2501e+5 # -Range: 0-300 - 1.0000 H2AsO4- = H2AsO3- +0.5000 O2 - -llnl_gamma 4.0 - log_k -30.5349 - -delta_H 188.698 kJ/mol # Calculated enthalpy of reaction H2AsO3- + H2AsO4- = H2AsO3- + 0.5 O2 + -llnl_gamma 4 + log_k -30.5349 + -delta_H 188.698 kJ/mol # Calculated enthalpy of reaction H2AsO3- # Enthalpy of formation: -170.84 kcal/mol - -analytic 7.4245e+001 1.4885e-002 -1.4218e+004 -2.6403e+001 3.3822e+005 + -analytic 7.4245e+1 1.4885e-2 -1.4218e+4 -2.6403e+1 3.3822e+5 # -Range: 0-300 - 1.0000 SO4-- + 1.0000 H+ + 0.5000 O2 = HSO5- - -llnl_gamma 4.0 - log_k -17.2865 - -delta_H 140.038 kJ/mol # Calculated enthalpy of reaction HSO5- + SO4-2 + H+ + 0.5 O2 = HSO5- + -llnl_gamma 4 + log_k -17.2865 + -delta_H 140.038 kJ/mol # Calculated enthalpy of reaction HSO5- # Enthalpy of formation: -185.38 kcal/mol - -analytic 5.9944e+001 3.0904e-002 -7.7494e+003 -2.4420e+001 -1.2094e+002 + -analytic 5.9944e+1 3.0904e-2 -7.7494e+3 -2.442e+1 -1.2094e+2 # -Range: 0-300 - 1.0000 SeO3-- + 1.0000 H+ = HSe- +1.5000 O2 - -llnl_gamma 4.0 - log_k -76.8418 - -delta_H 506.892 kJ/mol # Calculated enthalpy of reaction HSe- + SeO3-2 + H+ = HSe- + 1.5 O2 + -llnl_gamma 4 + log_k -76.8418 + -delta_H 506.892 kJ/mol # Calculated enthalpy of reaction HSe- # Enthalpy of formation: 3.8 kcal/mol - -analytic 4.7105e+001 4.3116e-002 -2.6949e+004 -1.9895e+001 2.5305e+005 + -analytic 4.7105e+1 4.3116e-2 -2.6949e+4 -1.9895e+1 2.5305e+5 # -Range: 0-300 - 2.0000 Hg++ + 1.0000 H2O = Hg2++ +2.0000 H+ +0.5000 O2 - -llnl_gamma 4.0 - log_k -12.208 - -delta_H 106.261 kJ/mol # Calculated enthalpy of reaction Hg2+2 + 2 Hg+2 + H2O = Hg2+2 + 2 H+ + 0.5 O2 + -llnl_gamma 4 + log_k -12.208 + -delta_H 106.261 kJ/mol # Calculated enthalpy of reaction Hg2+2 # Enthalpy of formation: 39.87 kcal/mol - -analytic 5.5010e+001 1.9050e-002 -4.7967e+003 -2.2952e+001 -7.4864e+001 + -analytic 5.501e+1 1.905e-2 -4.7967e+3 -2.2952e+1 -7.4864e+1 # -Range: 0-300 - 1.0000 Ho+++ + 0.5000 H2O = Ho++ +1.0000 H+ +0.2500 O2 - -llnl_gamma 4.5 - log_k -67.3754 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ho+2 + Ho+3 + 0.5 H2O = Ho+2 + H+ + 0.25 O2 + -llnl_gamma 4.5 + log_k -67.3754 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ho+2 # Enthalpy of formation: -0 kcal/mol - - 3.0000 I- + 2.0000 H+ + 0.5000 O2 = I3- +1.0000 H2O - -llnl_gamma 4.0 - log_k +24.7278 - -delta_H -160.528 kJ/mol # Calculated enthalpy of reaction I3- + + 3 I- + 2 H+ + 0.5 O2 = I3- + H2O + -llnl_gamma 4 + log_k 24.7278 + -delta_H -160.528 kJ/mol # Calculated enthalpy of reaction I3- # Enthalpy of formation: -12.3 kcal/mol - -analytic 1.4788e+002 6.6206e-002 5.7407e+003 -6.5517e+001 8.9535e+001 + -analytic 1.4788e+2 6.6206e-2 5.7407e+3 -6.5517e+1 8.9535e+1 # -Range: 0-300 - 1.0000 I- + 0.5000 O2 = IO- - -llnl_gamma 4.0 - log_k -0.9038 - -delta_H -44.5596 kJ/mol # Calculated enthalpy of reaction IO- + I- + 0.5 O2 = IO- + -llnl_gamma 4 + log_k -0.9038 + -delta_H -44.5596 kJ/mol # Calculated enthalpy of reaction IO- # Enthalpy of formation: -25.7 kcal/mol - -analytic 2.7568e+000 -5.5671e-003 3.2484e+003 -3.9065e+000 -2.8800e+005 + -analytic 2.7568e+0 -5.5671e-3 3.2484e+3 -3.9065e+0 -2.88e+5 # -Range: 0-300 - 1.5000 O2 + 1.0000 I- = IO3- - -llnl_gamma 4.0 - log_k +17.6809 - -delta_H -146.231 kJ/mol # Calculated enthalpy of reaction IO3- + 1.5 O2 + I- = IO3- + -llnl_gamma 4 + log_k 17.6809 + -delta_H -146.231 kJ/mol # Calculated enthalpy of reaction IO3- # Enthalpy of formation: -52.9 kcal/mol - -analytic -2.2971e+001 -1.3478e-002 9.5977e+003 6.6010e+000 -3.4371e+005 + -analytic -2.2971e+1 -1.3478e-2 9.5977e+3 6.601e+0 -3.4371e+5 # -Range: 0-300 - 2.0000 O2 + 1.0000 I- = IO4- - -llnl_gamma 3.5 - log_k +6.9621 - -delta_H -70.2912 kJ/mol # Calculated enthalpy of reaction IO4- + 2 O2 + I- = IO4- + -llnl_gamma 3.5 + log_k 6.9621 + -delta_H -70.2912 kJ/mol # Calculated enthalpy of reaction IO4- # Enthalpy of formation: -36.2 kcal/mol - -analytic 2.1232e+001 -7.8107e-003 3.5803e+003 -8.5272e+000 -2.5422e+005 + -analytic 2.1232e+1 -7.8107e-3 3.5803e+3 -8.5272e+0 -2.5422e+5 # -Range: 0-300 - 1.0000 La+++ + 0.5000 H2O = La++ +1.0000 H+ +0.2500 O2 - -llnl_gamma 4.5 - log_k -72.4754 - -delta_H 0 # Not possible to calculate enthalpy of reaction La+2 + La+3 + 0.5 H2O = La+2 + H+ + 0.25 O2 + -llnl_gamma 4.5 + log_k -72.4754 + -delta_H 0 # Not possible to calculate enthalpy of reaction La+2 # Enthalpy of formation: -0 kcal/mol - - 1.0000 Mn++ + 1.0000 H+ + 0.2500 O2 = Mn+++ +0.5000 H2O - -llnl_gamma 5.0 - log_k -4.0811 - -delta_H -65.2892 kJ/mol # Calculated enthalpy of reaction Mn+3 + + Mn+2 + H+ + 0.25 O2 = Mn+3 + 0.5 H2O + -llnl_gamma 5 + log_k -4.0811 + -delta_H -65.2892 kJ/mol # Calculated enthalpy of reaction Mn+3 # Enthalpy of formation: -34.895 kcal/mol - -analytic 3.8873e+001 1.7458e-002 2.0757e+003 -2.2274e+001 3.2378e+001 + -analytic 3.8873e+1 1.7458e-2 2.0757e+3 -2.2274e+1 3.2378e+1 # -Range: 0-300 - 2.0000 H2O + 1.0000 O2 + 1.0000 Mn++ = MnO4-- +4.0000 H+ - -llnl_gamma 4.0 - log_k -32.4146 - -delta_H 151.703 kJ/mol # Calculated enthalpy of reaction MnO4-2 + 2 H2O + O2 + Mn+2 = MnO4-2 + 4 H+ + -llnl_gamma 4 + log_k -32.4146 + -delta_H 151.703 kJ/mol # Calculated enthalpy of reaction MnO4-2 # Enthalpy of formation: -156 kcal/mol - -analytic -1.0407e+001 -4.6464e-002 -1.0515e+004 1.0943e+001 -1.6408e+002 + -analytic -1.0407e+1 -4.6464e-2 -1.0515e+4 1.0943e+1 -1.6408e+2 # -Range: 0-300 - 2.0000 NH3 + 1.5000 O2 = N2 +3.0000 H2O - -llnl_gamma 3.0 - log_k +116.4609 - -delta_H -687.08 kJ/mol # Calculated enthalpy of reaction N2 + 2 NH3 + 1.5 O2 = N2 + 3 H2O + -llnl_gamma 3 + log_k 116.4609 + -delta_H -687.08 kJ/mol # Calculated enthalpy of reaction N2 # Enthalpy of formation: -2.495 kcal/mol - -analytic -8.2621e+001 -1.4671e-002 4.0068e+004 2.9090e+001 -2.5924e+005 + -analytic -8.2621e+1 -1.4671e-2 4.0068e+4 2.909e+1 -2.5924e+5 # -Range: 0-300 - 3.0000 NH3 + 2.0000 O2 = N3- +4.0000 H2O +1.0000 H+ - -llnl_gamma 4.0 - log_k +96.9680 - -delta_H -599.935 kJ/mol # Calculated enthalpy of reaction N3- + 3 NH3 + 2 O2 = N3- + 4 H2O + H+ + -llnl_gamma 4 + log_k 96.968 + -delta_H -599.935 kJ/mol # Calculated enthalpy of reaction N3- # Enthalpy of formation: 275.14 kJ/mol - -analytic -9.1080e+001 -4.0817e-002 3.6350e+004 3.4484e+001 -6.2678e+005 + -analytic -9.108e+1 -4.0817e-2 3.635e+4 3.4484e+1 -6.2678e+5 # -Range: 0-300 - 1.5000 O2 + 1.0000 NH3 = NO2- +1.0000 H+ +1.0000 H2O - -llnl_gamma 3.0 - log_k +46.8653 - -delta_H -290.901 kJ/mol # Calculated enthalpy of reaction NO2- + 1.5 O2 + NH3 = NO2- + H+ + H2O + -llnl_gamma 3 + log_k 46.8653 + -delta_H -290.901 kJ/mol # Calculated enthalpy of reaction NO2- # Enthalpy of formation: -25 kcal/mol - -analytic -1.7011e+001 -3.3459e-002 1.3999e+004 1.1078e+001 -4.8255e+004 + -analytic -1.7011e+1 -3.3459e-2 1.3999e+4 1.1078e+1 -4.8255e+4 # -Range: 0-300 - 2.0000 O2 + 1.0000 NH3 = NO3- +1.0000 H+ +1.0000 H2O - -llnl_gamma 3.0 - log_k +62.1001 - -delta_H -387.045 kJ/mol # Calculated enthalpy of reaction NO3- + 2 O2 + NH3 = NO3- + H+ + H2O + -llnl_gamma 3 + log_k 62.1001 + -delta_H -387.045 kJ/mol # Calculated enthalpy of reaction NO3- # Enthalpy of formation: -49.429 kcal/mol - -analytic -3.9468e+001 -3.9697e-002 2.0614e+004 1.8872e+001 -2.1917e+005 + -analytic -3.9468e+1 -3.9697e-2 2.0614e+4 1.8872e+1 -2.1917e+5 # -Range: 0-300 - 1.0000 Nd+++ + 0.5000 H2O = Nd++ +1.0000 H+ +0.2500 O2 - -llnl_gamma 4.5 - log_k -64.3754 - -delta_H 0 # Not possible to calculate enthalpy of reaction Nd+2 + Nd+3 + 0.5 H2O = Nd+2 + H+ + 0.25 O2 + -llnl_gamma 4.5 + log_k -64.3754 + -delta_H 0 # Not possible to calculate enthalpy of reaction Nd+2 # Enthalpy of formation: -0 kcal/mol - - 1.0000 Np++++ + 0.5000 H2O = Np+++ +1.0000 H+ +0.2500 O2 - -llnl_gamma 5.0 - log_k -19.0131 - -delta_H 168.787 kJ/mol # Calculated enthalpy of reaction Np+3 + + Np+4 + 0.5 H2O = Np+3 + H+ + 0.25 O2 + -llnl_gamma 5 + log_k -19.0131 + -delta_H 168.787 kJ/mol # Calculated enthalpy of reaction Np+3 # Enthalpy of formation: -527.1 kJ/mol - -analytic 1.6615e+001 2.4645e-003 -8.9343e+003 -2.5829e+000 -1.3942e+002 + -analytic 1.6615e+1 2.4645e-3 -8.9343e+3 -2.5829e+0 -1.3942e+2 # -Range: 0-300 - 1.5000 H2O + 1.0000 Np++++ + 0.2500 O2 = NpO2+ +3.0000 H+ - -llnl_gamma 4.0 - log_k +10.5928 - -delta_H 9.80089 kJ/mol # Calculated enthalpy of reaction NpO2+ + 1.5 H2O + Np+4 + 0.25 O2 = NpO2+ + 3 H+ + -llnl_gamma 4 + log_k 10.5928 + -delta_H 9.80089 kJ/mol # Calculated enthalpy of reaction NpO2+ # Enthalpy of formation: -977.991 kJ/mol - -analytic 1.2566e+001 7.5467e-003 1.6921e+003 -2.7125e+000 -2.8381e+005 + -analytic 1.2566e+1 7.5467e-3 1.6921e+3 -2.7125e+0 -2.8381e+5 # -Range: 0-300 - 1.0000 Np++++ + 1.0000 H2O + 0.5000 O2 = NpO2++ +2.0000 H+ - -llnl_gamma 4.5 - log_k +11.2107 - -delta_H -12.5719 kJ/mol # Calculated enthalpy of reaction NpO2+2 + Np+4 + H2O + 0.5 O2 = NpO2+2 + 2 H+ + -llnl_gamma 4.5 + log_k 11.2107 + -delta_H -12.5719 kJ/mol # Calculated enthalpy of reaction NpO2+2 # Enthalpy of formation: -860.478 kJ/mol - -analytic 2.5510e+001 1.1973e-003 1.2753e+003 -6.7082e+000 -2.0792e+005 -# -Range: 0-300 - - 2.0000 H+ + 1.0000 Pb++ + 0.5000 O2 = Pb++++ +1.0000 H2O - -llnl_gamma 5.5 - log_k -14.1802 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pb+4 -# Enthalpy of formation: -0 kcal/mol - - 1.0000 Pm+++ + 0.5000 H2O = Pm++ +1.0000 H+ +0.2500 O2 - -llnl_gamma 4.5 - log_k -65.2754 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pm+2 -# Enthalpy of formation: -0 kcal/mol - - 1.0000 Pr+++ + 0.5000 H2O = Pr++ +1.0000 H+ +0.2500 O2 - -llnl_gamma 4.5 - log_k -79.9754 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pr+2 -# Enthalpy of formation: -0 kcal/mol - - 1.0000 Pu++++ + 0.5000 H2O = Pu+++ +1.0000 H+ +0.2500 O2 - -llnl_gamma 5.0 - log_k -4.5071 - -delta_H 84.2268 kJ/mol # Calculated enthalpy of reaction Pu+3 + -analytic 2.551e+1 1.1973e-3 1.2753e+3 -6.7082e+0 -2.0792e+5 +# -Range: 0-300 + + 2 H+ + Pb+2 + 0.5 O2 = Pb+4 + H2O + -llnl_gamma 5.5 + log_k -14.1802 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pb+4 +# Enthalpy of formation: -0 kcal/mol + + Pm+3 + 0.5 H2O = Pm+2 + H+ + 0.25 O2 + -llnl_gamma 4.5 + log_k -65.2754 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pm+2 +# Enthalpy of formation: -0 kcal/mol + + Pr+3 + 0.5 H2O = Pr+2 + H+ + 0.25 O2 + -llnl_gamma 4.5 + log_k -79.9754 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pr+2 +# Enthalpy of formation: -0 kcal/mol + + Pu+4 + 0.5 H2O = Pu+3 + H+ + 0.25 O2 + -llnl_gamma 5 + log_k -4.5071 + -delta_H 84.2268 kJ/mol # Calculated enthalpy of reaction Pu+3 # Enthalpy of formation: -591.552 kJ/mol - -analytic 2.0655e+001 3.2688e-003 -4.7434e+003 -4.1907e+000 1.2944e+004 + -analytic 2.0655e+1 3.2688e-3 -4.7434e+3 -4.1907e+0 1.2944e+4 # -Range: 0-300 - 1.5000 H2O + 1.0000 Pu++++ + 0.2500 O2 = PuO2+ +3.0000 H+ - -llnl_gamma 4.0 - log_k +2.9369 - -delta_H 53.5009 kJ/mol # Calculated enthalpy of reaction PuO2+ + 1.5 H2O + Pu+4 + 0.25 O2 = PuO2+ + 3 H+ + -llnl_gamma 4 + log_k 2.9369 + -delta_H 53.5009 kJ/mol # Calculated enthalpy of reaction PuO2+ # Enthalpy of formation: -914.183 kJ/mol - -analytic -2.0464e+001 2.8265e-003 1.2131e+003 9.2156e+000 -3.8400e+005 + -analytic -2.0464e+1 2.8265e-3 1.2131e+3 9.2156e+0 -3.84e+5 # -Range: 0-300 - 1.0000 Pu++++ + 1.0000 H2O + 0.5000 O2 = PuO2++ +2.0000 H+ - -llnl_gamma 4.5 - log_k +8.1273 - -delta_H 6.22013 kJ/mol # Calculated enthalpy of reaction PuO2+2 + Pu+4 + H2O + 0.5 O2 = PuO2+2 + 2 H+ + -llnl_gamma 4.5 + log_k 8.1273 + -delta_H 6.22013 kJ/mol # Calculated enthalpy of reaction PuO2+2 # Enthalpy of formation: -821.578 kJ/mol - -analytic 3.5219e+001 2.5202e-003 -2.4760e+002 -1.0120e+001 -1.7569e+005 -# -Range: 0-300 - - 4.0000 H+ + 1.0000 RuO4-- = Ru(OH)2++ +1.0000 H2O +0.5000 O2 - -llnl_gamma 4.5 - log_k +25.2470 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2+2 -# Enthalpy of formation: -0 kcal/mol - - 4.0000 H+ + 1.0000 RuO4-- = Ru++ +2.0000 H2O +1.0000 O2 - -llnl_gamma 4.5 - log_k +0.1610 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ru+2 -# Enthalpy of formation: -0 kcal/mol - - 5.0000 H+ + 1.0000 RuO4-- = Ru+++ +2.5000 H2O +0.7500 O2 - -llnl_gamma 5.0 - log_k +17.6149 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ru+3 -# Enthalpy of formation: -0 kcal/mol - - 2.0000 H+ + 1.0000 RuO4-- + 0.5000 O2 = RuO4 +1.0000 H2O - -llnl_gamma 3.0 - log_k +16.2672 - -delta_H -60.8385 kJ/mol # Calculated enthalpy of reaction RuO4 + -analytic 3.5219e+1 2.5202e-3 -2.476e+2 -1.012e+1 -1.7569e+5 +# -Range: 0-300 + + 4 H+ + RuO4-2 = Ru(OH)2+2 + H2O + 0.5 O2 + -llnl_gamma 4.5 + log_k 25.247 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2+2 +# Enthalpy of formation: -0 kcal/mol + + 4 H+ + RuO4-2 = Ru+2 + 2 H2O + O2 + -llnl_gamma 4.5 + log_k 0.161 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ru+2 +# Enthalpy of formation: -0 kcal/mol + + 5 H+ + RuO4-2 = Ru+3 + 2.5 H2O + 0.75 O2 + -llnl_gamma 5 + log_k 17.6149 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ru+3 +# Enthalpy of formation: -0 kcal/mol + + 2 H+ + RuO4-2 + 0.5 O2 = RuO4 + H2O + -llnl_gamma 3 + log_k 16.2672 + -delta_H -60.8385 kJ/mol # Calculated enthalpy of reaction RuO4 # Enthalpy of formation: -238.142 kJ/mol - -analytic 1.9964e+002 6.8286e-002 -1.2020e+003 -8.0706e+001 -2.0481e+001 + -analytic 1.9964e+2 6.8286e-2 -1.202e+3 -8.0706e+1 -2.0481e+1 # -Range: 0-200 - 1.0000 RuO4-- + 1.0000 H+ + 0.2500 O2 = RuO4- +0.5000 H2O - -llnl_gamma 4.0 - log_k +11.6024 - -delta_H -16.1998 kJ/mol # Calculated enthalpy of reaction RuO4- + RuO4-2 + H+ + 0.25 O2 = RuO4- + 0.5 H2O + -llnl_gamma 4 + log_k 11.6024 + -delta_H -16.1998 kJ/mol # Calculated enthalpy of reaction RuO4- # Enthalpy of formation: -333.389 kJ/mol - -analytic -1.9653e+000 8.8623e-003 1.8588e+003 1.8998e+000 2.9005e+001 + -analytic -1.9653e+0 8.8623e-3 1.8588e+3 1.8998e+0 2.9005e+1 # -Range: 0-300 - 2.0000 H+ + 2.0000 SO3-- = S2O4-- + .500 O2 + H2O - -llnl_gamma 5.0 + 2 H+ + 2 SO3-2 = S2O4-2 + .5 O2 + H2O + -llnl_gamma 5 # log_k -25.2075 - log_k -25.2076 - -delta_H 0 # Not possible to calculate enthalpy of reaction S2O4-2 + log_k -25.2076 + -delta_H 0 # Not possible to calculate enthalpy of reaction S2O4-2 # Enthalpy of formation: -0 kcal/mol # -analytic -0.15158E+05 -0.31356E+01 0.47072E+06 0.58544E+04 0.73497E+04 - -analytic -2.3172e2 2.0393e-3 -7.1011e0 8.3239e1 9.4155e-1 + -analytic -2.3172e2 2.0393e-3 -7.1011e0 8.3239e1 9.4155e-1 # changed 3/23/04, corrected to supcrt temperature dependence, GMA # -Range: 0-300 # 2.0000 SO3-- + .500 O2 + 2.0000 H+ = S2O6-- + H2O -# H2O = .5 O2 + 2H+ + 2e- -2SO3-- = S2O6-- + 2e- - -llnl_gamma 4.0 - log_k 41.8289 - -delta_H 0 # Not possible to calculate enthalpy of reaction S2O6-2 +# H2O = .5 O2 + 2H+ + 2e- +2 SO3-2 = S2O6-2 + 2 e- + -llnl_gamma 4 + log_k 41.8289 + -delta_H 0 # Not possible to calculate enthalpy of reaction S2O6-2 # Enthalpy of formation: -0 kcal/mol - -analytic 0.14458E+03 0.61449E-01 0.71877E+04 -0.58657E+02 0.11211E+03 + -analytic 0.14458E+3 0.61449E-1 0.71877E+4 -0.58657E+2 0.11211E+3 # -Range: 0-300 - -add_logk Log_K_O2 0.5 + -add_logk Log_K_O2 0.5 - 2.0000 SO3-- + 1.500 O2 + 2.0000 H+ = S2O8-- + H2O - -llnl_gamma 4.0 - log_k 70.7489 - -delta_H 0 # Not possible to calculate enthalpy of reaction S2O8-2 + 2 SO3-2 + 1.5 O2 + 2 H+ = S2O8-2 + H2O + -llnl_gamma 4 + log_k 70.7489 + -delta_H 0 # Not possible to calculate enthalpy of reaction S2O8-2 # Enthalpy of formation: -0 kcal/mol - -analytic 0.18394E+03 0.60414E-01 0.13864E+05 -0.71804E+02 0.21628E+03 + -analytic 0.18394E+3 0.60414E-1 0.13864E+5 -0.71804E+2 0.21628E+3 # -Range: 0-300 -O2 + H+ + 3.0000 HS- = S3-- + 2.0000 H2O +O2 + H+ + 3 HS- = S3-2 + 2 H2O # 2H2O = O2 + 4H+ + 4e- #3HS- = S3-- + 3H+ + 4e- - -llnl_gamma 4.0 - log_k 79.3915 - -delta_H 0 # Not possible to calculate enthalpy of reaction S3-2 + -llnl_gamma 4 + log_k 79.3915 + -delta_H 0 # Not possible to calculate enthalpy of reaction S3-2 # Enthalpy of formation: -0 kcal/mol - -analytic -0.51626E+02 0.70208E-02 0.31797E+05 0.11927E+02 -0.64249E+06 - -mass_balance S(-2)3 + -analytic -0.51626E+2 0.70208E-2 0.31797E+5 0.11927E+2 -0.64249E+6 + -mass_balance S(-2)3 # -Range: 0-300 # -add_logk Log_K_O2 1.0 # 3.0000 SO3-- + 4.0000 H+ = S3O6-- + .500 O2 + 2.0000 H2O # .5 O2 + 2H+ + 2e- = H2O -3SO3-- + 6 H+ + 2e- = S3O6-- + 3H2O - -llnl_gamma 4.0 - log_k -6.2316 - -delta_H 0 # Not possible to calculate enthalpy of reaction S3O6-2 +3 SO3-2 + 6 H+ + 2 e- = S3O6-2 + 3 H2O + -llnl_gamma 4 + log_k -6.2316 + -delta_H 0 # Not possible to calculate enthalpy of reaction S3O6-2 # Enthalpy of formation: -0 kcal/mol - -analytic 0.23664E+03 0.12702E+00 -0.10110E+05 -0.99715E+02 -0.15783E+03 + -analytic 0.23664E+3 0.12702E+0 -0.1011E+5 -0.99715E+2 -0.15783E+3 # -Range: 0-300 - -add_logk Log_K_O2 -0.5 + -add_logk Log_K_O2 -0.5 -1.5000 O2 + 2.0000 H+ + 4.0000 HS- = S4-- + 3.0000 H2O +1.5 O2 + 2 H+ + 4 HS- = S4-2 + 3 H2O #4 HS- = S4-- + 4H+ + 6e- - -llnl_gamma 4.0 - log_k 125.2958 - -delta_H 0 # Not possible to calculate enthalpy of reaction S4-2 + -llnl_gamma 4 + log_k 125.2958 + -delta_H 0 # Not possible to calculate enthalpy of reaction S4-2 # Enthalpy of formation: -0 kcal/mol - -analytic 0.20875E+03 0.58133E-01 0.33278E+05 -0.85833E+02 0.51921E+03 - -mass_balance S(-2)4 + -analytic 0.20875E+3 0.58133E-1 0.33278E+5 -0.85833E+2 0.51921E+3 + -mass_balance S(-2)4 # -Range: 0-300 # -add_logk Log_K_O2 1.5 # 4.0000 SO3-- + 6.0000 H+ = S4O6-- + 1.500 O2 + 3.0000 H2O -4 SO3-- + 12 H+ + 6e- = S4O6-- + 6H2O - -llnl_gamma 4.0 - log_k -38.3859 - -delta_H 0 # Not possible to calculate enthalpy of reaction S4O6-2 +4 SO3-2 + 12 H+ + 6 e- = S4O6-2 + 6 H2O + -llnl_gamma 4 + log_k -38.3859 + -delta_H 0 # Not possible to calculate enthalpy of reaction S4O6-2 # Enthalpy of formation: -0 kcal/mol - -analytic 0.32239E+03 0.19555E+00 -0.23617E+05 -0.13729E+03 -0.36862E+03 + -analytic 0.32239E+3 0.19555E+0 -0.23617E+5 -0.13729E+3 -0.36862E+3 # -Range: 0-300 - -add_logk Log_K_O2 -1.5 + -add_logk Log_K_O2 -1.5 -2.0000 O2 + 3.0000 H+ + 5.0000 HS- = S5-- + 4.0000 H2O +2 O2 + 3 H+ + 5 HS- = S5-2 + 4 H2O #5 HS- = S5-- + 5H+ + 8e- - -llnl_gamma 4.0 - log_k 170.9802 - -delta_H 0 # Not possible to calculate enthalpy of reaction S5-2 + -llnl_gamma 4 + log_k 170.9802 + -delta_H 0 # Not possible to calculate enthalpy of reaction S5-2 # Enthalpy of formation: -0 kcal/mol - -analytic 0.30329E+03 0.88033E-01 0.44739E+05 -0.12471E+03 0.69803E+03 - -mass_balance S(-2)5 + -analytic 0.30329E+3 0.88033E-1 0.44739E+5 -0.12471E+3 0.69803E+3 + -mass_balance S(-2)5 # -Range: 0-300 # -add_logk Log_K_O2 2 # 5.0000 SO3-- + 8.0000 H+ = S5O6-- + 2.5000 O2 + 4.0000 H2O # 2.5O2 + 10 H+ + 10e- = 5H2O -5SO3-- + 18H+ + 10e- = S5O6-- + 9H2O - -llnl_gamma 4.0 - log_k -99.4206 - -delta_H 0 # Not possible to calculate enthalpy of reaction S5O6-2 +5 SO3-2 + 18 H+ + 10 e- = S5O6-2 + 9 H2O + -llnl_gamma 4 + log_k -99.4206 + -delta_H 0 # Not possible to calculate enthalpy of reaction S5O6-2 # Enthalpy of formation: -0 kcal/mol - -analytic 0.42074E+03 0.25833E+00 -0.43878E+05 -0.18178E+03 -0.68480E+03 + -analytic 0.42074E+3 0.25833E+0 -0.43878E+5 -0.18178E+3 -0.6848E+3 # -Range: 0-300 - -add_logk Log_K_O2 -2.5 + -add_logk Log_K_O2 -2.5 # 1.0000 H+ + HCO3- + HS- + NH3 = SCN- + 3.0000 H2O -# -llnl_gamma 3.5 +# -llnl_gamma 3.5 # log_k 3.0070 # -delta_H 0 # Not possible to calculate enthalpy of reaction SCN- ## Enthalpy of formation: -0 kcal/mol @@ -1339,17541 +1343,17541 @@ O2 + H+ + 3.0000 HS- = S3-- + 2.0000 H2O ## -Range: 0-300 Thiocyanate- = Thiocyanate- - log_k 0.0 + log_k 0 - 1.0000 SO4-- = SO3-- +0.5000 O2 - -llnl_gamma 4.5 - log_k -46.6244 - -delta_H 267.985 kJ/mol # Calculated enthalpy of reaction SO3-2 + SO4-2 = SO3-2 + 0.5 O2 + -llnl_gamma 4.5 + log_k -46.6244 + -delta_H 267.985 kJ/mol # Calculated enthalpy of reaction SO3-2 # Enthalpy of formation: -151.9 kcal/mol - -analytic -1.3771e+001 6.5102e-004 -1.3330e+004 4.7164e+000 -2.0800e+002 + -analytic -1.3771e+1 6.5102e-4 -1.333e+4 4.7164e+0 -2.08e+2 # -Range: 0-300 -1.0000 HSe- = Se-- + 1.0000 H+ - -llnl_gamma 4.0 - log_k -14.9534 - -delta_H 0 # Not possible to calculate enthalpy of reaction Se-2 +HSe- = Se-2 + H+ + -llnl_gamma 4 + log_k -14.9534 + -delta_H 0 # Not possible to calculate enthalpy of reaction Se-2 # Enthalpy of formation: -0 kcal/mol - -analytic 1.0244e+002 3.1346e-002 -5.4190e+003 -4.3871e+001 -8.4589e+001 + -analytic 1.0244e+2 3.1346e-2 -5.419e+3 -4.3871e+1 -8.4589e+1 # -Range: 0-300 - 1.0000 SeO3-- + 0.5000 O2 = SeO4-- - -llnl_gamma 4.0 - log_k +13.9836 - -delta_H -83.8892 kJ/mol # Calculated enthalpy of reaction SeO4-2 + SeO3-2 + 0.5 O2 = SeO4-2 + -llnl_gamma 4 + log_k 13.9836 + -delta_H -83.8892 kJ/mol # Calculated enthalpy of reaction SeO4-2 # Enthalpy of formation: -143.2 kcal/mol - -analytic -7.2314e+001 -1.3657e-002 8.6969e+003 2.6182e+001 -3.1897e+005 + -analytic -7.2314e+1 -1.3657e-2 8.6969e+3 2.6182e+1 -3.1897e+5 # -Range: 0-300 - 1.0000 Sm+++ + 0.5000 H2O = Sm++ +1.0000 H+ +0.2500 O2 - -llnl_gamma 4.5 - log_k -47.9624 - -delta_H 326.911 kJ/mol # Calculated enthalpy of reaction Sm+2 + Sm+3 + 0.5 H2O = Sm+2 + H+ + 0.25 O2 + -llnl_gamma 4.5 + log_k -47.9624 + -delta_H 326.911 kJ/mol # Calculated enthalpy of reaction Sm+2 # Enthalpy of formation: -120.5 kcal/mol - -analytic -1.0217e+001 7.7548e-003 -1.6285e+004 5.4711e+000 9.1931e+004 + -analytic -1.0217e+1 7.7548e-3 -1.6285e+4 5.4711e+0 9.1931e+4 # -Range: 0-300 - 2.0000 H+ + 1.0000 Sn++ + 0.5000 O2 = Sn++++ +1.0000 H2O - -llnl_gamma 11.0 - log_k +37.7020 - -delta_H -240.739 kJ/mol # Calculated enthalpy of reaction Sn+4 + 2 H+ + Sn+2 + 0.5 O2 = Sn+4 + H2O + -llnl_gamma 11 + log_k 37.702 + -delta_H -240.739 kJ/mol # Calculated enthalpy of reaction Sn+4 # Enthalpy of formation: 7.229 kcal/mol - -analytic 3.2053e+001 -9.2307e-003 1.0378e+004 -1.0666e+001 1.6193e+002 -# -Range: 0-300 - - 1.0000 Tb+++ + 0.5000 H2O = Tb++ +1.0000 H+ +0.2500 O2 - -llnl_gamma 4.5 - log_k -78.7754 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tb+2 -# Enthalpy of formation: -0 kcal/mol - - 4.0000 H+ + 1.0000 TcO4- = Tc+++ +2.0000 H2O +1.0000 O2 - -llnl_gamma 5.0 - log_k -47.614 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tc+3 -# Enthalpy of formation: -0 kcal/mol - - 3.0000 H+ + 1.0000 TcO4- = TcO++ +1.5000 H2O +0.7500 O2 - -llnl_gamma 4.5 - log_k -31.5059 - -delta_H 0 # Not possible to calculate enthalpy of reaction TcO+2 -# Enthalpy of formation: -0 kcal/mol - - 1.0000 TcO4- + 0.5000 H2O = TcO4-- +1.0000 H+ +0.2500 O2 - -llnl_gamma 4.0 - log_k -31.8197 - -delta_H 0 # Not possible to calculate enthalpy of reaction TcO4-2 -# Enthalpy of formation: -0 kcal/mol - - 1.0000 TcO4- + 1.0000 H2O = TcO4--- +2.0000 H+ +0.5000 O2 - -llnl_gamma 4.0 - log_k -63.2889 - -delta_H 0 # Not possible to calculate enthalpy of reaction TcO4-3 -# Enthalpy of formation: -0 kcal/mol - - 2.0000 H+ + 1.0000 Tl+ + 0.5000 O2 = Tl+++ +1.0000 H2O - -llnl_gamma 5.0 - log_k -0.2751 - -delta_H -88.479 kJ/mol # Calculated enthalpy of reaction Tl+3 + -analytic 3.2053e+1 -9.2307e-3 1.0378e+4 -1.0666e+1 1.6193e+2 +# -Range: 0-300 + + Tb+3 + 0.5 H2O = Tb+2 + H+ + 0.25 O2 + -llnl_gamma 4.5 + log_k -78.7754 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tb+2 +# Enthalpy of formation: -0 kcal/mol + + 4 H+ + TcO4- = Tc+3 + 2 H2O + O2 + -llnl_gamma 5 + log_k -47.614 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tc+3 +# Enthalpy of formation: -0 kcal/mol + + 3 H+ + TcO4- = TcO+2 + 1.5 H2O + 0.75 O2 + -llnl_gamma 4.5 + log_k -31.5059 + -delta_H 0 # Not possible to calculate enthalpy of reaction TcO+2 +# Enthalpy of formation: -0 kcal/mol + + TcO4- + 0.5 H2O = TcO4-2 + H+ + 0.25 O2 + -llnl_gamma 4 + log_k -31.8197 + -delta_H 0 # Not possible to calculate enthalpy of reaction TcO4-2 +# Enthalpy of formation: -0 kcal/mol + + TcO4- + H2O = TcO4-3 + 2 H+ + 0.5 O2 + -llnl_gamma 4 + log_k -63.2889 + -delta_H 0 # Not possible to calculate enthalpy of reaction TcO4-3 +# Enthalpy of formation: -0 kcal/mol + + 2 H+ + Tl+ + 0.5 O2 = Tl+3 + H2O + -llnl_gamma 5 + log_k -0.2751 + -delta_H -88.479 kJ/mol # Calculated enthalpy of reaction Tl+3 # Enthalpy of formation: 47 kcal/mol - -analytic -6.7978e+001 -2.6430e-002 5.3106e+003 2.3340e+001 8.2887e+001 + -analytic -6.7978e+1 -2.643e-2 5.3106e+3 2.334e+1 8.2887e+1 # -Range: 0-300 - 1.0000 Tm+++ + 0.5000 H2O = Tm++ +1.0000 H+ +0.2500 O2 - -llnl_gamma 4.5 - log_k -58.3754 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tm+2 + Tm+3 + 0.5 H2O = Tm+2 + H+ + 0.25 O2 + -llnl_gamma 4.5 + log_k -58.3754 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tm+2 # Enthalpy of formation: -0 kcal/mol - - 1.0000 UO2++ + 1.0000 H+ = U+++ +0.7500 O2 +0.5000 H2O - -llnl_gamma 5.0 - log_k -64.8028 - -delta_H 377.881 kJ/mol # Calculated enthalpy of reaction U+3 + + UO2+2 + H+ = U+3 + 0.75 O2 + 0.5 H2O + -llnl_gamma 5 + log_k -64.8028 + -delta_H 377.881 kJ/mol # Calculated enthalpy of reaction U+3 # Enthalpy of formation: -489.1 kJ/mol - -analytic 2.5133e+001 6.4088e-003 -2.2542e+004 -8.1423e+000 3.4793e+005 + -analytic 2.5133e+1 6.4088e-3 -2.2542e+4 -8.1423e+0 3.4793e+5 # -Range: 0-300 - 2.0000 H+ + 1.0000 UO2++ = U++++ +1.0000 H2O +0.5000 O2 - -llnl_gamma 5.5 - log_k -33.9491 - -delta_H 135.895 kJ/mol # Calculated enthalpy of reaction U+4 + 2 H+ + UO2+2 = U+4 + H2O + 0.5 O2 + -llnl_gamma 5.5 + log_k -33.9491 + -delta_H 135.895 kJ/mol # Calculated enthalpy of reaction U+4 # Enthalpy of formation: -591.2 kJ/mol - -analytic 4.4837e+001 1.0129e-002 -1.1787e+004 -1.9194e+001 4.6436e+005 + -analytic 4.4837e+1 1.0129e-2 -1.1787e+4 -1.9194e+1 4.6436e+5 # -Range: 0-300 - 1.0000 UO2++ + 0.5000 H2O = UO2+ +1.0000 H+ +0.2500 O2 - -llnl_gamma 4.0 - log_k -20.0169 - -delta_H 133.759 kJ/mol # Calculated enthalpy of reaction UO2+ + UO2+2 + 0.5 H2O = UO2+ + H+ + 0.25 O2 + -llnl_gamma 4 + log_k -20.0169 + -delta_H 133.759 kJ/mol # Calculated enthalpy of reaction UO2+ # Enthalpy of formation: -1025.13 kJ/mol - -analytic 8.0480e+000 9.5845e-003 -6.5994e+003 -3.5515e+000 -1.0298e+002 + -analytic 8.048e+0 9.5845e-3 -6.5994e+3 -3.5515e+0 -1.0298e+2 # -Range: 0-300 - 1.0000 VO++ + 1.0000 H+ = V+++ +0.5000 H2O +0.2500 O2 - -llnl_gamma 5.0 - log_k -15.7191 - -delta_H 79.6069 kJ/mol # Calculated enthalpy of reaction V+3 + VO+2 + H+ = V+3 + 0.5 H2O + 0.25 O2 + -llnl_gamma 5 + log_k -15.7191 + -delta_H 79.6069 kJ/mol # Calculated enthalpy of reaction V+3 # Enthalpy of formation: -62.39 kcal/mol - -analytic 1.6167e+001 1.1963e-002 -4.2112e+003 -8.6126e+000 -6.5717e+001 + -analytic 1.6167e+1 1.1963e-2 -4.2112e+3 -8.6126e+0 -6.5717e+1 # -Range: 0-300 - 1.0000 VO++ + 0.5000 H2O + 0.2500 O2 = VO2+ +1.0000 H+ - -llnl_gamma 4.0 - log_k +4.5774 - -delta_H -17.2234 kJ/mol # Calculated enthalpy of reaction VO2+ + VO+2 + 0.5 H2O + 0.25 O2 = VO2+ + H+ + -llnl_gamma 4 + log_k 4.5774 + -delta_H -17.2234 kJ/mol # Calculated enthalpy of reaction VO2+ # Enthalpy of formation: -155.3 kcal/mol - -analytic 1.9732e+000 5.3936e-003 1.2240e+003 -1.2539e+000 1.9098e+001 + -analytic 1.9732e+0 5.3936e-3 1.224e+3 -1.2539e+0 1.9098e+1 # -Range: 0-300 - 1.0000 VO2+ + 2.0000 H2O = VO4--- +4.0000 H+ - -llnl_gamma 4.0 - log_k -28.4475 - -delta_H 0 # Not possible to calculate enthalpy of reaction VO4-3 + VO2+ + 2 H2O = VO4-3 + 4 H+ + -llnl_gamma 4 + log_k -28.4475 + -delta_H 0 # Not possible to calculate enthalpy of reaction VO4-3 # Enthalpy of formation: -0 kcal/mol - 1.0000 Yb+++ + 0.5000 H2O = Yb++ +1.0000 H+ +0.2500 O2 - -llnl_gamma 4.5 - log_k -39.4595 - -delta_H 280.05 kJ/mol # Calculated enthalpy of reaction Yb+2 + Yb+3 + 0.5 H2O = Yb+2 + H+ + 0.25 O2 + -llnl_gamma 4.5 + log_k -39.4595 + -delta_H 280.05 kJ/mol # Calculated enthalpy of reaction Yb+2 # Enthalpy of formation: -126.8 kcal/mol - -analytic 1.0773e+000 9.5995e-003 -1.3833e+004 1.0723e+000 3.1365e+004 + -analytic 1.0773e+0 9.5995e-3 -1.3833e+4 1.0723e+0 3.1365e+4 # -Range: 0-300 - 2.0000 H+ + 1.0000 Zr(OH)2++ = Zr++++ +2.0000 H2O - -llnl_gamma 11.0 - log_k +0.2385 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zr+4 + 2 H+ + Zr(OH)2+2 = Zr+4 + 2 H2O + -llnl_gamma 11 + log_k 0.2385 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zr+4 # Enthalpy of formation: -0 kcal/mol -4.0000 HS- + 4.0000 H+ + 2.0000 Sb(OH)3 + 2.0000 NH3 = (NH4)2Sb2S4 +6.0000 H2O - -llnl_gamma 3.0 - log_k +67.6490 - -delta_H -424.665 kJ/mol # Calculated enthalpy of reaction (NH4)2Sb2S4 +4 HS- + 4 H+ + 2 Sb(OH)3 + 2 NH3 = (NH4)2Sb2S4 + 6 H2O + -llnl_gamma 3 + log_k 67.649 + -delta_H -424.665 kJ/mol # Calculated enthalpy of reaction (NH4)2Sb2S4 # Enthalpy of formation: -484.321 kJ/mol - -analytic -3.9259e+002 -1.1727e-001 3.2073e+004 1.5667e+002 5.4478e+002 + -analytic -3.9259e+2 -1.1727e-1 3.2073e+4 1.5667e+2 5.4478e+2 # -Range: 0-200 -2.0000 NpO2++ + 2.0000 H2O = (NpO2)2(OH)2++ +2.0000 H+ - -llnl_gamma 4.5 - log_k -6.4 - -delta_H 45.4397 kJ/mol # Calculated enthalpy of reaction (NpO2)2(OH)2+2 +2 NpO2+2 + 2 H2O = (NpO2)2(OH)2+2 + 2 H+ + -llnl_gamma 4.5 + log_k -6.4 + -delta_H 45.4397 kJ/mol # Calculated enthalpy of reaction (NpO2)2(OH)2+2 # Enthalpy of formation: -537.092 kcal/mol - -analytic -4.7462e+001 -3.1413e-002 -2.1954e+003 2.3355e+001 -3.7424e+001 + -analytic -4.7462e+1 -3.1413e-2 -2.1954e+3 2.3355e+1 -3.7424e+1 # -Range: 25-150 -5.0000 H2O + 3.0000 NpO2++ = (NpO2)3(OH)5+ +5.0000 H+ - -llnl_gamma 4.0 - log_k -17.5 - -delta_H 112.322 kJ/mol # Calculated enthalpy of reaction (NpO2)3(OH)5+ +5 H2O + 3 NpO2+2 = (NpO2)3(OH)5+ + 5 H+ + -llnl_gamma 4 + log_k -17.5 + -delta_H 112.322 kJ/mol # Calculated enthalpy of reaction (NpO2)3(OH)5+ # Enthalpy of formation: -931.717 kcal/mol - -analytic 5.4053e+002 9.1693e-002 -2.4404e+004 -2.0349e+002 -4.1639e+002 + -analytic 5.4053e+2 9.1693e-2 -2.4404e+4 -2.0349e+2 -4.1639e+2 # -Range: 25-150 -2.0000 PuO2++ + 2.0000 H2O = (PuO2)2(OH)2++ +2.0000 H+ - -llnl_gamma 4.5 - log_k -8.2626 - -delta_H 57.8597 kJ/mol # Calculated enthalpy of reaction (PuO2)2(OH)2+2 +2 PuO2+2 + 2 H2O = (PuO2)2(OH)2+2 + 2 H+ + -llnl_gamma 4.5 + log_k -8.2626 + -delta_H 57.8597 kJ/mol # Calculated enthalpy of reaction (PuO2)2(OH)2+2 # Enthalpy of formation: -2156.97 kJ/mol - -analytic 6.5448e+001 -1.6194e-003 -5.9542e+003 -2.1522e+001 -9.2929e+001 + -analytic 6.5448e+1 -1.6194e-3 -5.9542e+3 -2.1522e+1 -9.2929e+1 # -Range: 0-300 -5.0000 H2O + 3.0000 PuO2++ = (PuO2)3(OH)5+ +5.0000 H+ - -llnl_gamma 4.0 - log_k -21.655 - -delta_H 139.617 kJ/mol # Calculated enthalpy of reaction (PuO2)3(OH)5+ +5 H2O + 3 PuO2+2 = (PuO2)3(OH)5+ + 5 H+ + -llnl_gamma 4 + log_k -21.655 + -delta_H 139.617 kJ/mol # Calculated enthalpy of reaction (PuO2)3(OH)5+ # Enthalpy of formation: -3754.31 kJ/mol - -analytic 1.6151e+002 5.8182e-003 -1.4002e+004 -5.5745e+001 -2.1854e+002 + -analytic 1.6151e+2 5.8182e-3 -1.4002e+4 -5.5745e+1 -2.1854e+2 # -Range: 0-300 -4.0000 H2O + 2.0000 TcO++ = (TcO(OH)2)2 +4.0000 H+ - -llnl_gamma 3.0 - log_k -0.1271 - -delta_H 0 # Not possible to calculate enthalpy of reaction (TcO(OH)2)2 +4 H2O + 2 TcO+2 = (TcO(OH)2)2 + 4 H+ + -llnl_gamma 3 + log_k -0.1271 + -delta_H 0 # Not possible to calculate enthalpy of reaction (TcO(OH)2)2 # Enthalpy of formation: -0 kcal/mol - -12.0000 H2O + 11.0000 UO2++ + 6.0000 HCO3- = (UO2)11(CO3)6(OH)12-2 +18.0000 H+ - -llnl_gamma 4.0 - log_k -25.7347 - -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)11(CO3)6(OH)12-2 + +12 H2O + 11 UO2+2 + 6 HCO3- = (UO2)11(CO3)6(OH)12-2 + 18 H+ + -llnl_gamma 4 + log_k -25.7347 + -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)11(CO3)6(OH)12-2 # Enthalpy of formation: -0 kcal/mol - -2.0000 UO2++ + 2.0000 H2O = (UO2)2(OH)2++ +2.0000 H+ - -llnl_gamma 4.5 - log_k -5.6346 - -delta_H 37.6127 kJ/mol # Calculated enthalpy of reaction (UO2)2(OH)2+2 + +2 UO2+2 + 2 H2O = (UO2)2(OH)2+2 + 2 H+ + -llnl_gamma 4.5 + log_k -5.6346 + -delta_H 37.6127 kJ/mol # Calculated enthalpy of reaction (UO2)2(OH)2+2 # Enthalpy of formation: -2572.06 kJ/mol - -analytic 6.4509e+001 -7.6875e-004 -4.8433e+003 -2.1689e+001 -7.5593e+001 + -analytic 6.4509e+1 -7.6875e-4 -4.8433e+3 -2.1689e+1 -7.5593e+1 # -Range: 0-300 -3.0000 H2O + 2.0000 UO2++ + 1.0000 HCO3- = (UO2)2CO3(OH)3- +4.0000 H+ - -llnl_gamma 4.0 - log_k -11.2229 - -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)2CO3(OH)3- +3 H2O + 2 UO2+2 + HCO3- = (UO2)2CO3(OH)3- + 4 H+ + -llnl_gamma 4 + log_k -11.2229 + -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)2CO3(OH)3- # Enthalpy of formation: -0 kcal/mol - -2.0000 UO2++ + 1.0000 H2O = (UO2)2OH+++ +1.0000 H+ - -llnl_gamma 5.0 - log_k -2.7072 - -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)2OH+3 + +2 UO2+2 + H2O = (UO2)2OH+3 + H+ + -llnl_gamma 5 + log_k -2.7072 + -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)2OH+3 # Enthalpy of formation: -0 kcal/mol - -6.0000 HCO3- + 3.0000 UO2++ = (UO2)3(CO3)6-6 +6.0000 H+ - -llnl_gamma 4.0 - log_k -8.0601 - -delta_H 25.5204 kJ/mol # Calculated enthalpy of reaction (UO2)3(CO3)6-6 + +6 HCO3- + 3 UO2+2 = (UO2)3(CO3)6-6 + 6 H+ + -llnl_gamma 4 + log_k -8.0601 + -delta_H 25.5204 kJ/mol # Calculated enthalpy of reaction (UO2)3(CO3)6-6 # Enthalpy of formation: -7171.08 kJ/mol - -analytic 7.4044e+002 2.7299e-001 -1.7614e+004 -3.1149e+002 -2.7507e+002 + -analytic 7.4044e+2 2.7299e-1 -1.7614e+4 -3.1149e+2 -2.7507e+2 # -Range: 0-300 -4.0000 H2O + 3.0000 UO2++ = (UO2)3(OH)4++ +4.0000 H+ - -llnl_gamma 4.5 - log_k -11.929 - -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)3(OH)4+2 +4 H2O + 3 UO2+2 = (UO2)3(OH)4+2 + 4 H+ + -llnl_gamma 4.5 + log_k -11.929 + -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)3(OH)4+2 # Enthalpy of formation: -0 kcal/mol - -5.0000 H2O + 3.0000 UO2++ = (UO2)3(OH)5+ +5.0000 H+ - -llnl_gamma 4.0 - log_k -15.5862 - -delta_H 97.1056 kJ/mol # Calculated enthalpy of reaction (UO2)3(OH)5+ + +5 H2O + 3 UO2+2 = (UO2)3(OH)5+ + 5 H+ + -llnl_gamma 4 + log_k -15.5862 + -delta_H 97.1056 kJ/mol # Calculated enthalpy of reaction (UO2)3(OH)5+ # Enthalpy of formation: -4389.09 kJ/mol - -analytic 1.6004e+002 7.0827e-003 -1.1700e+004 -5.5973e+001 -1.8261e+002 -# -Range: 0-300 - -4.0000 H2O + 3.0000 UO2++ + 1.0000 HCO3- = (UO2)3(OH)5CO2+ +4.0000 H+ - -llnl_gamma 4.0 - log_k -9.6194 - -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)3(OH)5CO2+ -# Enthalpy of formation: -0 kcal/mol - -7.0000 H2O + 3.0000 UO2++ = (UO2)3(OH)7- +7.0000 H+ - -llnl_gamma 4.0 - log_k -31.0508 - -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)3(OH)7- -# Enthalpy of formation: -0 kcal/mol - -3.0000 UO2++ + 3.0000 H2O + 1.0000 HCO3- = (UO2)3O(OH)2(HCO3)+ +4.0000 H+ - -llnl_gamma 4.0 - log_k -9.7129 - -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)3O(OH)2(HCO3)+ -# Enthalpy of formation: -0 kcal/mol - -7.0000 H2O + 4.0000 UO2++ = (UO2)4(OH)7+ +7.0000 H+ - -llnl_gamma 4.0 - log_k -21.9508 - -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)4(OH)7+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 VO++ + 2.0000 H2O = (VO)2(OH)2++ +2.0000 H+ - -llnl_gamma 4.5 - log_k -6.67 - -delta_H 0 # Not possible to calculate enthalpy of reaction (VO)2(OH)2+2 -# Enthalpy of formation: -0 kcal/mol - -HAcetate = Acetate- + H+ - -llnl_gamma 4.5 - log_k -4.7572 - -delta_H 0 # Not possible to calculate enthalpy of reaction Acetate- -# Enthalpy of formation: -0 kcal/mol - -analytic -0.96597E+02 -0.34535E-01 0.19753E+04 0.38593E+02 0.30850E+02 + -analytic 1.6004e+2 7.0827e-3 -1.17e+4 -5.5973e+1 -1.8261e+2 +# -Range: 0-300 + +4 H2O + 3 UO2+2 + HCO3- = (UO2)3(OH)5CO2+ + 4 H+ + -llnl_gamma 4 + log_k -9.6194 + -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)3(OH)5CO2+ +# Enthalpy of formation: -0 kcal/mol + +7 H2O + 3 UO2+2 = (UO2)3(OH)7- + 7 H+ + -llnl_gamma 4 + log_k -31.0508 + -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)3(OH)7- +# Enthalpy of formation: -0 kcal/mol + +3 UO2+2 + 3 H2O + HCO3- = (UO2)3O(OH)2(HCO3)+ + 4 H+ + -llnl_gamma 4 + log_k -9.7129 + -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)3O(OH)2(HCO3)+ +# Enthalpy of formation: -0 kcal/mol + +7 H2O + 4 UO2+2 = (UO2)4(OH)7+ + 7 H+ + -llnl_gamma 4 + log_k -21.9508 + -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)4(OH)7+ +# Enthalpy of formation: -0 kcal/mol + +2 VO+2 + 2 H2O = (VO)2(OH)2+2 + 2 H+ + -llnl_gamma 4.5 + log_k -6.67 + -delta_H 0 # Not possible to calculate enthalpy of reaction (VO)2(OH)2+2 +# Enthalpy of formation: -0 kcal/mol + +HAcetate = Acetate- + H+ + -llnl_gamma 4.5 + log_k -4.7572 + -delta_H 0 # Not possible to calculate enthalpy of reaction Acetate- +# Enthalpy of formation: -0 kcal/mol + -analytic -0.96597E+2 -0.34535E-1 0.19753E+4 0.38593E+2 0.3085E+2 # Range: 0-300 -2.0000 HAcetate + 1.0000 Ag+ = Ag(Acetate)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -8.8716 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ag(Acetate)2- +2 HAcetate + Ag+ = Ag(Acetate)2- + 2 H+ + -llnl_gamma 4 + log_k -8.8716 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ag(Acetate)2- # Enthalpy of formation: -0 kcal/mol - -analytic -2.8207e+002 -5.3713e-002 9.5343e+003 1.0396e+002 1.4886e+002 + -analytic -2.8207e+2 -5.3713e-2 9.5343e+3 1.0396e+2 1.4886e+2 # -Range: 0-300 -2.0000 HCO3- + 1.0000 Ag+ = Ag(CO3)2--- +2.0000 H+ - -llnl_gamma 4.0 - log_k -18.5062 - -delta_H 1.34306 kJ/mol # Calculated enthalpy of reaction Ag(CO3)2-3 +2 HCO3- + Ag+ = Ag(CO3)2-3 + 2 H+ + -llnl_gamma 4 + log_k -18.5062 + -delta_H 1.34306 kJ/mol # Calculated enthalpy of reaction Ag(CO3)2-3 # Enthalpy of formation: -304.2 kcal/mol - -analytic -1.6671e+002 -4.5571e-002 3.7190e+003 6.0341e+001 5.8080e+001 + -analytic -1.6671e+2 -4.5571e-2 3.719e+3 6.0341e+1 5.808e+1 # -Range: 0-300 -1.0000 Ag+ + 1.0000 HAcetate = AgAcetate +1.0000 H+ - -llnl_gamma 3.0 - log_k -4.0264 - -delta_H -3.4518 kJ/mol # Calculated enthalpy of reaction AgAcetate +Ag+ + HAcetate = AgAcetate + H+ + -llnl_gamma 3 + log_k -4.0264 + -delta_H -3.4518 kJ/mol # Calculated enthalpy of reaction AgAcetate # Enthalpy of formation: -91.65 kcal/mol - -analytic 6.9069e+000 -1.9415e-003 -1.9953e+003 -2.6175e+000 2.5092e+005 + -analytic 6.9069e+0 -1.9415e-3 -1.9953e+3 -2.6175e+0 2.5092e+5 # -Range: 0-300 -1.0000 HCO3- + 1.0000 Ag+ = AgCO3- +1.0000 H+ - -llnl_gamma 4.0 - log_k -7.6416 - -delta_H -8.27177 kJ/mol # Calculated enthalpy of reaction AgCO3- +HCO3- + Ag+ = AgCO3- + H+ + -llnl_gamma 4 + log_k -7.6416 + -delta_H -8.27177 kJ/mol # Calculated enthalpy of reaction AgCO3- # Enthalpy of formation: -141.6 kcal/mol - -analytic 6.5598e+000 -1.6477e-004 -4.7079e+002 -5.0807e+000 -7.3484e+000 + -analytic 6.5598e+0 -1.6477e-4 -4.7079e+2 -5.0807e+0 -7.3484e+0 # -Range: 0-300 -1.0000 Cl- + 1.0000 Ag+ = AgCl - -llnl_gamma 3.0 - log_k +3.2971 - -delta_H -15.1126 kJ/mol # Calculated enthalpy of reaction AgCl +Cl- + Ag+ = AgCl + -llnl_gamma 3 + log_k 3.2971 + -delta_H -15.1126 kJ/mol # Calculated enthalpy of reaction AgCl # Enthalpy of formation: -18.27 kcal/mol - -analytic 1.0904e+002 3.5492e-002 -1.8455e+003 -4.4502e+001 -2.8830e+001 + -analytic 1.0904e+2 3.5492e-2 -1.8455e+3 -4.4502e+1 -2.883e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Ag+ = AgCl2- - -llnl_gamma 4.0 - log_k +5.2989 - -delta_H -27.3592 kJ/mol # Calculated enthalpy of reaction AgCl2- +2 Cl- + Ag+ = AgCl2- + -llnl_gamma 4 + log_k 5.2989 + -delta_H -27.3592 kJ/mol # Calculated enthalpy of reaction AgCl2- # Enthalpy of formation: -61.13 kcal/mol - -analytic 9.2164e+001 4.0261e-002 -1.6597e+002 -3.9721e+001 -2.6171e+000 + -analytic 9.2164e+1 4.0261e-2 -1.6597e+2 -3.9721e+1 -2.6171e+0 # -Range: 0-300 -3.0000 Cl- + 1.0000 Ag+ = AgCl3-- - -llnl_gamma 4.0 - log_k +5.1310 - -delta_H -47.7645 kJ/mol # Calculated enthalpy of reaction AgCl3-2 +3 Cl- + Ag+ = AgCl3-2 + -llnl_gamma 4 + log_k 5.131 + -delta_H -47.7645 kJ/mol # Calculated enthalpy of reaction AgCl3-2 # Enthalpy of formation: -105.94 kcal/mol - -analytic 4.3732e+000 2.9568e-002 3.9818e+003 -8.6428e+000 6.2131e+001 + -analytic 4.3732e+0 2.9568e-2 3.9818e+3 -8.6428e+0 6.2131e+1 # -Range: 0-300 -4.0000 Cl- + 1.0000 Ag+ = AgCl4--- - -llnl_gamma 4.0 - log_k +3.8050 - -delta_H -32.4804 kJ/mol # Calculated enthalpy of reaction AgCl4-3 +4 Cl- + Ag+ = AgCl4-3 + -llnl_gamma 4 + log_k 3.805 + -delta_H -32.4804 kJ/mol # Calculated enthalpy of reaction AgCl4-3 # Enthalpy of formation: -142.22 kcal/mol - -analytic -1.6176e+001 2.9523e-002 0.0000e+000 0.0000e+000 9.9602e+005 + -analytic -1.6176e+1 2.9523e-2 0e+0 0e+0 9.9602e+5 # -Range: 0-300 -1.0000 F- + 1.0000 Ag+ = AgF - -llnl_gamma 3.0 - log_k -0.1668 - -delta_H -9.298 kJ/mol # Calculated enthalpy of reaction AgF +F- + Ag+ = AgF + -llnl_gamma 3 + log_k -0.1668 + -delta_H -9.298 kJ/mol # Calculated enthalpy of reaction AgF # Enthalpy of formation: -238.895 kJ/mol - -analytic -6.6024e+001 -2.2350e-002 1.9514e+003 2.6663e+001 3.3160e+001 + -analytic -6.6024e+1 -2.235e-2 1.9514e+3 2.6663e+1 3.316e+1 # -Range: 0-200 -1.0000 NO3- + 1.0000 Ag+ = AgNO3 - -llnl_gamma 3.0 - log_k -0.1979 - -delta_H 4.45178 kJ/mol # Calculated enthalpy of reaction AgNO3 +NO3- + Ag+ = AgNO3 + -llnl_gamma 3 + log_k -0.1979 + -delta_H 4.45178 kJ/mol # Calculated enthalpy of reaction AgNO3 # Enthalpy of formation: -23.09 kcal/mol - -analytic 7.3866e+001 2.6050e-002 -1.5923e+003 -3.0904e+001 -2.4868e+001 + -analytic 7.3866e+1 2.605e-2 -1.5923e+3 -3.0904e+1 -2.4868e+1 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Al+++ = Al(Acetate)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -5.595 - -delta_H -46.8566 kJ/mol # Calculated enthalpy of reaction Al(Acetate)2+ +2 HAcetate + Al+3 = Al(Acetate)2+ + 2 H+ + -llnl_gamma 4 + log_k -5.595 + -delta_H -46.8566 kJ/mol # Calculated enthalpy of reaction Al(Acetate)2+ # Enthalpy of formation: -372.08 kcal/mol - -analytic -4.2528e+001 2.1431e-003 3.1658e+002 1.1585e+001 5.8604e+005 + -analytic -4.2528e+1 2.1431e-3 3.1658e+2 1.1585e+1 5.8604e+5 # -Range: 0-300 -2.0000 H2O + 1.0000 Al+++ = Al(OH)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -10.5945 - -delta_H 98.2822 kJ/mol # Calculated enthalpy of reaction Al(OH)2+ +2 H2O + Al+3 = Al(OH)2+ + 2 H+ + -llnl_gamma 4 + log_k -10.5945 + -delta_H 98.2822 kJ/mol # Calculated enthalpy of reaction Al(OH)2+ # Enthalpy of formation: -241.825 kcal/mol - -analytic 4.4036e+001 2.0168e-002 -5.5455e+003 -1.6987e+001 -8.6545e+001 -# -Range: 0-300 - -2.0000 SO4-- + 1.0000 Al+++ = Al(SO4)2- - -llnl_gamma 4.0 - log_k +4.9000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Al(SO4)2- -# Enthalpy of formation: -0 kcal/mol - -28.0000 H2O + 13.0000 Al+++ = Al13O4(OH)24+7 +32.0000 H+ - -llnl_gamma 6.0 - log_k -98.73 - -delta_H 0 # Not possible to calculate enthalpy of reaction Al13O4(OH)24+7 -# Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 2.0000 Al+++ = Al2(OH)2++++ +2.0000 H+ - -llnl_gamma 5.5 - log_k -7.6902 - -delta_H 0 # Not possible to calculate enthalpy of reaction Al2(OH)2+4 -# Enthalpy of formation: -0 kcal/mol - -4.0000 H2O + 3.0000 Al+++ = Al3(OH)4+5 +4.0000 H+ - -llnl_gamma 6.0 - log_k -13.8803 - -delta_H 0 # Not possible to calculate enthalpy of reaction Al3(OH)4+5 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Al+++ + 1.0000 HAcetate = AlAcetate++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -2.6923 - -delta_H -18.1962 kJ/mol # Calculated enthalpy of reaction AlAcetate+2 + -analytic 4.4036e+1 2.0168e-2 -5.5455e+3 -1.6987e+1 -8.6545e+1 +# -Range: 0-300 + +2 SO4-2 + Al+3 = Al(SO4)2- + -llnl_gamma 4 + log_k 4.9 + -delta_H 0 # Not possible to calculate enthalpy of reaction Al(SO4)2- +# Enthalpy of formation: -0 kcal/mol + +28 H2O + 13 Al+3 = Al13O4(OH)24+7 + 32 H+ + -llnl_gamma 6 + log_k -98.73 + -delta_H 0 # Not possible to calculate enthalpy of reaction Al13O4(OH)24+7 +# Enthalpy of formation: -0 kcal/mol + +2 H2O + 2 Al+3 = Al2(OH)2+4 + 2 H+ + -llnl_gamma 5.5 + log_k -7.6902 + -delta_H 0 # Not possible to calculate enthalpy of reaction Al2(OH)2+4 +# Enthalpy of formation: -0 kcal/mol + +4 H2O + 3 Al+3 = Al3(OH)4+5 + 4 H+ + -llnl_gamma 6 + log_k -13.8803 + -delta_H 0 # Not possible to calculate enthalpy of reaction Al3(OH)4+5 +# Enthalpy of formation: -0 kcal/mol + +Al+3 + HAcetate = AlAcetate+2 + H+ + -llnl_gamma 4.5 + log_k -2.6923 + -delta_H -18.1962 kJ/mol # Calculated enthalpy of reaction AlAcetate+2 # Enthalpy of formation: -249.13 kcal/mol - -analytic -1.9847e+001 2.0058e-003 -2.3653e+002 5.5454e+000 3.2362e+005 -# -Range: 0-300 - -1.0000 F- + 1.0000 Al+++ = AlF++ - -llnl_gamma 4.5 - log_k +7.0000 - -delta_H 0 # Not possible to calculate enthalpy of reaction AlF+2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 F- + 1.0000 Al+++ = AlF2+ - -llnl_gamma 4.0 - log_k +12.6000 - -delta_H 0 # Not possible to calculate enthalpy of reaction AlF2+ -# Enthalpy of formation: -0 kcal/mol - -3.0000 F- + 1.0000 Al+++ = AlF3 - -llnl_gamma 3.0 - log_k +16.7000 - -delta_H 0 # Not possible to calculate enthalpy of reaction AlF3 -# Enthalpy of formation: -0 kcal/mol - -4.0000 F- + 1.0000 Al+++ = AlF4- - -llnl_gamma 4.0 - log_k +19.1000 - -delta_H 0 # Not possible to calculate enthalpy of reaction AlF4- -# Enthalpy of formation: -0 kcal/mol - -1.0000 HPO4-- + 1.0000 H+ + 1.0000 Al+++ = AlH2PO4++ - -llnl_gamma 4.5 - log_k +3.1000 - -delta_H 0 # Not possible to calculate enthalpy of reaction AlH2PO4+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 HPO4-- + 1.0000 Al+++ = AlHPO4+ - -llnl_gamma 4.0 - log_k +7.4000 - -delta_H 0 # Not possible to calculate enthalpy of reaction AlHPO4+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 Al+++ = AlO2- +4.0000 H+ - -llnl_gamma 4.0 - log_k -22.8833 - -delta_H 180.899 kJ/mol # Calculated enthalpy of reaction AlO2- + -analytic -1.9847e+1 2.0058e-3 -2.3653e+2 5.5454e+0 3.2362e+5 +# -Range: 0-300 + +F- + Al+3 = AlF+2 + -llnl_gamma 4.5 + log_k 7 + -delta_H 0 # Not possible to calculate enthalpy of reaction AlF+2 +# Enthalpy of formation: -0 kcal/mol + +2 F- + Al+3 = AlF2+ + -llnl_gamma 4 + log_k 12.6 + -delta_H 0 # Not possible to calculate enthalpy of reaction AlF2+ +# Enthalpy of formation: -0 kcal/mol + +3 F- + Al+3 = AlF3 + -llnl_gamma 3 + log_k 16.7 + -delta_H 0 # Not possible to calculate enthalpy of reaction AlF3 +# Enthalpy of formation: -0 kcal/mol + +4 F- + Al+3 = AlF4- + -llnl_gamma 4 + log_k 19.1 + -delta_H 0 # Not possible to calculate enthalpy of reaction AlF4- +# Enthalpy of formation: -0 kcal/mol + +HPO4-2 + H+ + Al+3 = AlH2PO4+2 + -llnl_gamma 4.5 + log_k 3.1 + -delta_H 0 # Not possible to calculate enthalpy of reaction AlH2PO4+2 +# Enthalpy of formation: -0 kcal/mol + +HPO4-2 + Al+3 = AlHPO4+ + -llnl_gamma 4 + log_k 7.4 + -delta_H 0 # Not possible to calculate enthalpy of reaction AlHPO4+ +# Enthalpy of formation: -0 kcal/mol + +2 H2O + Al+3 = AlO2- + 4 H+ + -llnl_gamma 4 + log_k -22.8833 + -delta_H 180.899 kJ/mol # Calculated enthalpy of reaction AlO2- # Enthalpy of formation: -222.079 kcal/mol - -analytic 1.0803e+001 -3.4379e-003 -9.7391e+003 0.0000e+000 0.0000e+000 + -analytic 1.0803e+1 -3.4379e-3 -9.7391e+3 0e+0 0e+0 # -Range: 0-300 -1.0000 H2O + 1.0000 Al+++ = AlOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -4.9571 - -delta_H 49.798 kJ/mol # Calculated enthalpy of reaction AlOH+2 +H2O + Al+3 = AlOH+2 + H+ + -llnl_gamma 4.5 + log_k -4.9571 + -delta_H 49.798 kJ/mol # Calculated enthalpy of reaction AlOH+2 # Enthalpy of formation: -185.096 kcal/mol - -analytic -2.6224e-001 8.8816e-003 -1.8686e+003 -4.3195e-001 -2.9158e+001 -# -Range: 0-300 - -1.0000 SO4-- + 1.0000 Al+++ = AlSO4+ - -llnl_gamma 4.0 - log_k +3.0100 - -delta_H 0 # Not possible to calculate enthalpy of reaction AlSO4+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 HCO3- + 1.0000 Am+++ = Am(CO3)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -8.3868 - -delta_H 0 # Not possible to calculate enthalpy of reaction Am(CO3)2- -# Enthalpy of formation: -0 kcal/mol - -3.0000 HCO3- + 1.0000 Am+++ = Am(CO3)3--- +3.0000 H+ - -llnl_gamma 4.0 - log_k -15.8302 - -delta_H 0 # Not possible to calculate enthalpy of reaction Am(CO3)3-3 -# Enthalpy of formation: -0 kcal/mol - -5.0000 HCO3- + 1.0000 Am++++ = Am(CO3)5-6 +5.0000 H+ - -llnl_gamma 4.0 - log_k -12.409 - -delta_H 0 # Not possible to calculate enthalpy of reaction Am(CO3)5-6 -# Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 Am+++ = Am(OH)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -14.1145 - -delta_H 0 # Not possible to calculate enthalpy of reaction Am(OH)2+ -# Enthalpy of formation: -0 kcal/mol - -3.0000 H2O + 1.0000 Am+++ = Am(OH)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -25.7218 - -delta_H 0 # Not possible to calculate enthalpy of reaction Am(OH)3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 Am+++ = Am(SO4)2- - -llnl_gamma 4.0 - log_k +5.2407 - -delta_H 0 # Not possible to calculate enthalpy of reaction Am(SO4)2- -# Enthalpy of formation: -0 kcal/mol - -1.0000 HCO3- + 1.0000 Am+++ = AmCO3+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.5434 - -delta_H 0 # Not possible to calculate enthalpy of reaction AmCO3+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Cl- + 1.0000 Am+++ = AmCl++ - -llnl_gamma 4.5 - log_k +1.0374 - -delta_H 0 # Not possible to calculate enthalpy of reaction AmCl+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 F- + 1.0000 Am+++ = AmF++ - -llnl_gamma 4.5 - log_k +3.3601 - -delta_H 0 # Not possible to calculate enthalpy of reaction AmF+2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 F- + 1.0000 Am+++ = AmF2+ - -llnl_gamma 4.0 - log_k +5.7204 - -delta_H 0 # Not possible to calculate enthalpy of reaction AmF2+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 HPO4-- + 1.0000 H+ + 1.0000 Am+++ = AmH2PO4++ - -llnl_gamma 4.5 - log_k +11.4119 - -delta_H 0 # Not possible to calculate enthalpy of reaction AmH2PO4+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 N3- + 1.0000 Am+++ = AmN3++ - -llnl_gamma 4.5 - log_k +1.6699 - -delta_H 0 # Not possible to calculate enthalpy of reaction AmN3+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 NO3- + 1.0000 Am+++ = AmNO3++ - -llnl_gamma 4.5 - log_k +1.3104 - -delta_H 0 # Not possible to calculate enthalpy of reaction AmNO3+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 H2O + 1.0000 Am+++ = AmOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -6.4072 - -delta_H 0 # Not possible to calculate enthalpy of reaction AmOH+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Am+++ = AmSO4+ - -llnl_gamma 4.0 - log_k +3.7703 - -delta_H 0 # Not possible to calculate enthalpy of reaction AmSO4+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 H2AsO3- + 1.0000 H+ = As(OH)3 - -llnl_gamma 3.0 - log_k +9.2048 - -delta_H -27.4054 kJ/mol # Calculated enthalpy of reaction As(OH)3 + -analytic -2.6224e-1 8.8816e-3 -1.8686e+3 -4.3195e-1 -2.9158e+1 +# -Range: 0-300 + +SO4-2 + Al+3 = AlSO4+ + -llnl_gamma 4 + log_k 3.01 + -delta_H 0 # Not possible to calculate enthalpy of reaction AlSO4+ +# Enthalpy of formation: -0 kcal/mol + +2 HCO3- + Am+3 = Am(CO3)2- + 2 H+ + -llnl_gamma 4 + log_k -8.3868 + -delta_H 0 # Not possible to calculate enthalpy of reaction Am(CO3)2- +# Enthalpy of formation: -0 kcal/mol + +3 HCO3- + Am+3 = Am(CO3)3-3 + 3 H+ + -llnl_gamma 4 + log_k -15.8302 + -delta_H 0 # Not possible to calculate enthalpy of reaction Am(CO3)3-3 +# Enthalpy of formation: -0 kcal/mol + +5 HCO3- + Am+4 = Am(CO3)5-6 + 5 H+ + -llnl_gamma 4 + log_k -12.409 + -delta_H 0 # Not possible to calculate enthalpy of reaction Am(CO3)5-6 +# Enthalpy of formation: -0 kcal/mol + +2 H2O + Am+3 = Am(OH)2+ + 2 H+ + -llnl_gamma 4 + log_k -14.1145 + -delta_H 0 # Not possible to calculate enthalpy of reaction Am(OH)2+ +# Enthalpy of formation: -0 kcal/mol + +3 H2O + Am+3 = Am(OH)3 + 3 H+ + -llnl_gamma 3 + log_k -25.7218 + -delta_H 0 # Not possible to calculate enthalpy of reaction Am(OH)3 +# Enthalpy of formation: -0 kcal/mol + +2 SO4-2 + Am+3 = Am(SO4)2- + -llnl_gamma 4 + log_k 5.2407 + -delta_H 0 # Not possible to calculate enthalpy of reaction Am(SO4)2- +# Enthalpy of formation: -0 kcal/mol + +HCO3- + Am+3 = AmCO3+ + H+ + -llnl_gamma 4 + log_k -2.5434 + -delta_H 0 # Not possible to calculate enthalpy of reaction AmCO3+ +# Enthalpy of formation: -0 kcal/mol + +Cl- + Am+3 = AmCl+2 + -llnl_gamma 4.5 + log_k 1.0374 + -delta_H 0 # Not possible to calculate enthalpy of reaction AmCl+2 +# Enthalpy of formation: -0 kcal/mol + +F- + Am+3 = AmF+2 + -llnl_gamma 4.5 + log_k 3.3601 + -delta_H 0 # Not possible to calculate enthalpy of reaction AmF+2 +# Enthalpy of formation: -0 kcal/mol + +2 F- + Am+3 = AmF2+ + -llnl_gamma 4 + log_k 5.7204 + -delta_H 0 # Not possible to calculate enthalpy of reaction AmF2+ +# Enthalpy of formation: -0 kcal/mol + +HPO4-2 + H+ + Am+3 = AmH2PO4+2 + -llnl_gamma 4.5 + log_k 11.4119 + -delta_H 0 # Not possible to calculate enthalpy of reaction AmH2PO4+2 +# Enthalpy of formation: -0 kcal/mol + +N3- + Am+3 = AmN3+2 + -llnl_gamma 4.5 + log_k 1.6699 + -delta_H 0 # Not possible to calculate enthalpy of reaction AmN3+2 +# Enthalpy of formation: -0 kcal/mol + +NO3- + Am+3 = AmNO3+2 + -llnl_gamma 4.5 + log_k 1.3104 + -delta_H 0 # Not possible to calculate enthalpy of reaction AmNO3+2 +# Enthalpy of formation: -0 kcal/mol + +H2O + Am+3 = AmOH+2 + H+ + -llnl_gamma 4.5 + log_k -6.4072 + -delta_H 0 # Not possible to calculate enthalpy of reaction AmOH+2 +# Enthalpy of formation: -0 kcal/mol + +SO4-2 + Am+3 = AmSO4+ + -llnl_gamma 4 + log_k 3.7703 + -delta_H 0 # Not possible to calculate enthalpy of reaction AmSO4+ +# Enthalpy of formation: -0 kcal/mol + +H2AsO3- + H+ = As(OH)3 + -llnl_gamma 3 + log_k 9.2048 + -delta_H -27.4054 kJ/mol # Calculated enthalpy of reaction As(OH)3 # Enthalpy of formation: -742.2 kJ/mol - -analytic 1.3020e+002 4.7513e-002 -1.1999e+003 -5.2993e+001 -2.0422e+001 + -analytic 1.302e+2 4.7513e-2 -1.1999e+3 -5.2993e+1 -2.0422e+1 # -Range: 0-200 -1.0000 H2AsO3- = AsO2- +1.0000 H2O - -llnl_gamma 4.0 - log_k 0.0111 - -delta_H 0 # Not possible to calculate enthalpy of reaction AsO2- +H2AsO3- = AsO2- + H2O + -llnl_gamma 4 + log_k 0.0111 + -delta_H 0 # Not possible to calculate enthalpy of reaction AsO2- # Enthalpy of formation: -0 kcal/mol - -analytic -2.1509e+001 -1.7680e-002 -1.9261e+001 1.0841e+001 -2.9404e-001 + -analytic -2.1509e+1 -1.768e-2 -1.9261e+1 1.0841e+1 -2.9404e-1 # -Range: 0-300 -1.0000 H2AsO3- = AsO2OH-- +1.0000 H+ - -llnl_gamma 4.0 - log_k -11.0171 - -delta_H 25.514 kJ/mol # Calculated enthalpy of reaction AsO2OH-2 +H2AsO3- = AsO2OH-2 + H+ + -llnl_gamma 4 + log_k -11.0171 + -delta_H 25.514 kJ/mol # Calculated enthalpy of reaction AsO2OH-2 # Enthalpy of formation: -164.742 kcal/mol - -analytic 1.4309e+002 1.8620e-002 -6.8596e+003 -5.5222e+001 -1.0708e+002 + -analytic 1.4309e+2 1.862e-2 -6.8596e+3 -5.5222e+1 -1.0708e+2 # -Range: 0-300 -1.0000 H2AsO4- + 1.0000 F- = AsO3F-- +1.0000 H2O - -llnl_gamma 4.0 - log_k +40.2451 - -delta_H 0 # Not possible to calculate enthalpy of reaction AsO3F-2 +H2AsO4- + F- = AsO3F-2 + H2O + -llnl_gamma 4 + log_k 40.2451 + -delta_H 0 # Not possible to calculate enthalpy of reaction AsO3F-2 # Enthalpy of formation: -0 kcal/mol - -1.0000 H2AsO4- = AsO4--- +2.0000 H+ - -llnl_gamma 4.0 - log_k -18.3604 - -delta_H 21.4198 kJ/mol # Calculated enthalpy of reaction AsO4-3 + +H2AsO4- = AsO4-3 + 2 H+ + -llnl_gamma 4 + log_k -18.3604 + -delta_H 21.4198 kJ/mol # Calculated enthalpy of reaction AsO4-3 # Enthalpy of formation: -888.14 kJ/mol - -analytic -2.4979e+001 -1.2761e-002 2.8369e+003 3.4878e+000 -6.8736e+005 + -analytic -2.4979e+1 -1.2761e-2 2.8369e+3 3.4878e+0 -6.8736e+5 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Au+ = Au(Acetate)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -9.0013 - -delta_H -8.91192 kJ/mol # Calculated enthalpy of reaction Au(Acetate)2- +2 HAcetate + Au+ = Au(Acetate)2- + 2 H+ + -llnl_gamma 4 + log_k -9.0013 + -delta_H -8.91192 kJ/mol # Calculated enthalpy of reaction Au(Acetate)2- # Enthalpy of formation: -186.75 kcal/mol - -analytic -2.2338e+002 -4.6312e-002 7.0942e+003 8.2606e+001 1.1076e+002 + -analytic -2.2338e+2 -4.6312e-2 7.0942e+3 8.2606e+1 1.1076e+2 # -Range: 0-300 -1.0000 Au+ + 1.0000 HAcetate = AuAcetate +1.0000 H+ - -llnl_gamma 3.0 - log_k -4.3174 - -delta_H 0.87864 kJ/mol # Calculated enthalpy of reaction AuAcetate +Au+ + HAcetate = AuAcetate + H+ + -llnl_gamma 3 + log_k -4.3174 + -delta_H 0.87864 kJ/mol # Calculated enthalpy of reaction AuAcetate # Enthalpy of formation: -68.31 kcal/mol - -analytic -1.1812e+000 -4.1120e-003 -1.4752e+003 4.5665e-001 1.7019e+005 + -analytic -1.1812e+0 -4.112e-3 -1.4752e+3 4.5665e-1 1.7019e+5 # -Range: 0-300 -2.0000 B(OH)3 = B2O(OH)5- +1.0000 H+ - -llnl_gamma 4.0 - log_k -18.6851 - -delta_H 0 # Not possible to calculate enthalpy of reaction B2O(OH)5- +2 B(OH)3 = B2O(OH)5- + H+ + -llnl_gamma 4 + log_k -18.6851 + -delta_H 0 # Not possible to calculate enthalpy of reaction B2O(OH)5- # Enthalpy of formation: -0 kcal/mol - -2.0000 F- + 1.0000 H+ + 1.0000 B(OH)3 = BF2(OH)2- +1.0000 H2O - -llnl_gamma 4.0 - log_k +6.6174 - -delta_H 0 # Not possible to calculate enthalpy of reaction BF2(OH)2- + +2 F- + H+ + B(OH)3 = BF2(OH)2- + H2O + -llnl_gamma 4 + log_k 6.6174 + -delta_H 0 # Not possible to calculate enthalpy of reaction BF2(OH)2- # Enthalpy of formation: -0 kcal/mol - -3.0000 F- + 2.0000 H+ + 1.0000 B(OH)3 = BF3OH- +2.0000 H2O - -llnl_gamma 4.0 - log_k +13.1908 - -delta_H -178.577 kJ/mol # Calculated enthalpy of reaction BF3OH- + +3 F- + 2 H+ + B(OH)3 = BF3OH- + 2 H2O + -llnl_gamma 4 + log_k 13.1908 + -delta_H -178.577 kJ/mol # Calculated enthalpy of reaction BF3OH- # Enthalpy of formation: -403.317 kcal/mol - -analytic 3.3411e+002 -3.7303e-002 -8.6507e+003 -1.1345e+002 -1.3508e+002 + -analytic 3.3411e+2 -3.7303e-2 -8.6507e+3 -1.1345e+2 -1.3508e+2 # -Range: 0-300 -4.0000 F- + 3.0000 H+ + 1.0000 B(OH)3 = BF4- +3.0000 H2O - -llnl_gamma 4.0 - log_k +18.0049 - -delta_H -16.4473 kJ/mol # Calculated enthalpy of reaction BF4- +4 F- + 3 H+ + B(OH)3 = BF4- + 3 H2O + -llnl_gamma 4 + log_k 18.0049 + -delta_H -16.4473 kJ/mol # Calculated enthalpy of reaction BF4- # Enthalpy of formation: -376.4 kcal/mol - -analytic 2.5491e+002 1.0443e-001 -3.3332e+003 -1.0378e+002 -5.2087e+001 + -analytic 2.5491e+2 1.0443e-1 -3.3332e+3 -1.0378e+2 -5.2087e+1 # -Range: 0-300 -1.0000 B(OH)3 = BO2- +1.0000 H+ +1.0000 H2O - -llnl_gamma 4.0 - log_k -9.2449 - -delta_H 16.3302 kJ/mol # Calculated enthalpy of reaction BO2- +B(OH)3 = BO2- + H+ + H2O + -llnl_gamma 4 + log_k -9.2449 + -delta_H 16.3302 kJ/mol # Calculated enthalpy of reaction BO2- # Enthalpy of formation: -184.6 kcal/mol - -analytic -1.0500e+002 -3.3447e-002 1.4706e+003 4.0724e+001 2.2978e+001 + -analytic -1.05e+2 -3.3447e-2 1.4706e+3 4.0724e+1 2.2978e+1 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Ba++ = Ba(Acetate)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -8.0118 - -delta_H 11.255 kJ/mol # Calculated enthalpy of reaction Ba(Acetate)2 +2 HAcetate + Ba+2 = Ba(Acetate)2 + 2 H+ + -llnl_gamma 3 + log_k -8.0118 + -delta_H 11.255 kJ/mol # Calculated enthalpy of reaction Ba(Acetate)2 # Enthalpy of formation: -358.01 kcal/mol - -analytic -1.4566e+001 3.1394e-004 -3.9564e+003 5.1906e+000 6.1407e+005 + -analytic -1.4566e+1 3.1394e-4 -3.9564e+3 5.1906e+0 6.1407e+5 # -Range: 0-300 -1.0000 O_phthalate-2 + 1.0000 Ba++ = Ba(O_phthalate) - -llnl_gamma 3.0 - log_k +2.3300 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ba(O_phthalate) +O_phthalate-2 + Ba+2 = Ba(O_phthalate) + -llnl_gamma 3 + log_k 2.33 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ba(O_phthalate) # Enthalpy of formation: -0 kcal/mol - -1.0000 H2O + 1.0000 Ba++ + 1.0000 B(OH)3 = BaB(OH)4+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -7.8012 - -delta_H 0 # Not possible to calculate enthalpy of reaction BaB(OH)4+ + +H2O + Ba+2 + B(OH)3 = BaB(OH)4+ + H+ + -llnl_gamma 4 + log_k -7.8012 + -delta_H 0 # Not possible to calculate enthalpy of reaction BaB(OH)4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 Ba++ + 1.0000 HAcetate = BaAcetate+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -3.7677 - -delta_H 7.322 kJ/mol # Calculated enthalpy of reaction BaAcetate+ + +Ba+2 + HAcetate = BaAcetate+ + H+ + -llnl_gamma 4 + log_k -3.7677 + -delta_H 7.322 kJ/mol # Calculated enthalpy of reaction BaAcetate+ # Enthalpy of formation: -242.85 kcal/mol - -analytic -1.5623e+001 2.9282e-003 -3.9534e+002 4.3959e+000 1.2829e+005 + -analytic -1.5623e+1 2.9282e-3 -3.9534e+2 4.3959e+0 1.2829e+5 # -Range: 0-300 -1.0000 HCO3- + 1.0000 Ba++ = BaCO3 +1.0000 H+ - -llnl_gamma 3.0 - log_k -7.6834 - -delta_H 31.5808 kJ/mol # Calculated enthalpy of reaction BaCO3 +HCO3- + Ba+2 = BaCO3 + H+ + -llnl_gamma 3 + log_k -7.6834 + -delta_H 31.5808 kJ/mol # Calculated enthalpy of reaction BaCO3 # Enthalpy of formation: -285.85 kcal/mol - -analytic 2.1878e+002 5.2368e-002 -8.2472e+003 -8.6644e+001 -1.2875e+002 + -analytic 2.1878e+2 5.2368e-2 -8.2472e+3 -8.6644e+1 -1.2875e+2 # -Range: 0-300 -1.0000 Cl- + 1.0000 Ba++ = BaCl+ - -llnl_gamma 4.0 - log_k -0.4977 - -delta_H 11.142 kJ/mol # Calculated enthalpy of reaction BaCl+ +Cl- + Ba+2 = BaCl+ + -llnl_gamma 4 + log_k -0.4977 + -delta_H 11.142 kJ/mol # Calculated enthalpy of reaction BaCl+ # Enthalpy of formation: -165.77 kcal/mol - -analytic 1.1016e+002 4.2325e-002 -2.8039e+003 -4.6010e+001 -4.3785e+001 + -analytic 1.1016e+2 4.2325e-2 -2.8039e+3 -4.601e+1 -4.3785e+1 # -Range: 0-300 -1.0000 F- + 1.0000 Ba++ = BaF+ - -llnl_gamma 4.0 - log_k -0.1833 - -delta_H 8.95376 kJ/mol # Calculated enthalpy of reaction BaF+ +F- + Ba+2 = BaF+ + -llnl_gamma 4 + log_k -0.1833 + -delta_H 8.95376 kJ/mol # Calculated enthalpy of reaction BaF+ # Enthalpy of formation: -206.51 kcal/mol - -analytic 1.0349e+002 4.0336e-002 -2.5195e+003 -4.3334e+001 -3.9346e+001 + -analytic 1.0349e+2 4.0336e-2 -2.5195e+3 -4.3334e+1 -3.9346e+1 # -Range: 0-300 -1.0000 NO3- + 1.0000 Ba++ = BaNO3+ - -llnl_gamma 4.0 - log_k +0.9000 - -delta_H 0 # Not possible to calculate enthalpy of reaction BaNO3+ +NO3- + Ba+2 = BaNO3+ + -llnl_gamma 4 + log_k 0.9 + -delta_H 0 # Not possible to calculate enthalpy of reaction BaNO3+ # Enthalpy of formation: -0 kcal/mol - -1.0000 H2O + 1.0000 Ba++ = BaOH+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -13.47 - -delta_H 0 # Not possible to calculate enthalpy of reaction BaOH+ + +H2O + Ba+2 = BaOH+ + H+ + -llnl_gamma 4 + log_k -13.47 + -delta_H 0 # Not possible to calculate enthalpy of reaction BaOH+ # Enthalpy of formation: -0 kcal/mol - -2.0000 HAcetate + 1.0000 Be++ = Be(Acetate)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -6.8023 - -delta_H -52.4255 kJ/mol # Calculated enthalpy of reaction Be(Acetate)2 + +2 HAcetate + Be+2 = Be(Acetate)2 + 2 H+ + -llnl_gamma 3 + log_k -6.8023 + -delta_H -52.4255 kJ/mol # Calculated enthalpy of reaction Be(Acetate)2 # Enthalpy of formation: -336.23 kcal/mol - -analytic -3.5242e+001 5.1285e-003 -4.8914e+002 8.2862e+000 7.1774e+005 + -analytic -3.5242e+1 5.1285e-3 -4.8914e+2 8.2862e+0 7.1774e+5 # -Range: 0-300 -1.0000 Be++ + 1.0000 HAcetate = BeAcetate+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -3.1079 - -delta_H -22.761 kJ/mol # Calculated enthalpy of reaction BeAcetate+ +Be+2 + HAcetate = BeAcetate+ + H+ + -llnl_gamma 4 + log_k -3.1079 + -delta_H -22.761 kJ/mol # Calculated enthalpy of reaction BeAcetate+ # Enthalpy of formation: -213.04 kcal/mol - -analytic -1.9418e+001 5.2172e-004 -8.5071e+001 5.2755e+000 3.0215e+005 + -analytic -1.9418e+1 5.2172e-4 -8.5071e+1 5.2755e+0 3.0215e+5 # -Range: 0-300 -2.0000 H2O + 1.0000 Be++ = BeO2-- +4.0000 H+ - -llnl_gamma 4.0 - log_k -32.161 - -delta_H 163.737 kJ/mol # Calculated enthalpy of reaction BeO2-2 +2 H2O + Be+2 = BeO2-2 + 4 H+ + -llnl_gamma 4 + log_k -32.161 + -delta_H 163.737 kJ/mol # Calculated enthalpy of reaction BeO2-2 # Enthalpy of formation: -189 kcal/mol - -analytic 7.0860e+000 -3.8474e-002 -1.1400e+004 4.2138e+000 -1.7789e+002 + -analytic 7.086e+0 -3.8474e-2 -1.14e+4 4.2138e+0 -1.7789e+2 # -Range: 0-300 -2.0000 H+ + 2.0000 Br- + 0.5000 O2 = Br2 +1.0000 H2O - -llnl_gamma 3.0 - log_k +5.6834 - -delta_H 0 # Not possible to calculate enthalpy of reaction Br2 +2 H+ + 2 Br- + 0.5 O2 = Br2 + H2O + -llnl_gamma 3 + log_k 5.6834 + -delta_H 0 # Not possible to calculate enthalpy of reaction Br2 # Enthalpy of formation: -0 kcal/mol - -1.0000 HCO3- + 1.0000 H+ = CO2 +1.0000 H2O + +HCO3- + H+ = CO2 + H2O -CO2_llnl_gamma - log_k +6.3447 - -delta_H -9.7027 kJ/mol # Calculated enthalpy of reaction CO2 + log_k 6.3447 + -delta_H -9.7027 kJ/mol # Calculated enthalpy of reaction CO2 # Enthalpy of formation: -98.9 kcal/mol - -analytic -1.0534e+001 2.1746e-002 2.5216e+003 7.9125e-001 3.9351e+001 + -analytic -1.0534e+1 2.1746e-2 2.5216e+3 7.9125e-1 3.9351e+1 # -Range: 0-300 -1.0000 HCO3- = CO3-- +1.0000 H+ - -llnl_gamma 4.5 - log_k -10.3288 - -delta_H 14.6984 kJ/mol # Calculated enthalpy of reaction CO3-2 +HCO3- = CO3-2 + H+ + -llnl_gamma 4.5 + log_k -10.3288 + -delta_H 14.6984 kJ/mol # Calculated enthalpy of reaction CO3-2 # Enthalpy of formation: -161.385 kcal/mol - -analytic -6.9958e+001 -3.3526e-002 -7.0846e+001 2.8224e+001 -1.0849e+000 + -analytic -6.9958e+1 -3.3526e-2 -7.0846e+1 2.8224e+1 -1.0849e+0 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Ca++ = Ca(Acetate)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -7.3814 - -delta_H -2.7196 kJ/mol # Calculated enthalpy of reaction Ca(Acetate)2 +2 HAcetate + Ca+2 = Ca(Acetate)2 + 2 H+ + -llnl_gamma 3 + log_k -7.3814 + -delta_H -2.7196 kJ/mol # Calculated enthalpy of reaction Ca(Acetate)2 # Enthalpy of formation: -362.65 kcal/mol - -analytic -1.0320e+001 4.0012e-003 -3.6281e+003 2.4421e+000 7.0175e+005 + -analytic -1.032e+1 4.0012e-3 -3.6281e+3 2.4421e+0 7.0175e+5 # -Range: 0-300 -1.0000 O_phthalate-2 + 1.0000 Ca++ = Ca(O_phthalate) - -llnl_gamma 3.0 - log_k +2.4200 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ca(O_phthalate) +O_phthalate-2 + Ca+2 = Ca(O_phthalate) + -llnl_gamma 3 + log_k 2.42 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ca(O_phthalate) # Enthalpy of formation: -0 kcal/mol - -1.0000 H2O + 1.0000 Ca++ + 1.0000 B(OH)3 = CaB(OH)4+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -7.4222 - -delta_H 0 # Not possible to calculate enthalpy of reaction CaB(OH)4+ + +H2O + Ca+2 + B(OH)3 = CaB(OH)4+ + H+ + -llnl_gamma 4 + log_k -7.4222 + -delta_H 0 # Not possible to calculate enthalpy of reaction CaB(OH)4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 Ca++ + 1.0000 HAcetate = CaAcetate+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -3.8263 - -delta_H 1.17152 kJ/mol # Calculated enthalpy of reaction CaAcetate+ + +Ca+2 + HAcetate = CaAcetate+ + H+ + -llnl_gamma 4 + log_k -3.8263 + -delta_H 1.17152 kJ/mol # Calculated enthalpy of reaction CaAcetate+ # Enthalpy of formation: -245.62 kcal/mol - -analytic -8.8826e+000 3.1672e-003 -1.0764e+003 2.0526e+000 2.3599e+005 + -analytic -8.8826e+0 3.1672e-3 -1.0764e+3 2.0526e+0 2.3599e+5 # -Range: 0-300 -1.0000 HCO3- + 1.0000 Ca++ = CaCO3 +1.0000 H+ - -llnl_gamma 3.0 - log_k -7.0017 - -delta_H 30.5767 kJ/mol # Calculated enthalpy of reaction CaCO3 +HCO3- + Ca+2 = CaCO3 + H+ + -llnl_gamma 3 + log_k -7.0017 + -delta_H 30.5767 kJ/mol # Calculated enthalpy of reaction CaCO3 # Enthalpy of formation: -287.39 kcal/mol - -analytic 2.3045e+002 5.5350e-002 -8.5056e+003 -9.1096e+001 -1.3279e+002 + -analytic 2.3045e+2 5.535e-2 -8.5056e+3 -9.1096e+1 -1.3279e+2 # -Range: 0-300 -1.0000 Cl- + 1.0000 Ca++ = CaCl+ - -llnl_gamma 4.0 - log_k -0.6956 - -delta_H 2.02087 kJ/mol # Calculated enthalpy of reaction CaCl+ +Cl- + Ca+2 = CaCl+ + -llnl_gamma 4 + log_k -0.6956 + -delta_H 2.02087 kJ/mol # Calculated enthalpy of reaction CaCl+ # Enthalpy of formation: -169.25 kcal/mol - -analytic 8.1498e+001 3.8387e-002 -1.3763e+003 -3.5968e+001 -2.1501e+001 + -analytic 8.1498e+1 3.8387e-2 -1.3763e+3 -3.5968e+1 -2.1501e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Ca++ = CaCl2 - -llnl_gamma 3.0 - log_k -0.6436 - -delta_H -5.8325 kJ/mol # Calculated enthalpy of reaction CaCl2 +2 Cl- + Ca+2 = CaCl2 + -llnl_gamma 3 + log_k -0.6436 + -delta_H -5.8325 kJ/mol # Calculated enthalpy of reaction CaCl2 # Enthalpy of formation: -211.06 kcal/mol - -analytic 1.8178e+002 7.6910e-002 -3.1088e+003 -7.8760e+001 -4.8563e+001 + -analytic 1.8178e+2 7.691e-2 -3.1088e+3 -7.876e+1 -4.8563e+1 # -Range: 0-300 -1.0000 F- + 1.0000 Ca++ = CaF+ - -llnl_gamma 4.0 - log_k +0.6817 - -delta_H 5.6484 kJ/mol # Calculated enthalpy of reaction CaF+ +F- + Ca+2 = CaF+ + -llnl_gamma 4 + log_k 0.6817 + -delta_H 5.6484 kJ/mol # Calculated enthalpy of reaction CaF+ # Enthalpy of formation: -208.6 kcal/mol - -analytic 7.8058e+001 3.8276e-002 -1.3289e+003 -3.4071e+001 -2.0759e+001 + -analytic 7.8058e+1 3.8276e-2 -1.3289e+3 -3.4071e+1 -2.0759e+1 # -Range: 0-300 -1.0000 HPO4-- + 1.0000 H+ + 1.0000 Ca++ = CaH2PO4+ - -llnl_gamma 4.0 - log_k +1.4000 - -delta_H 0 # Not possible to calculate enthalpy of reaction CaH2PO4+ +HPO4-2 + H+ + Ca+2 = CaH2PO4+ + -llnl_gamma 4 + log_k 1.4 + -delta_H 0 # Not possible to calculate enthalpy of reaction CaH2PO4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 HCO3- + 1.0000 Ca++ = CaHCO3+ - -llnl_gamma 4.0 - log_k +1.0467 - -delta_H 1.45603 kJ/mol # Calculated enthalpy of reaction CaHCO3+ + +HCO3- + Ca+2 = CaHCO3+ + -llnl_gamma 4 + log_k 1.0467 + -delta_H 1.45603 kJ/mol # Calculated enthalpy of reaction CaHCO3+ # Enthalpy of formation: -294.35 kcal/mol - -analytic 5.5985e+001 3.4639e-002 -3.6972e+002 -2.5864e+001 -5.7859e+000 -# -Range: 0-300 - -1.0000 HPO4-- + 1.0000 Ca++ = CaHPO4 - -llnl_gamma 3.0 - log_k +2.7400 - -delta_H 0 # Not possible to calculate enthalpy of reaction CaHPO4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 NO3- + 1.0000 Ca++ = CaNO3+ - -llnl_gamma 4.0 - log_k +0.7000 - -delta_H 0 # Not possible to calculate enthalpy of reaction CaNO3+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 H2O + 1.0000 Ca++ = CaOH+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -12.85 - -delta_H 0 # Not possible to calculate enthalpy of reaction CaOH+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Ca++ = CaP2O7-- +1.0000 H2O - -llnl_gamma 4.0 - log_k +3.0537 - -delta_H 0 # Not possible to calculate enthalpy of reaction CaP2O7-2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 HPO4-- + 1.0000 Ca++ = CaPO4- +1.0000 H+ - -llnl_gamma 4.0 - log_k -5.8618 - -delta_H 0 # Not possible to calculate enthalpy of reaction CaPO4- -# Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Ca++ = CaSO4 - -llnl_gamma 3.0 - log_k +2.1111 - -delta_H 5.4392 kJ/mol # Calculated enthalpy of reaction CaSO4 + -analytic 5.5985e+1 3.4639e-2 -3.6972e+2 -2.5864e+1 -5.7859e+0 +# -Range: 0-300 + +HPO4-2 + Ca+2 = CaHPO4 + -llnl_gamma 3 + log_k 2.74 + -delta_H 0 # Not possible to calculate enthalpy of reaction CaHPO4 +# Enthalpy of formation: -0 kcal/mol + +NO3- + Ca+2 = CaNO3+ + -llnl_gamma 4 + log_k 0.7 + -delta_H 0 # Not possible to calculate enthalpy of reaction CaNO3+ +# Enthalpy of formation: -0 kcal/mol + +H2O + Ca+2 = CaOH+ + H+ + -llnl_gamma 4 + log_k -12.85 + -delta_H 0 # Not possible to calculate enthalpy of reaction CaOH+ +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Ca+2 = CaP2O7-2 + H2O + -llnl_gamma 4 + log_k 3.0537 + -delta_H 0 # Not possible to calculate enthalpy of reaction CaP2O7-2 +# Enthalpy of formation: -0 kcal/mol + +HPO4-2 + Ca+2 = CaPO4- + H+ + -llnl_gamma 4 + log_k -5.8618 + -delta_H 0 # Not possible to calculate enthalpy of reaction CaPO4- +# Enthalpy of formation: -0 kcal/mol + +SO4-2 + Ca+2 = CaSO4 + -llnl_gamma 3 + log_k 2.1111 + -delta_H 5.4392 kJ/mol # Calculated enthalpy of reaction CaSO4 # Enthalpy of formation: -345.9 kcal/mol - -analytic 2.8618e+002 8.4084e-002 -7.6880e+003 -1.1449e+002 -1.2005e+002 + -analytic 2.8618e+2 8.4084e-2 -7.688e+3 -1.1449e+2 -1.2005e+2 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Cd++ = Cd(Acetate)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -6.3625 - -delta_H -17.4891 kJ/mol # Calculated enthalpy of reaction Cd(Acetate)2 +2 HAcetate + Cd+2 = Cd(Acetate)2 + 2 H+ + -llnl_gamma 3 + log_k -6.3625 + -delta_H -17.4891 kJ/mol # Calculated enthalpy of reaction Cd(Acetate)2 # Enthalpy of formation: -254.52 kcal/mol - -analytic -1.9344e+001 2.5894e-003 -3.2847e+003 5.8489e+000 7.8041e+005 + -analytic -1.9344e+1 2.5894e-3 -3.2847e+3 5.8489e+0 7.8041e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Cd++ = Cd(Acetate)3- +3.0000 H+ - -llnl_gamma 4.0 - log_k -10.8558 - -delta_H -40.0409 kJ/mol # Calculated enthalpy of reaction Cd(Acetate)3- +3 HAcetate + Cd+2 = Cd(Acetate)3- + 3 H+ + -llnl_gamma 4 + log_k -10.8558 + -delta_H -40.0409 kJ/mol # Calculated enthalpy of reaction Cd(Acetate)3- # Enthalpy of formation: -376.01 kcal/mol - -analytic 4.8290e+001 -3.4317e-003 -1.5122e+004 -1.3203e+001 2.2479e+006 + -analytic 4.829e+1 -3.4317e-3 -1.5122e+4 -1.3203e+1 2.2479e+6 # -Range: 0-300 -4.0000 HAcetate + 1.0000 Cd++ = Cd(Acetate)4-- +4.0000 H+ - -llnl_gamma 4.0 - log_k -16.9163 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Acetate)4-2 +4 HAcetate + Cd+2 = Cd(Acetate)4-2 + 4 H+ + -llnl_gamma 4 + log_k -16.9163 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Acetate)4-2 # Enthalpy of formation: -0 kcal/mol - - 2.0000 Cyanide- + 1.0000 Cd++ = Cd(Cyanide)2 - -llnl_gamma 3.0 - log_k +10.3551 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Cyanide)2 + + 2 Cyanide- + Cd+2 = Cd(Cyanide)2 + -llnl_gamma 3 + log_k 10.3551 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Cyanide)2 # Enthalpy of formation: -0 kcal/mol - - 3.0000 Cyanide- + 1.0000 Cd++ = Cd(Cyanide)3- - -llnl_gamma 4.0 - log_k +14.8191 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Cyanide)3- + + 3 Cyanide- + Cd+2 = Cd(Cyanide)3- + -llnl_gamma 4 + log_k 14.8191 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Cyanide)3- # Enthalpy of formation: -0 kcal/mol - - 4.0000 Cyanide- + 1.0000 Cd++ = Cd(Cyanide)4-- - -llnl_gamma 4.0 - log_k +18.2670 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Cyanide)4-2 + + 4 Cyanide- + Cd+2 = Cd(Cyanide)4-2 + -llnl_gamma 4 + log_k 18.267 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Cyanide)4-2 # Enthalpy of formation: -0 kcal/mol - - -2.0000 HCO3- + 1.0000 Cd++ = Cd(CO3)2-- +2.0000 H+ - -llnl_gamma 4.0 - log_k -14.2576 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(CO3)2-2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 N3- + 1.0000 Cd++ = Cd(N3)2 - -llnl_gamma 0.0 - log_k +2.4606 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(N3)2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 N3- + 1.0000 Cd++ = Cd(N3)3- - -llnl_gamma 4.0 - log_k +3.1263 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(N3)3- -# Enthalpy of formation: -0 kcal/mol - -4.0000 N3- + 1.0000 Cd++ = Cd(N3)4-- - -llnl_gamma 4.0 - log_k +3.4942 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(N3)4-2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 NH3 + 1.0000 Cd++ = Cd(NH3)++ - -llnl_gamma 4.5 - log_k +2.5295 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(NH3)+2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 NH3 + 1.0000 Cd++ = Cd(NH3)2++ - -llnl_gamma 4.5 - log_k +4.8760 - -delta_H -27.6533 kJ/mol # Calculated enthalpy of reaction Cd(NH3)2+2 + + +2 HCO3- + Cd+2 = Cd(CO3)2-2 + 2 H+ + -llnl_gamma 4 + log_k -14.2576 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(CO3)2-2 +# Enthalpy of formation: -0 kcal/mol + +2 N3- + Cd+2 = Cd(N3)2 + -llnl_gamma 0 + log_k 2.4606 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(N3)2 +# Enthalpy of formation: -0 kcal/mol + +3 N3- + Cd+2 = Cd(N3)3- + -llnl_gamma 4 + log_k 3.1263 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(N3)3- +# Enthalpy of formation: -0 kcal/mol + +4 N3- + Cd+2 = Cd(N3)4-2 + -llnl_gamma 4 + log_k 3.4942 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(N3)4-2 +# Enthalpy of formation: -0 kcal/mol + +NH3 + Cd+2 = Cd(NH3)+2 + -llnl_gamma 4.5 + log_k 2.5295 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(NH3)+2 +# Enthalpy of formation: -0 kcal/mol + +2 NH3 + Cd+2 = Cd(NH3)2+2 + -llnl_gamma 4.5 + log_k 4.876 + -delta_H -27.6533 kJ/mol # Calculated enthalpy of reaction Cd(NH3)2+2 # Enthalpy of formation: -266.225 kJ/mol - -analytic 1.0738e+002 1.6071e-003 -3.2536e+003 -3.7202e+001 -5.0801e+001 + -analytic 1.0738e+2 1.6071e-3 -3.2536e+3 -3.7202e+1 -5.0801e+1 # -Range: 0-300 -4.0000 NH3 + 1.0000 Cd++ = Cd(NH3)4++ - -llnl_gamma 4.5 - log_k +7.2914 - -delta_H -49.0684 kJ/mol # Calculated enthalpy of reaction Cd(NH3)4+2 +4 NH3 + Cd+2 = Cd(NH3)4+2 + -llnl_gamma 4.5 + log_k 7.2914 + -delta_H -49.0684 kJ/mol # Calculated enthalpy of reaction Cd(NH3)4+2 # Enthalpy of formation: -450.314 kJ/mol - -analytic 1.5670e+002 -9.4949e-003 -5.0986e+003 -5.2316e+001 -7.9603e+001 -# -Range: 0-300 - -2.0000 H2O + 1.0000 Cd++ = Cd(OH)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -20.3402 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(OH)2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 H2O + 1.0000 Cd++ = Cd(OH)3- +3.0000 H+ - -llnl_gamma 4.0 - log_k -33.2852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(OH)3- -# Enthalpy of formation: -0 kcal/mol - -4.0000 H2O + 1.0000 Cd++ = Cd(OH)4-- +4.0000 H+ - -llnl_gamma 4.0 - log_k -47.3303 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(OH)4-2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 H2O + 1.0000 Cl- + 1.0000 Cd++ = Cd(OH)Cl +1.0000 H+ - -llnl_gamma 3.0 - log_k -7.4328 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(OH)Cl -# Enthalpy of formation: -0 kcal/mol - -2.0000 Thiocyanate- + 1.0000 Cd++ = Cd(Thiocyanate)2 - -llnl_gamma 3.0 - log_k +1.8649 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Thiocyanate)2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 Thiocyanate- + 1.0000 Cd++ = Cd(Thiocyanate)3- - -llnl_gamma 4.0 - log_k +1.9000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Thiocyanate)3- -# Enthalpy of formation: -0 kcal/mol - -2.0000 Cd++ + 1.0000 H2O = Cd2OH+++ +1.0000 H+ - -llnl_gamma 5.0 - log_k -9.3851 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd2OH+3 -# Enthalpy of formation: -0 kcal/mol - -4.0000 H2O + 4.0000 Cd++ = Cd4(OH)4++++ +4.0000 H+ - -llnl_gamma 5.5 - log_k -362.1263 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd4(OH)4+4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Cd++ + 1.0000 Br- = CdBr+ - -llnl_gamma 4.0 - log_k +2.1424 - -delta_H -3.35588 kJ/mol # Calculated enthalpy of reaction CdBr+ + -analytic 1.567e+2 -9.4949e-3 -5.0986e+3 -5.2316e+1 -7.9603e+1 +# -Range: 0-300 + +2 H2O + Cd+2 = Cd(OH)2 + 2 H+ + -llnl_gamma 3 + log_k -20.3402 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(OH)2 +# Enthalpy of formation: -0 kcal/mol + +3 H2O + Cd+2 = Cd(OH)3- + 3 H+ + -llnl_gamma 4 + log_k -33.2852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(OH)3- +# Enthalpy of formation: -0 kcal/mol + +4 H2O + Cd+2 = Cd(OH)4-2 + 4 H+ + -llnl_gamma 4 + log_k -47.3303 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(OH)4-2 +# Enthalpy of formation: -0 kcal/mol + +H2O + Cl- + Cd+2 = Cd(OH)Cl + H+ + -llnl_gamma 3 + log_k -7.4328 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(OH)Cl +# Enthalpy of formation: -0 kcal/mol + +2 Thiocyanate- + Cd+2 = Cd(Thiocyanate)2 + -llnl_gamma 3 + log_k 1.8649 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Thiocyanate)2 +# Enthalpy of formation: -0 kcal/mol + +3 Thiocyanate- + Cd+2 = Cd(Thiocyanate)3- + -llnl_gamma 4 + log_k 1.9 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Thiocyanate)3- +# Enthalpy of formation: -0 kcal/mol + +2 Cd+2 + H2O = Cd2OH+3 + H+ + -llnl_gamma 5 + log_k -9.3851 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd2OH+3 +# Enthalpy of formation: -0 kcal/mol + +4 H2O + 4 Cd+2 = Cd4(OH)4+4 + 4 H+ + -llnl_gamma 5.5 + log_k -362.1263 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd4(OH)4+4 +# Enthalpy of formation: -0 kcal/mol + +Cd+2 + Br- = CdBr+ + -llnl_gamma 4 + log_k 2.1424 + -delta_H -3.35588 kJ/mol # Calculated enthalpy of reaction CdBr+ # Enthalpy of formation: -200.757 kJ/mol - -analytic 1.4922e+002 5.0059e-002 -3.3035e+003 -6.0984e+001 -5.1593e+001 + -analytic 1.4922e+2 5.0059e-2 -3.3035e+3 -6.0984e+1 -5.1593e+1 # -Range: 0-300 -2.0000 Br- + 1.0000 Cd++ = CdBr2 - -llnl_gamma 3.0 - log_k +2.8614 - -delta_H 0 # Not possible to calculate enthalpy of reaction CdBr2 +2 Br- + Cd+2 = CdBr2 + -llnl_gamma 3 + log_k 2.8614 + -delta_H 0 # Not possible to calculate enthalpy of reaction CdBr2 # Enthalpy of formation: -0 kcal/mol - -3.0000 Br- + 1.0000 Cd++ = CdBr3- - -llnl_gamma 4.0 - log_k +3.0968 - -delta_H 0 # Not possible to calculate enthalpy of reaction CdBr3- + +3 Br- + Cd+2 = CdBr3- + -llnl_gamma 4 + log_k 3.0968 + -delta_H 0 # Not possible to calculate enthalpy of reaction CdBr3- # Enthalpy of formation: -0 kcal/mol - -1.0000 Cd++ + 1.0000 HAcetate = CdAcetate+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.8294 - -delta_H -7.02912 kJ/mol # Calculated enthalpy of reaction CdAcetate+ + +Cd+2 + HAcetate = CdAcetate+ + H+ + -llnl_gamma 4 + log_k -2.8294 + -delta_H -7.02912 kJ/mol # Calculated enthalpy of reaction CdAcetate+ # Enthalpy of formation: -135.92 kcal/mol - -analytic -8.8425e+000 1.7178e-003 -1.1758e+003 2.4435e+000 3.0321e+005 + -analytic -8.8425e+0 1.7178e-3 -1.1758e+3 2.4435e+0 3.0321e+5 # -Range: 0-300 -1.0000 Cd++ + 1.0000 Cyanide- = CdCyanide+ - -llnl_gamma 4.0 - log_k +5.3129 - -delta_H 0 # Not possible to calculate enthalpy of reaction CdCyanide+ +Cd+2 + Cyanide- = CdCyanide+ + -llnl_gamma 4 + log_k 5.3129 + -delta_H 0 # Not possible to calculate enthalpy of reaction CdCyanide+ # Enthalpy of formation: -0 kcal/mol - -1.0000 HCO3- + 1.0000 Cd++ = CdCO3 +1.0000 H+ - -llnl_gamma 3.0 - log_k -7.3288 - -delta_H 0 # Not possible to calculate enthalpy of reaction CdCO3 + +HCO3- + Cd+2 = CdCO3 + H+ + -llnl_gamma 3 + log_k -7.3288 + -delta_H 0 # Not possible to calculate enthalpy of reaction CdCO3 # Enthalpy of formation: -0 kcal/mol - -1.0000 Cl- + 1.0000 Cd++ = CdCl+ - -llnl_gamma 4.0 - log_k +2.7059 - -delta_H 2.33843 kJ/mol # Calculated enthalpy of reaction CdCl+ + +Cl- + Cd+2 = CdCl+ + -llnl_gamma 4 + log_k 2.7059 + -delta_H 2.33843 kJ/mol # Calculated enthalpy of reaction CdCl+ # Enthalpy of formation: -240.639 kJ/mol -2.0000 Cl- + 1.0000 Cd++ = CdCl2 - -llnl_gamma 3.0 - log_k +3.3384 - -delta_H 5.1261 kJ/mol # Calculated enthalpy of reaction CdCl2 +2 Cl- + Cd+2 = CdCl2 + -llnl_gamma 3 + log_k 3.3384 + -delta_H 5.1261 kJ/mol # Calculated enthalpy of reaction CdCl2 # Enthalpy of formation: -404.931 kJ/mol - -analytic 1.4052e+002 4.9221e-002 -3.2625e+003 -5.6946e+001 -5.5451e+001 + -analytic 1.4052e+2 4.9221e-2 -3.2625e+3 -5.6946e+1 -5.5451e+1 # -Range: 0-200 -3.0000 Cl- + 1.0000 Cd++ = CdCl3- - -llnl_gamma 4.0 - log_k +2.7112 - -delta_H 15.9388 kJ/mol # Calculated enthalpy of reaction CdCl3- +3 Cl- + Cd+2 = CdCl3- + -llnl_gamma 4 + log_k 2.7112 + -delta_H 15.9388 kJ/mol # Calculated enthalpy of reaction CdCl3- # Enthalpy of formation: -561.198 kJ/mol - -analytic 3.5108e+002 1.0219e-001 -9.9103e+003 -1.3965e+002 -1.5474e+002 + -analytic 3.5108e+2 1.0219e-1 -9.9103e+3 -1.3965e+2 -1.5474e+2 # -Range: 0-300 -1.0000 HCO3- + 1.0000 Cd++ = CdHCO3+ - -llnl_gamma 4.0 - log_k +1.5000 - -delta_H 0 # Not possible to calculate enthalpy of reaction CdHCO3+ +HCO3- + Cd+2 = CdHCO3+ + -llnl_gamma 4 + log_k 1.5 + -delta_H 0 # Not possible to calculate enthalpy of reaction CdHCO3+ # Enthalpy of formation: -0 kcal/mol - -1.0000 I- + 1.0000 Cd++ = CdI+ - -llnl_gamma 4.0 - log_k +2.0710 - -delta_H -9.02584 kJ/mol # Calculated enthalpy of reaction CdI+ + +I- + Cd+2 = CdI+ + -llnl_gamma 4 + log_k 2.071 + -delta_H -9.02584 kJ/mol # Calculated enthalpy of reaction CdI+ # Enthalpy of formation: -141.826 kJ/mol - -analytic 1.5019e+002 5.0320e-002 -3.0810e+003 -6.1738e+001 -4.8120e+001 + -analytic 1.5019e+2 5.032e-2 -3.081e+3 -6.1738e+1 -4.812e+1 # -Range: 0-300 -2.0000 I- + 1.0000 Cd++ = CdI2 - -llnl_gamma 3.0 - log_k +3.4685 - -delta_H 0 # Not possible to calculate enthalpy of reaction CdI2 +2 I- + Cd+2 = CdI2 + -llnl_gamma 3 + log_k 3.4685 + -delta_H 0 # Not possible to calculate enthalpy of reaction CdI2 # Enthalpy of formation: -0 kcal/mol - -3.0000 I- + 1.0000 Cd++ = CdI3- - -llnl_gamma 4.0 - log_k +4.5506 - -delta_H 0 # Not possible to calculate enthalpy of reaction CdI3- + +3 I- + Cd+2 = CdI3- + -llnl_gamma 4 + log_k 4.5506 + -delta_H 0 # Not possible to calculate enthalpy of reaction CdI3- # Enthalpy of formation: -0 kcal/mol - -4.0000 I- + 1.0000 Cd++ = CdI4-- - -llnl_gamma 4.0 - log_k +5.3524 - -delta_H -38.8566 kJ/mol # Calculated enthalpy of reaction CdI4-2 + +4 I- + Cd+2 = CdI4-2 + -llnl_gamma 4 + log_k 5.3524 + -delta_H -38.8566 kJ/mol # Calculated enthalpy of reaction CdI4-2 # Enthalpy of formation: -342.364 kJ/mol - -analytic 4.3154e+002 1.4257e-001 -8.4464e+003 -1.7795e+002 -1.3193e+002 -# -Range: 0-300 - -1.0000 N3- + 1.0000 Cd++ = CdN3+ - -llnl_gamma 4.0 - log_k +1.4970 - -delta_H 0 # Not possible to calculate enthalpy of reaction CdN3+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 NO2- + 1.0000 Cd++ = CdNO2+ - -llnl_gamma 4.0 - log_k +2.3700 - -delta_H 0 # Not possible to calculate enthalpy of reaction CdNO2+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 H2O + 1.0000 Cd++ = CdOH+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -10.0751 - -delta_H 0 # Not possible to calculate enthalpy of reaction CdOH+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Cd++ = CdP2O7-- +1.0000 H2O - -llnl_gamma 4.0 - log_k +4.8094 - -delta_H 0 # Not possible to calculate enthalpy of reaction CdP2O7-2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Thiocyanate- + 1.0000 Cd++ = CdThiocyanate+ - -llnl_gamma 4.0 - log_k +1.3218 - -delta_H 0 # Not possible to calculate enthalpy of reaction CdThiocyanate+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Cd++ = CdSO4 - -llnl_gamma 3.0 - log_k +0.0028 - -delta_H 0.20436 kJ/mol # Calculated enthalpy of reaction CdSO4 + -analytic 4.3154e+2 1.4257e-1 -8.4464e+3 -1.7795e+2 -1.3193e+2 +# -Range: 0-300 + +N3- + Cd+2 = CdN3+ + -llnl_gamma 4 + log_k 1.497 + -delta_H 0 # Not possible to calculate enthalpy of reaction CdN3+ +# Enthalpy of formation: -0 kcal/mol + +NO2- + Cd+2 = CdNO2+ + -llnl_gamma 4 + log_k 2.37 + -delta_H 0 # Not possible to calculate enthalpy of reaction CdNO2+ +# Enthalpy of formation: -0 kcal/mol + +H2O + Cd+2 = CdOH+ + H+ + -llnl_gamma 4 + log_k -10.0751 + -delta_H 0 # Not possible to calculate enthalpy of reaction CdOH+ +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Cd+2 = CdP2O7-2 + H2O + -llnl_gamma 4 + log_k 4.8094 + -delta_H 0 # Not possible to calculate enthalpy of reaction CdP2O7-2 +# Enthalpy of formation: -0 kcal/mol + +Thiocyanate- + Cd+2 = CdThiocyanate+ + -llnl_gamma 4 + log_k 1.3218 + -delta_H 0 # Not possible to calculate enthalpy of reaction CdThiocyanate+ +# Enthalpy of formation: -0 kcal/mol + +SO4-2 + Cd+2 = CdSO4 + -llnl_gamma 3 + log_k 0.0028 + -delta_H 0.20436 kJ/mol # Calculated enthalpy of reaction CdSO4 # Enthalpy of formation: -985.295 kJ/mol - -analytic -8.9926e+000 -1.9109e-003 2.7454e+002 3.4949e+000 4.6651e+000 + -analytic -8.9926e+0 -1.9109e-3 2.7454e+2 3.4949e+0 4.6651e+0 # -Range: 0-200 -1.0000 SeO4-- + 1.0000 Cd++ = CdSeO4 - -llnl_gamma 3.0 - log_k +2.2700 - -delta_H 0 # Not possible to calculate enthalpy of reaction CdSeO4 +SeO4-2 + Cd+2 = CdSeO4 + -llnl_gamma 3 + log_k 2.27 + -delta_H 0 # Not possible to calculate enthalpy of reaction CdSeO4 # Enthalpy of formation: -0 kcal/mol - -2.0000 HAcetate + 1.0000 Ce+++ = Ce(Acetate)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -4.8159 - -delta_H -22.9702 kJ/mol # Calculated enthalpy of reaction Ce(Acetate)2+ + +2 HAcetate + Ce+3 = Ce(Acetate)2+ + 2 H+ + -llnl_gamma 4 + log_k -4.8159 + -delta_H -22.9702 kJ/mol # Calculated enthalpy of reaction Ce(Acetate)2+ # Enthalpy of formation: -405.09 kcal/mol - -analytic -3.4653e+001 2.0716e-004 -6.3400e+002 1.0678e+001 4.8922e+005 + -analytic -3.4653e+1 2.0716e-4 -6.34e+2 1.0678e+1 4.8922e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Ce+++ = Ce(Acetate)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -8.151 - -delta_H -38.7438 kJ/mol # Calculated enthalpy of reaction Ce(Acetate)3 +3 HAcetate + Ce+3 = Ce(Acetate)3 + 3 H+ + -llnl_gamma 3 + log_k -8.151 + -delta_H -38.7438 kJ/mol # Calculated enthalpy of reaction Ce(Acetate)3 # Enthalpy of formation: -524.96 kcal/mol - -analytic -2.3361e+001 2.3896e-003 -1.8035e+003 5.0888e+000 7.1021e+005 -# -Range: 0-300 - -2.0000 HCO3- + 1.0000 Ce+++ = Ce(CO3)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -8.1576 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ce(CO3)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Ce+++ = Ce(HPO4)2- - -llnl_gamma 4.0 - log_k +8.7000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ce(HPO4)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 Ce++++ = Ce(OH)2++ +2.0000 H+ - -llnl_gamma 4.5 - log_k +2.0098 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ce(OH)2+2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Ce+++ = Ce(PO4)2--- +2.0000 H+ - -llnl_gamma 4.0 - log_k -6.1437 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ce(PO4)2-3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 2.0000 Ce++++ = Ce2(OH)2+6 +2.0000 H+ - -llnl_gamma 6.0 - log_k +3.0098 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ce2(OH)2+6 -# Enthalpy of formation: -0 kcal/mol - -5.0000 H2O + 3.0000 Ce+++ = Ce3(OH)5++++ +5.0000 H+ - -llnl_gamma 5.5 - log_k -33.4754 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ce3(OH)5+4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Ce+++ + 1.0000 Br- = CeBr++ - -llnl_gamma 4.5 - log_k +0.3797 - -delta_H 3.0585 kJ/mol # Calculated enthalpy of reaction CeBr+2 + -analytic -2.3361e+1 2.3896e-3 -1.8035e+3 5.0888e+0 7.1021e+5 +# -Range: 0-300 + +2 HCO3- + Ce+3 = Ce(CO3)2- + 2 H+ + -llnl_gamma 4 + log_k -8.1576 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ce(CO3)2- +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Ce+3 = Ce(HPO4)2- + -llnl_gamma 4 + log_k 8.7 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ce(HPO4)2- +# Enthalpy of formation: -0 kcal/mol + +2 H2O + Ce+4 = Ce(OH)2+2 + 2 H+ + -llnl_gamma 4.5 + log_k 2.0098 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ce(OH)2+2 +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Ce+3 = Ce(PO4)2-3 + 2 H+ + -llnl_gamma 4 + log_k -6.1437 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ce(PO4)2-3 +# Enthalpy of formation: -0 kcal/mol + +2 H2O + 2 Ce+4 = Ce2(OH)2+6 + 2 H+ + -llnl_gamma 6 + log_k 3.0098 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ce2(OH)2+6 +# Enthalpy of formation: -0 kcal/mol + +5 H2O + 3 Ce+3 = Ce3(OH)5+4 + 5 H+ + -llnl_gamma 5.5 + log_k -33.4754 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ce3(OH)5+4 +# Enthalpy of formation: -0 kcal/mol + +Ce+3 + Br- = CeBr+2 + -llnl_gamma 4.5 + log_k 0.3797 + -delta_H 3.0585 kJ/mol # Calculated enthalpy of reaction CeBr+2 # Enthalpy of formation: -195.709 kcal/mol - -analytic 7.5790e+001 3.6040e-002 -1.2647e+003 -3.3094e+001 -1.9757e+001 + -analytic 7.579e+1 3.604e-2 -1.2647e+3 -3.3094e+1 -1.9757e+1 # -Range: 0-300 -1.0000 Ce+++ + 1.0000 HAcetate = CeAcetate++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -2.0304 - -delta_H -12.0918 kJ/mol # Calculated enthalpy of reaction CeAcetate+2 +Ce+3 + HAcetate = CeAcetate+2 + H+ + -llnl_gamma 4.5 + log_k -2.0304 + -delta_H -12.0918 kJ/mol # Calculated enthalpy of reaction CeAcetate+2 # Enthalpy of formation: -286.39 kcal/mol - -analytic -1.6080e+001 6.6239e-004 -6.0721e+002 5.0845e+000 2.9512e+005 + -analytic -1.608e+1 6.6239e-4 -6.0721e+2 5.0845e+0 2.9512e+5 # -Range: 0-300 -1.0000 HCO3- + 1.0000 Ce+++ = CeCO3+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.9284 - -delta_H 93.345 kJ/mol # Calculated enthalpy of reaction CeCO3+ +HCO3- + Ce+3 = CeCO3+ + H+ + -llnl_gamma 4 + log_k -2.9284 + -delta_H 93.345 kJ/mol # Calculated enthalpy of reaction CeCO3+ # Enthalpy of formation: -309.988 kcal/mol - -analytic 2.3292e+002 5.3153e-002 -7.1180e+003 -9.2061e+001 -1.1114e+002 + -analytic 2.3292e+2 5.3153e-2 -7.118e+3 -9.2061e+1 -1.1114e+2 # -Range: 0-300 -1.0000 Cl- + 1.0000 Ce+++ = CeCl++ - -llnl_gamma 4.5 - log_k +0.3086 - -delta_H 14.7821 kJ/mol # Calculated enthalpy of reaction CeCl+2 +Cl- + Ce+3 = CeCl+2 + -llnl_gamma 4.5 + log_k 0.3086 + -delta_H 14.7821 kJ/mol # Calculated enthalpy of reaction CeCl+2 # Enthalpy of formation: -203.8 kcal/mol - -analytic 8.3534e+001 3.8166e-002 -2.0058e+003 -3.5504e+001 -3.1324e+001 + -analytic 8.3534e+1 3.8166e-2 -2.0058e+3 -3.5504e+1 -3.1324e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Ce+++ = CeCl2+ - -llnl_gamma 4.0 - log_k +0.0308 - -delta_H 20.7777 kJ/mol # Calculated enthalpy of reaction CeCl2+ +2 Cl- + Ce+3 = CeCl2+ + -llnl_gamma 4 + log_k 0.0308 + -delta_H 20.7777 kJ/mol # Calculated enthalpy of reaction CeCl2+ # Enthalpy of formation: -242.3 kcal/mol - -analytic 2.3011e+002 8.1428e-002 -6.1292e+003 -9.4468e+001 -9.5708e+001 + -analytic 2.3011e+2 8.1428e-2 -6.1292e+3 -9.4468e+1 -9.5708e+1 # -Range: 0-300 -3.0000 Cl- + 1.0000 Ce+++ = CeCl3 - -llnl_gamma 3.0 - log_k -0.3936 - -delta_H 15.4766 kJ/mol # Calculated enthalpy of reaction CeCl3 +3 Cl- + Ce+3 = CeCl3 + -llnl_gamma 3 + log_k -0.3936 + -delta_H 15.4766 kJ/mol # Calculated enthalpy of reaction CeCl3 # Enthalpy of formation: -283.5 kcal/mol - -analytic 4.4073e+002 1.2994e-001 -1.2308e+004 -1.7722e+002 -1.9218e+002 + -analytic 4.4073e+2 1.2994e-1 -1.2308e+4 -1.7722e+2 -1.9218e+2 # -Range: 0-300 -4.0000 Cl- + 1.0000 Ce+++ = CeCl4- - -llnl_gamma 4.0 - log_k -0.7447 - -delta_H -1.95811 kJ/mol # Calculated enthalpy of reaction CeCl4- +4 Cl- + Ce+3 = CeCl4- + -llnl_gamma 4 + log_k -0.7447 + -delta_H -1.95811 kJ/mol # Calculated enthalpy of reaction CeCl4- # Enthalpy of formation: -327.6 kcal/mol - -analytic 5.2230e+002 1.3490e-001 -1.4859e+004 -2.0747e+002 -2.3201e+002 + -analytic 5.223e+2 1.349e-1 -1.4859e+4 -2.0747e+2 -2.3201e+2 # -Range: 0-300 -1.0000 ClO4- + 1.0000 Ce+++ = CeClO4++ - -llnl_gamma 4.5 - log_k +1.9102 - -delta_H -49.0197 kJ/mol # Calculated enthalpy of reaction CeClO4+2 +ClO4- + Ce+3 = CeClO4+2 + -llnl_gamma 4.5 + log_k 1.9102 + -delta_H -49.0197 kJ/mol # Calculated enthalpy of reaction CeClO4+2 # Enthalpy of formation: -210.026 kcal/mol - -analytic -1.3609e+001 1.8115e-002 3.9869e+003 -1.3033e+000 6.2215e+001 + -analytic -1.3609e+1 1.8115e-2 3.9869e+3 -1.3033e+0 6.2215e+1 # -Range: 0-300 -1.0000 F- + 1.0000 Ce+++ = CeF++ - -llnl_gamma 4.5 - log_k +4.2221 - -delta_H 23.2212 kJ/mol # Calculated enthalpy of reaction CeF+2 +F- + Ce+3 = CeF+2 + -llnl_gamma 4.5 + log_k 4.2221 + -delta_H 23.2212 kJ/mol # Calculated enthalpy of reaction CeF+2 # Enthalpy of formation: -242 kcal/mol - -analytic 1.0303e+002 4.1730e-002 -2.8424e+003 -4.1094e+001 -4.4383e+001 + -analytic 1.0303e+2 4.173e-2 -2.8424e+3 -4.1094e+1 -4.4383e+1 # -Range: 0-300 -2.0000 F- + 1.0000 Ce+++ = CeF2+ - -llnl_gamma 4.0 - log_k +7.2714 - -delta_H 15.0624 kJ/mol # Calculated enthalpy of reaction CeF2+ +2 F- + Ce+3 = CeF2+ + -llnl_gamma 4 + log_k 7.2714 + -delta_H 15.0624 kJ/mol # Calculated enthalpy of reaction CeF2+ # Enthalpy of formation: -324.1 kcal/mol - -analytic 2.5063e+002 8.5224e-002 -6.2219e+003 -1.0017e+002 -9.7160e+001 + -analytic 2.5063e+2 8.5224e-2 -6.2219e+3 -1.0017e+2 -9.716e+1 # -Range: 0-300 -3.0000 F- + 1.0000 Ce+++ = CeF3 - -llnl_gamma 3.0 - log_k +9.5144 - -delta_H -6.0668 kJ/mol # Calculated enthalpy of reaction CeF3 +3 F- + Ce+3 = CeF3 + -llnl_gamma 3 + log_k 9.5144 + -delta_H -6.0668 kJ/mol # Calculated enthalpy of reaction CeF3 # Enthalpy of formation: -409.3 kcal/mol - -analytic 4.6919e+002 1.3664e-001 -1.1745e+004 -1.8629e+002 -1.8340e+002 + -analytic 4.6919e+2 1.3664e-1 -1.1745e+4 -1.8629e+2 -1.834e+2 # -Range: 0-300 -4.0000 F- + 1.0000 Ce+++ = CeF4- - -llnl_gamma 4.0 - log_k +11.3909 - -delta_H -45.6056 kJ/mol # Calculated enthalpy of reaction CeF4- +4 F- + Ce+3 = CeF4- + -llnl_gamma 4 + log_k 11.3909 + -delta_H -45.6056 kJ/mol # Calculated enthalpy of reaction CeF4- # Enthalpy of formation: -498.9 kcal/mol - -analytic 5.3522e+002 1.3856e-001 -1.2722e+004 -2.1112e+002 -1.9868e+002 + -analytic 5.3522e+2 1.3856e-1 -1.2722e+4 -2.1112e+2 -1.9868e+2 # -Range: 0-300 -1.0000 HPO4-- + 1.0000 H+ + 1.0000 Ce+++ = CeH2PO4++ - -llnl_gamma 4.5 - log_k +9.6684 - -delta_H -16.2548 kJ/mol # Calculated enthalpy of reaction CeH2PO4+2 +HPO4-2 + H+ + Ce+3 = CeH2PO4+2 + -llnl_gamma 4.5 + log_k 9.6684 + -delta_H -16.2548 kJ/mol # Calculated enthalpy of reaction CeH2PO4+2 # Enthalpy of formation: -480.1 kcal/mol - -analytic 1.1338e+002 6.3771e-002 5.2908e+001 -4.9649e+001 7.9189e-001 + -analytic 1.1338e+2 6.3771e-2 5.2908e+1 -4.9649e+1 7.9189e-1 # -Range: 0-300 -1.0000 HCO3- + 1.0000 Ce+++ = CeHCO3++ - -llnl_gamma 4.5 - log_k +1.9190 - -delta_H 8.77803 kJ/mol # Calculated enthalpy of reaction CeHCO3+2 +HCO3- + Ce+3 = CeHCO3+2 + -llnl_gamma 4.5 + log_k 1.919 + -delta_H 8.77803 kJ/mol # Calculated enthalpy of reaction CeHCO3+2 # Enthalpy of formation: -330.2 kcal/mol - -analytic 4.4441e+001 3.2077e-002 -3.0714e+002 -2.0622e+001 -4.8060e+000 + -analytic 4.4441e+1 3.2077e-2 -3.0714e+2 -2.0622e+1 -4.806e+0 # -Range: 0-300 -1.0000 HPO4-- + 1.0000 Ce+++ = CeHPO4+ - -llnl_gamma 4.0 - log_k +5.2000 - -delta_H 0 # Not possible to calculate enthalpy of reaction CeHPO4+ +HPO4-2 + Ce+3 = CeHPO4+ + -llnl_gamma 4 + log_k 5.2 + -delta_H 0 # Not possible to calculate enthalpy of reaction CeHPO4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 IO3- + 1.0000 Ce+++ = CeIO3++ - -llnl_gamma 4.5 - log_k +1.9000 - -delta_H -21.1627 kJ/mol # Calculated enthalpy of reaction CeIO3+2 + +IO3- + Ce+3 = CeIO3+2 + -llnl_gamma 4.5 + log_k 1.9 + -delta_H -21.1627 kJ/mol # Calculated enthalpy of reaction CeIO3+2 # Enthalpy of formation: -225.358 kcal/mol - -analytic 3.3756e+001 2.8528e-002 1.2847e+003 -1.8042e+001 2.0036e+001 + -analytic 3.3756e+1 2.8528e-2 1.2847e+3 -1.8042e+1 2.0036e+1 # -Range: 0-300 -1.0000 NO3- + 1.0000 Ce+++ = CeNO3++ - -llnl_gamma 4.5 - log_k +1.3143 - -delta_H -26.6563 kJ/mol # Calculated enthalpy of reaction CeNO3+2 +NO3- + Ce+3 = CeNO3+2 + -llnl_gamma 4.5 + log_k 1.3143 + -delta_H -26.6563 kJ/mol # Calculated enthalpy of reaction CeNO3+2 # Enthalpy of formation: -223.2 kcal/mol - -analytic 2.2772e+001 2.5931e-002 1.9950e+003 -1.4490e+001 3.1124e+001 + -analytic 2.2772e+1 2.5931e-2 1.995e+3 -1.449e+1 3.1124e+1 # -Range: 0-300 -1.0000 H2O + 1.0000 Ce+++ = CeO+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -16.4103 - -delta_H 112.202 kJ/mol # Calculated enthalpy of reaction CeO+ +H2O + Ce+3 = CeO+ + 2 H+ + -llnl_gamma 4 + log_k -16.4103 + -delta_H 112.202 kJ/mol # Calculated enthalpy of reaction CeO+ # Enthalpy of formation: -208.9 kcal/mol - -analytic 1.9881e+002 3.1302e-002 -1.4331e+004 -7.1323e+001 -2.2368e+002 + -analytic 1.9881e+2 3.1302e-2 -1.4331e+4 -7.1323e+1 -2.2368e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Ce+++ = CeO2- +4.0000 H+ - -llnl_gamma 4.0 - log_k -38.758 - -delta_H 308.503 kJ/mol # Calculated enthalpy of reaction CeO2- +2 H2O + Ce+3 = CeO2- + 4 H+ + -llnl_gamma 4 + log_k -38.758 + -delta_H 308.503 kJ/mol # Calculated enthalpy of reaction CeO2- # Enthalpy of formation: -230.3 kcal/mol - -analytic 1.0059e+002 3.4824e-003 -1.5873e+004 -3.3056e+001 -4.7656e+005 + -analytic 1.0059e+2 3.4824e-3 -1.5873e+4 -3.3056e+1 -4.7656e+5 # -Range: 0-300 -2.0000 H2O + 1.0000 Ce+++ = CeO2H +3.0000 H+ - -llnl_gamma 3.0 - log_k -26.1503 - -delta_H 228.17 kJ/mol # Calculated enthalpy of reaction CeO2H +2 H2O + Ce+3 = CeO2H + 3 H+ + -llnl_gamma 3 + log_k -26.1503 + -delta_H 228.17 kJ/mol # Calculated enthalpy of reaction CeO2H # Enthalpy of formation: -249.5 kcal/mol - -analytic 3.5650e+002 4.6708e-002 -2.4320e+004 -1.2731e+002 -3.7959e+002 + -analytic 3.565e+2 4.6708e-2 -2.432e+4 -1.2731e+2 -3.7959e+2 # -Range: 0-300 -1.0000 H2O + 1.0000 Ce+++ = CeOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -8.4206 - -delta_H 73.2911 kJ/mol # Calculated enthalpy of reaction CeOH+2 +H2O + Ce+3 = CeOH+2 + H+ + -llnl_gamma 4.5 + log_k -8.4206 + -delta_H 73.2911 kJ/mol # Calculated enthalpy of reaction CeOH+2 # Enthalpy of formation: -218.2 kcal/mol - -analytic 7.5809e+001 1.2863e-002 -6.7244e+003 -2.6473e+001 -1.0495e+002 + -analytic 7.5809e+1 1.2863e-2 -6.7244e+3 -2.6473e+1 -1.0495e+2 # -Range: 0-300 -1.0000 H2O + 1.0000 Ce++++ = CeOH+++ +1.0000 H+ - -llnl_gamma 5.0 - log_k +3.2049 - -delta_H 0 # Not possible to calculate enthalpy of reaction CeOH+3 +H2O + Ce+4 = CeOH+3 + H+ + -llnl_gamma 5 + log_k 3.2049 + -delta_H 0 # Not possible to calculate enthalpy of reaction CeOH+3 # Enthalpy of formation: -0 kcal/mol - -1.0000 HPO4-- + 1.0000 Ce+++ = CePO4 +1.0000 H+ - -llnl_gamma 3.0 - log_k -0.9718 - -delta_H 0 # Not possible to calculate enthalpy of reaction CePO4 + +HPO4-2 + Ce+3 = CePO4 + H+ + -llnl_gamma 3 + log_k -0.9718 + -delta_H 0 # Not possible to calculate enthalpy of reaction CePO4 # Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Ce+++ = CeSO4+ - -llnl_gamma 4.0 - log_k -3.687 - -delta_H 19.2464 kJ/mol # Calculated enthalpy of reaction CeSO4+ + +SO4-2 + Ce+3 = CeSO4+ + -llnl_gamma 4 + log_k -3.687 + -delta_H 19.2464 kJ/mol # Calculated enthalpy of reaction CeSO4+ # Enthalpy of formation: -380.2 kcal/mol - -analytic 3.0156e+002 8.5149e-002 -1.1025e+004 -1.1866e+002 -1.7213e+002 + -analytic 3.0156e+2 8.5149e-2 -1.1025e+4 -1.1866e+2 -1.7213e+2 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Co++ = Co(Acetate)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -7.1468 - -delta_H -22.4262 kJ/mol # Calculated enthalpy of reaction Co(Acetate)2 +2 HAcetate + Co+2 = Co(Acetate)2 + 2 H+ + -llnl_gamma 3 + log_k -7.1468 + -delta_H -22.4262 kJ/mol # Calculated enthalpy of reaction Co(Acetate)2 # Enthalpy of formation: -251.46 kcal/mol - -analytic -2.0661e+001 2.9014e-003 -2.2146e+003 5.1702e+000 6.4968e+005 + -analytic -2.0661e+1 2.9014e-3 -2.2146e+3 5.1702e+0 6.4968e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Co++ = Co(Acetate)3- +3.0000 H+ - -llnl_gamma 4.0 - log_k -11.281 - -delta_H -48.2415 kJ/mol # Calculated enthalpy of reaction Co(Acetate)3- +3 HAcetate + Co+2 = Co(Acetate)3- + 3 H+ + -llnl_gamma 4 + log_k -11.281 + -delta_H -48.2415 kJ/mol # Calculated enthalpy of reaction Co(Acetate)3- # Enthalpy of formation: -373.73 kcal/mol - -analytic 6.3384e+001 -4.0669e-003 -1.4715e+004 -1.9518e+001 2.1524e+006 -# -Range: 0-300 - -2.0000 HS- + 1.0000 Co++ = Co(HS)2 - -llnl_gamma 3.0 - log_k +9.0306 - -delta_H 0 # Not possible to calculate enthalpy of reaction Co(HS)2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 Co++ = Co(OH)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -18.8 - -delta_H 0 # Not possible to calculate enthalpy of reaction Co(OH)2 -# Enthalpy of formation: -0 kcal/mol - -4.0000 H2O + 1.0000 Co++ = Co(OH)4-- +4.0000 H+ - -llnl_gamma 4.0 - log_k -45.7803 - -delta_H 0 # Not possible to calculate enthalpy of reaction Co(OH)4-2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 H2O + 2.0000 Co++ = Co2OH+++ +1.0000 H+ - -llnl_gamma 5.0 - log_k -11.2 - -delta_H 0 # Not possible to calculate enthalpy of reaction Co2OH+3 -# Enthalpy of formation: -0 kcal/mol - -4.0000 H2O + 4.0000 Co++ = Co4(OH)4++++ +4.0000 H+ - -llnl_gamma 5.5 - log_k -30.3803 - -delta_H 0 # Not possible to calculate enthalpy of reaction Co4(OH)4+4 -# Enthalpy of formation: -0 kcal/mol - -2.0000 Br- + 1.0000 Co++ = CoBr2 - -llnl_gamma 3.0 - log_k -0.0358 - -delta_H -0.56568 kJ/mol # Calculated enthalpy of reaction CoBr2 + -analytic 6.3384e+1 -4.0669e-3 -1.4715e+4 -1.9518e+1 2.1524e+6 +# -Range: 0-300 + +2 HS- + Co+2 = Co(HS)2 + -llnl_gamma 3 + log_k 9.0306 + -delta_H 0 # Not possible to calculate enthalpy of reaction Co(HS)2 +# Enthalpy of formation: -0 kcal/mol + +2 H2O + Co+2 = Co(OH)2 + 2 H+ + -llnl_gamma 3 + log_k -18.8 + -delta_H 0 # Not possible to calculate enthalpy of reaction Co(OH)2 +# Enthalpy of formation: -0 kcal/mol + +4 H2O + Co+2 = Co(OH)4-2 + 4 H+ + -llnl_gamma 4 + log_k -45.7803 + -delta_H 0 # Not possible to calculate enthalpy of reaction Co(OH)4-2 +# Enthalpy of formation: -0 kcal/mol + +H2O + 2 Co+2 = Co2OH+3 + H+ + -llnl_gamma 5 + log_k -11.2 + -delta_H 0 # Not possible to calculate enthalpy of reaction Co2OH+3 +# Enthalpy of formation: -0 kcal/mol + +4 H2O + 4 Co+2 = Co4(OH)4+4 + 4 H+ + -llnl_gamma 5.5 + log_k -30.3803 + -delta_H 0 # Not possible to calculate enthalpy of reaction Co4(OH)4+4 +# Enthalpy of formation: -0 kcal/mol + +2 Br- + Co+2 = CoBr2 + -llnl_gamma 3 + log_k -0.0358 + -delta_H -0.56568 kJ/mol # Calculated enthalpy of reaction CoBr2 # Enthalpy of formation: -301.73 kJ/mol - -analytic 5.8731e+000 8.0908e-004 -1.8986e+002 -2.2295e+000 -3.2261e+000 + -analytic 5.8731e+0 8.0908e-4 -1.8986e+2 -2.2295e+0 -3.2261e+0 # -Range: 0-200 -1.0000 Co++ + 1.0000 HAcetate = CoAcetate+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -3.2985 - -delta_H -8.70272 kJ/mol # Calculated enthalpy of reaction CoAcetate+ +Co+2 + HAcetate = CoAcetate+ + H+ + -llnl_gamma 4 + log_k -3.2985 + -delta_H -8.70272 kJ/mol # Calculated enthalpy of reaction CoAcetate+ # Enthalpy of formation: -132.08 kcal/mol - -analytic -5.4858e+000 1.9147e-003 -1.1292e+003 9.0555e-001 2.8223e+005 + -analytic -5.4858e+0 1.9147e-3 -1.1292e+3 9.0555e-1 2.8223e+5 # -Range: 0-300 -1.0000 Co++ + 1.0000 Cl- = CoCl+ - -llnl_gamma 4.0 - log_k +0.1547 - -delta_H 1.71962 kJ/mol # Calculated enthalpy of reaction CoCl+ +Co+2 + Cl- = CoCl+ + -llnl_gamma 4 + log_k 0.1547 + -delta_H 1.71962 kJ/mol # Calculated enthalpy of reaction CoCl+ # Enthalpy of formation: -53.422 kcal/mol - -analytic 1.5234e+002 5.6958e-002 -3.3258e+003 -6.3849e+001 -5.1942e+001 + -analytic 1.5234e+2 5.6958e-2 -3.3258e+3 -6.3849e+1 -5.1942e+1 # -Range: 0-300 -1.0000 HS- + 1.0000 Co++ = CoHS+ - -llnl_gamma 4.0 - log_k +5.9813 - -delta_H 0 # Not possible to calculate enthalpy of reaction CoHS+ +HS- + Co+2 = CoHS+ + -llnl_gamma 4 + log_k 5.9813 + -delta_H 0 # Not possible to calculate enthalpy of reaction CoHS+ # Enthalpy of formation: -0 kcal/mol - -2.0000 I- + 1.0000 Co++ = CoI2 - -llnl_gamma 3.0 - log_k -0.0944 - -delta_H 3.1774 kJ/mol # Calculated enthalpy of reaction CoI2 + +2 I- + Co+2 = CoI2 + -llnl_gamma 3 + log_k -0.0944 + -delta_H 3.1774 kJ/mol # Calculated enthalpy of reaction CoI2 # Enthalpy of formation: -168.785 kJ/mol - -analytic 3.6029e+001 1.0128e-002 -1.1219e+003 -1.4301e+001 -1.9064e+001 + -analytic 3.6029e+1 1.0128e-2 -1.1219e+3 -1.4301e+1 -1.9064e+1 # -Range: 0-200 -1.0000 NO3- + 1.0000 Co++ = CoNO3+ - -llnl_gamma 4.0 - log_k +0.2000 - -delta_H 0 # Not possible to calculate enthalpy of reaction CoNO3+ +NO3- + Co+2 = CoNO3+ + -llnl_gamma 4 + log_k 0.2 + -delta_H 0 # Not possible to calculate enthalpy of reaction CoNO3+ # Enthalpy of formation: -0 kcal/mol - -1.0000 Co++ + S2O3-- = CoS2O3 - -llnl_gamma 3.0 - log_k 0.8063 - -delta_H 0 # Not possible to calculate enthalpy of reaction CoS2O3 + +Co+2 + S2O3-2 = CoS2O3 + -llnl_gamma 3 + log_k 0.8063 + -delta_H 0 # Not possible to calculate enthalpy of reaction CoS2O3 # Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Co++ = CoSO4 - -llnl_gamma 3.0 - log_k +0.0436 - -delta_H 0.3842 kJ/mol # Calculated enthalpy of reaction CoSO4 + +SO4-2 + Co+2 = CoSO4 + -llnl_gamma 3 + log_k 0.0436 + -delta_H 0.3842 kJ/mol # Calculated enthalpy of reaction CoSO4 # Enthalpy of formation: -967.375 kJ/mol - -analytic 2.4606e+000 1.0086e-003 -6.1450e+001 -1.0148e+000 -1.0444e+000 -# -Range: 0-200 - -1.0000 SeO4-- + 1.0000 Co++ = CoSeO4 - -llnl_gamma 3.0 - log_k +2.7000 - -delta_H 0 # Not possible to calculate enthalpy of reaction CoSeO4 -# Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 Cr+++ = Cr(OH)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -9.7 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cr(OH)2+ -# Enthalpy of formation: -0 kcal/mol - -3.0000 H2O + 1.0000 Cr+++ = Cr(OH)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -18 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cr(OH)3 -# Enthalpy of formation: -0 kcal/mol - -4.0000 H2O + 1.0000 Cr+++ = Cr(OH)4- +4.0000 H+ - -llnl_gamma 4.0 - log_k -27.4 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cr(OH)4- -# Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 2.0000 Cr+++ = Cr2(OH)2++++ +2.0000 H+ - -llnl_gamma 5.5 - log_k -5.06 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cr2(OH)2+4 -# Enthalpy of formation: -0 kcal/mol - -2.0000 H+ + 2.0000 CrO4-- = Cr2O7-- +1.0000 H2O - -llnl_gamma 4.0 - log_k +14.5192 - -delta_H -13.8783 kJ/mol # Calculated enthalpy of reaction Cr2O7-2 + -analytic 2.4606e+0 1.0086e-3 -6.145e+1 -1.0148e+0 -1.0444e+0 +# -Range: 0-200 + +SeO4-2 + Co+2 = CoSeO4 + -llnl_gamma 3 + log_k 2.7 + -delta_H 0 # Not possible to calculate enthalpy of reaction CoSeO4 +# Enthalpy of formation: -0 kcal/mol + +2 H2O + Cr+3 = Cr(OH)2+ + 2 H+ + -llnl_gamma 4 + log_k -9.7 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cr(OH)2+ +# Enthalpy of formation: -0 kcal/mol + +3 H2O + Cr+3 = Cr(OH)3 + 3 H+ + -llnl_gamma 3 + log_k -18 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cr(OH)3 +# Enthalpy of formation: -0 kcal/mol + +4 H2O + Cr+3 = Cr(OH)4- + 4 H+ + -llnl_gamma 4 + log_k -27.4 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cr(OH)4- +# Enthalpy of formation: -0 kcal/mol + +2 H2O + 2 Cr+3 = Cr2(OH)2+4 + 2 H+ + -llnl_gamma 5.5 + log_k -5.06 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cr2(OH)2+4 +# Enthalpy of formation: -0 kcal/mol + +2 H+ + 2 CrO4-2 = Cr2O7-2 + H2O + -llnl_gamma 4 + log_k 14.5192 + -delta_H -13.8783 kJ/mol # Calculated enthalpy of reaction Cr2O7-2 # Enthalpy of formation: -356.2 kcal/mol - -analytic 1.3749e+002 6.5773e-002 -7.9472e+002 -5.6525e+001 -1.2441e+001 + -analytic 1.3749e+2 6.5773e-2 -7.9472e+2 -5.6525e+1 -1.2441e+1 # -Range: 0-300 -4.0000 H2O + 3.0000 Cr+++ = Cr3(OH)4+5 +4.0000 H+ - -llnl_gamma 6.0 - log_k -8.15 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cr3(OH)4+5 +4 H2O + 3 Cr+3 = Cr3(OH)4+5 + 4 H+ + -llnl_gamma 6 + log_k -8.15 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cr3(OH)4+5 # Enthalpy of formation: -0 kcal/mol - -1.0000 Cr+++ + 1.0000 Br- = CrBr++ - -llnl_gamma 4.5 - log_k -2.7813 - -delta_H 33.564 kJ/mol # Calculated enthalpy of reaction CrBr+2 + +Cr+3 + Br- = CrBr+2 + -llnl_gamma 4.5 + log_k -2.7813 + -delta_H 33.564 kJ/mol # Calculated enthalpy of reaction CrBr+2 # Enthalpy of formation: -78.018 kcal/mol - -analytic 9.4384e+001 3.4704e-002 -3.6750e+003 -3.8461e+001 -5.7373e+001 + -analytic 9.4384e+1 3.4704e-2 -3.675e+3 -3.8461e+1 -5.7373e+1 # -Range: 0-300 -1.0000 Cr+++ + 1.0000 Cl- = CrCl++ - -llnl_gamma 4.5 - log_k -0.149 - -delta_H 0 # Not possible to calculate enthalpy of reaction CrCl+2 +Cr+3 + Cl- = CrCl+2 + -llnl_gamma 4.5 + log_k -0.149 + -delta_H 0 # Not possible to calculate enthalpy of reaction CrCl+2 # Enthalpy of formation: -0 kcal/mol - -2.0000 Cl- + 1.0000 Cr+++ = CrCl2+ - -llnl_gamma 4.0 - log_k +0.1596 - -delta_H 41.2919 kJ/mol # Calculated enthalpy of reaction CrCl2+ + +2 Cl- + Cr+3 = CrCl2+ + -llnl_gamma 4 + log_k 0.1596 + -delta_H 41.2919 kJ/mol # Calculated enthalpy of reaction CrCl2+ # Enthalpy of formation: -126.997 kcal/mol - -analytic 2.0114e+002 7.3878e-002 -6.2218e+003 -8.1677e+001 -9.7144e+001 + -analytic 2.0114e+2 7.3878e-2 -6.2218e+3 -8.1677e+1 -9.7144e+1 # -Range: 0-300 -1.0000 Cl- + 2.000 H+ + 1.0000 CrO4-- = CrO3Cl- + 1.0000 H2O - -llnl_gamma 4.0 - log_k 7.5270 - -delta_H 0 # Not possible to calculate enthalpy of reaction CrO3Cl- +Cl- + 2 H+ + CrO4-2 = CrO3Cl- + H2O + -llnl_gamma 4 + log_k 7.527 + -delta_H 0 # Not possible to calculate enthalpy of reaction CrO3Cl- # Enthalpy of formation: -0 kcal/mol - -analytic 2.7423e+002 1.0013e-001 -6.0072e+003 -1.1168e+002 -9.3817e+001 + -analytic 2.7423e+2 1.0013e-1 -6.0072e+3 -1.1168e+2 -9.3817e+1 # -Range: 0-300 -1.0000 H2O + 1.0000 Cr+++ = CrOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -4 - -delta_H 0 # Not possible to calculate enthalpy of reaction CrOH+2 +H2O + Cr+3 = CrOH+2 + H+ + -llnl_gamma 4.5 + log_k -4 + -delta_H 0 # Not possible to calculate enthalpy of reaction CrOH+2 # Enthalpy of formation: -0 kcal/mol - -2.0000 HAcetate + 1.0000 Cs+ = Cs(Acetate)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -9.771 - -delta_H 1.2552 kJ/mol # Calculated enthalpy of reaction Cs(Acetate)2- + +2 HAcetate + Cs+ = Cs(Acetate)2- + 2 H+ + -llnl_gamma 4 + log_k -9.771 + -delta_H 1.2552 kJ/mol # Calculated enthalpy of reaction Cs(Acetate)2- # Enthalpy of formation: -293.57 kcal/mol - -analytic -1.6956e+002 -4.0378e-002 4.5773e+003 6.3241e+001 7.1475e+001 + -analytic -1.6956e+2 -4.0378e-2 4.5773e+3 6.3241e+1 7.1475e+1 # -Range: 0-300 -1.0000 Cs+ + 1.0000 Br- = CsBr - -llnl_gamma 3.0 - log_k -0.2712 - -delta_H 10.9621 kJ/mol # Calculated enthalpy of reaction CsBr +Cs+ + Br- = CsBr + -llnl_gamma 3 + log_k -0.2712 + -delta_H 10.9621 kJ/mol # Calculated enthalpy of reaction CsBr # Enthalpy of formation: -88.09 kcal/mol - -analytic 1.2064e+002 3.2000e-002 -3.8770e+003 -4.7458e+001 -6.0533e+001 + -analytic 1.2064e+2 3.2e-2 -3.877e+3 -4.7458e+1 -6.0533e+1 # -Range: 0-300 -1.0000 Cs+ + 1.0000 HAcetate = CsAcetate +1.0000 H+ - -llnl_gamma 3.0 - log_k -4.7352 - -delta_H 6.0668 kJ/mol # Calculated enthalpy of reaction CsAcetate +Cs+ + HAcetate = CsAcetate + H+ + -llnl_gamma 3 + log_k -4.7352 + -delta_H 6.0668 kJ/mol # Calculated enthalpy of reaction CsAcetate # Enthalpy of formation: -176.32 kcal/mol - -analytic 2.4280e+001 -2.8642e-003 -3.1339e+003 -8.1616e+000 2.2684e+005 + -analytic 2.428e+1 -2.8642e-3 -3.1339e+3 -8.1616e+0 2.2684e+5 # -Range: 0-300 -1.0000 Cs+ + 1.0000 Cl- = CsCl - -llnl_gamma 3.0 - log_k -0.1385 - -delta_H 2.73215 kJ/mol # Calculated enthalpy of reaction CsCl +Cs+ + Cl- = CsCl + -llnl_gamma 3 + log_k -0.1385 + -delta_H 2.73215 kJ/mol # Calculated enthalpy of reaction CsCl # Enthalpy of formation: -100.95 kcal/mol - -analytic 1.2472e+002 3.3730e-002 -3.9130e+003 -4.9212e+001 -6.1096e+001 + -analytic 1.2472e+2 3.373e-2 -3.913e+3 -4.9212e+1 -6.1096e+1 # -Range: 0-300 -1.0000 I- + 1.0000 Cs+ = CsI - -llnl_gamma 3.0 - log_k +0.2639 - -delta_H -6.56888 kJ/mol # Calculated enthalpy of reaction CsI +I- + Cs+ = CsI + -llnl_gamma 3 + log_k 0.2639 + -delta_H -6.56888 kJ/mol # Calculated enthalpy of reaction CsI # Enthalpy of formation: -76.84 kcal/mol - -analytic 1.1555e+002 3.1419e-002 -3.3496e+003 -4.5828e+001 -5.2302e+001 + -analytic 1.1555e+2 3.1419e-2 -3.3496e+3 -4.5828e+1 -5.2302e+1 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Cu++ = Cu(Acetate)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -5.8824 - -delta_H -25.899 kJ/mol # Calculated enthalpy of reaction Cu(Acetate)2 +2 HAcetate + Cu+2 = Cu(Acetate)2 + 2 H+ + -llnl_gamma 3 + log_k -5.8824 + -delta_H -25.899 kJ/mol # Calculated enthalpy of reaction Cu(Acetate)2 # Enthalpy of formation: -222.69 kcal/mol - -analytic -2.6689e+001 1.8048e-003 -1.8244e+003 7.7008e+000 6.5408e+005 + -analytic -2.6689e+1 1.8048e-3 -1.8244e+3 7.7008e+0 6.5408e+5 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Cu+ = Cu(Acetate)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -9.2139 - -delta_H -19.5476 kJ/mol # Calculated enthalpy of reaction Cu(Acetate)2- +2 HAcetate + Cu+ = Cu(Acetate)2- + 2 H+ + -llnl_gamma 4 + log_k -9.2139 + -delta_H -19.5476 kJ/mol # Calculated enthalpy of reaction Cu(Acetate)2- # Enthalpy of formation: -219.74 kcal/mol - -analytic -3.2712e+002 -5.9087e-002 1.1386e+004 1.2017e+002 1.7777e+002 + -analytic -3.2712e+2 -5.9087e-2 1.1386e+4 1.2017e+2 1.7777e+2 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Cu++ = Cu(Acetate)3- +3.0000 H+ - -llnl_gamma 4.0 - log_k -9.3788 - -delta_H -53.2205 kJ/mol # Calculated enthalpy of reaction Cu(Acetate)3- +3 HAcetate + Cu+2 = Cu(Acetate)3- + 3 H+ + -llnl_gamma 4 + log_k -9.3788 + -delta_H -53.2205 kJ/mol # Calculated enthalpy of reaction Cu(Acetate)3- # Enthalpy of formation: -345.32 kcal/mol - -analytic 3.9475e+001 -6.2867e-003 -1.3233e+004 -1.0643e+001 2.1121e+006 + -analytic 3.9475e+1 -6.2867e-3 -1.3233e+4 -1.0643e+1 2.1121e+6 # -Range: 0-300 -2.0000 HCO3- + 1.0000 Cu++ = Cu(CO3)2-- +2.0000 H+ - -llnl_gamma 4.0 - log_k -10.4757 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cu(CO3)2-2 +2 HCO3- + Cu+2 = Cu(CO3)2-2 + 2 H+ + -llnl_gamma 4 + log_k -10.4757 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cu(CO3)2-2 # Enthalpy of formation: -0 kcal/mol - -2.0000 NH3 + 1.0000 Cu++ = Cu(NH3)2++ - -llnl_gamma 4.5 - log_k +7.4512 - -delta_H -45.1269 kJ/mol # Calculated enthalpy of reaction Cu(NH3)2+2 + +2 NH3 + Cu+2 = Cu(NH3)2+2 + -llnl_gamma 4.5 + log_k 7.4512 + -delta_H -45.1269 kJ/mol # Calculated enthalpy of reaction Cu(NH3)2+2 # Enthalpy of formation: -142.112 kJ/mol - -analytic 1.1526e+002 4.8192e-003 -2.5139e+003 -4.0733e+001 -3.9261e+001 + -analytic 1.1526e+2 4.8192e-3 -2.5139e+3 -4.0733e+1 -3.9261e+1 # -Range: 0-300 -3.0000 NH3 + 1.0000 Cu++ = Cu(NH3)3++ - -llnl_gamma 4.5 - log_k +10.2719 - -delta_H -67.2779 kJ/mol # Calculated enthalpy of reaction Cu(NH3)3+2 +3 NH3 + Cu+2 = Cu(NH3)3+2 + -llnl_gamma 4.5 + log_k 10.2719 + -delta_H -67.2779 kJ/mol # Calculated enthalpy of reaction Cu(NH3)3+2 # Enthalpy of formation: -245.6 kJ/mol - -analytic 1.3945e+002 -3.8236e-004 -2.8137e+003 -4.8336e+001 -4.3946e+001 + -analytic 1.3945e+2 -3.8236e-4 -2.8137e+3 -4.8336e+1 -4.3946e+1 # -Range: 0-300 -2.0000 NO2- + 1.0000 Cu++ = Cu(NO2)2 - -llnl_gamma 3.0 - log_k +3.0300 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cu(NO2)2 +2 NO2- + Cu+2 = Cu(NO2)2 + -llnl_gamma 3 + log_k 3.03 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cu(NO2)2 # Enthalpy of formation: -0 kcal/mol - -1.0000 Cu+ + 1.0000 HAcetate = CuAcetate +1.0000 H+ - -llnl_gamma 3.0 - log_k -4.4274 - -delta_H -4.19237 kJ/mol # Calculated enthalpy of reaction CuAcetate + +Cu+ + HAcetate = CuAcetate + H+ + -llnl_gamma 3 + log_k -4.4274 + -delta_H -4.19237 kJ/mol # Calculated enthalpy of reaction CuAcetate # Enthalpy of formation: -99.97 kcal/mol - -analytic 6.3784e+000 -4.5464e-004 -1.9995e+003 -2.8359e+000 2.7224e+005 + -analytic 6.3784e+0 -4.5464e-4 -1.9995e+3 -2.8359e+0 2.7224e+5 # -Range: 0-300 -1.0000 Cu++ + 1.0000 HAcetate = CuAcetate+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.5252 - -delta_H -11.3805 kJ/mol # Calculated enthalpy of reaction CuAcetate+ +Cu+2 + HAcetate = CuAcetate+ + H+ + -llnl_gamma 4 + log_k -2.5252 + -delta_H -11.3805 kJ/mol # Calculated enthalpy of reaction CuAcetate+ # Enthalpy of formation: -103.12 kcal/mol - -analytic -1.4930e+001 5.1278e-004 -3.4874e+002 4.3605e+000 2.3504e+005 -# -Range: 0-300 - -2.0000 H2O + 1.0000 HCO3- + 1.0000 Cu++ = CuCO3(OH)2-- +3.0000 H+ - -llnl_gamma 4.0 - log_k -23.444 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuCO3(OH)2-2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 HCO3- + 1.0000 Cu++ = CuCO3 +1.0000 H+ - -llnl_gamma 3.0 - log_k -3.3735 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuCO3 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Cu++ + 1.0000 Cl- = CuCl+ - -llnl_gamma 4.0 - log_k +0.4370 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuCl+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 Cl- + 1.0000 Cu++ = CuCl2 - -llnl_gamma 3.0 - log_k +0.1585 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuCl2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 Cl- + 1.0000 Cu+ = CuCl2- - -llnl_gamma 4.0 - log_k +4.8212 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuCl2- -# Enthalpy of formation: -0 kcal/mol - -3.0000 Cl- + 1.0000 Cu+ = CuCl3-- - -llnl_gamma 4.0 - log_k +5.6289 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuCl3-2 -# Enthalpy of formation: -0 kcal/mol - -4.0000 Cl- + 1.0000 Cu++ = CuCl4-- - -llnl_gamma 4.0 - log_k -4.5681 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuCl4-2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 F- + 1.0000 Cu++ = CuF+ - -llnl_gamma 4.0 - log_k +1.2000 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuF+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 HPO4-- + 1.0000 H+ + 1.0000 Cu++ = CuH2PO4+ - -llnl_gamma 4.0 - log_k +8.9654 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuH2PO4+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 HPO4-- + 1.0000 Cu++ = CuHPO4 - -llnl_gamma 3.0 - log_k +4.0600 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuHPO4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 NH3 + 1.0000 Cu++ = CuNH3++ - -llnl_gamma 4.5 - log_k +4.0400 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuNH3+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 NO2- + 1.0000 Cu++ = CuNO2+ - -llnl_gamma 4.0 - log_k +2.0200 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuNO2+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 Cu++ = CuO2-- +4.0000 H+ - -llnl_gamma 4.0 - log_k -39.4497 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuO2-2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 H2O + 1.0000 Cu++ = CuOH+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -7.2875 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuOH+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 HPO4-- + 1.0000 Cu++ = CuPO4- +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.4718 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuPO4- -# Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Cu++ = CuSO4 - -llnl_gamma 0.0 - log_k +2.3600 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuSO4 -# Enthalpy of formation: -0 kcal/mol - -2.0000 HAcetate + 1.0000 Dy+++ = Dy(Acetate)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -4.9625 - -delta_H -29.3298 kJ/mol # Calculated enthalpy of reaction Dy(Acetate)2+ -# Enthalpy of formation: -405.71 kcal/mol - -analytic -2.7249e+001 2.7507e-003 -1.7500e+003 7.9356e+000 6.8668e+005 + -analytic -1.493e+1 5.1278e-4 -3.4874e+2 4.3605e+0 2.3504e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Dy+++ = Dy(Acetate)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -8.3489 - -delta_H -49.4549 kJ/mol # Calculated enthalpy of reaction Dy(Acetate)3 -# Enthalpy of formation: -526.62 kcal/mol - -analytic -2.4199e+001 6.2065e-003 -2.8937e+003 5.0176e+000 1.0069e+006 -# -Range: 0-300 +2 H2O + HCO3- + Cu+2 = CuCO3(OH)2-2 + 3 H+ + -llnl_gamma 4 + log_k -23.444 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuCO3(OH)2-2 +# Enthalpy of formation: -0 kcal/mol -2.0000 HCO3- + 1.0000 Dy+++ = Dy(CO3)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -7.4576 - -delta_H 0 # Not possible to calculate enthalpy of reaction Dy(CO3)2- +HCO3- + Cu+2 = CuCO3 + H+ + -llnl_gamma 3 + log_k -3.3735 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuCO3 # Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Dy+++ = Dy(HPO4)2- - -llnl_gamma 4.0 - log_k +9.8000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Dy(HPO4)2- + +Cu+2 + Cl- = CuCl+ + -llnl_gamma 4 + log_k 0.437 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuCl+ # Enthalpy of formation: -0 kcal/mol - -# Redundant with DyO2- -#4.0000 H2O + 1.0000 Dy+++ = Dy(OH)4- +4.0000 H+ -# -llnl_gamma 4.0 -# log_k -33.4803 -# -delta_H 0 # Not possible to calculate enthalpy of reaction Dy(OH)4- + +2 Cl- + Cu+2 = CuCl2 + -llnl_gamma 3 + log_k 0.1585 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuCl2 # Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Dy+++ = Dy(PO4)2--- +2.0000 H+ - -llnl_gamma 4.0 - log_k -3.4437 - -delta_H 0 # Not possible to calculate enthalpy of reaction Dy(PO4)2-3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 Dy+++ = Dy(SO4)2- - -llnl_gamma 4.0 - log_k +5.0000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Dy(SO4)2- -# Enthalpy of formation: -0 kcal/mol - -1.0000 Dy+++ + 1.0000 HAcetate = DyAcetate++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -2.1037 - -delta_H -14.8532 kJ/mol # Calculated enthalpy of reaction DyAcetate+2 -# Enthalpy of formation: -286.15 kcal/mol - -analytic -1.3635e+001 1.7329e-003 -9.4636e+002 4.0900e+000 3.6282e+005 -# -Range: 0-300 -1.0000 HCO3- + 1.0000 Dy+++ = DyCO3+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.3324 - -delta_H 89.1108 kJ/mol # Calculated enthalpy of reaction DyCO3+ -# Enthalpy of formation: -310.1 kcal/mol - -analytic 2.3742e+002 5.4342e-002 -6.9953e+003 -9.3949e+001 -1.0922e+002 -# -Range: 0-300 +2 Cl- + Cu+ = CuCl2- + -llnl_gamma 4 + log_k 4.8212 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuCl2- +# Enthalpy of formation: -0 kcal/mol + +3 Cl- + Cu+ = CuCl3-2 + -llnl_gamma 4 + log_k 5.6289 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuCl3-2 +# Enthalpy of formation: -0 kcal/mol + +4 Cl- + Cu+2 = CuCl4-2 + -llnl_gamma 4 + log_k -4.5681 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuCl4-2 +# Enthalpy of formation: -0 kcal/mol + +F- + Cu+2 = CuF+ + -llnl_gamma 4 + log_k 1.2 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuF+ +# Enthalpy of formation: -0 kcal/mol + +HPO4-2 + H+ + Cu+2 = CuH2PO4+ + -llnl_gamma 4 + log_k 8.9654 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuH2PO4+ +# Enthalpy of formation: -0 kcal/mol + +HPO4-2 + Cu+2 = CuHPO4 + -llnl_gamma 3 + log_k 4.06 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuHPO4 +# Enthalpy of formation: -0 kcal/mol + +NH3 + Cu+2 = CuNH3+2 + -llnl_gamma 4.5 + log_k 4.04 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuNH3+2 +# Enthalpy of formation: -0 kcal/mol + +NO2- + Cu+2 = CuNO2+ + -llnl_gamma 4 + log_k 2.02 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuNO2+ +# Enthalpy of formation: -0 kcal/mol + +2 H2O + Cu+2 = CuO2-2 + 4 H+ + -llnl_gamma 4 + log_k -39.4497 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuO2-2 +# Enthalpy of formation: -0 kcal/mol + +H2O + Cu+2 = CuOH+ + H+ + -llnl_gamma 4 + log_k -7.2875 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuOH+ +# Enthalpy of formation: -0 kcal/mol + +HPO4-2 + Cu+2 = CuPO4- + H+ + -llnl_gamma 4 + log_k -2.4718 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuPO4- +# Enthalpy of formation: -0 kcal/mol + +SO4-2 + Cu+2 = CuSO4 + -llnl_gamma 0 + log_k 2.36 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuSO4 +# Enthalpy of formation: -0 kcal/mol + +2 HAcetate + Dy+3 = Dy(Acetate)2+ + 2 H+ + -llnl_gamma 4 + log_k -4.9625 + -delta_H -29.3298 kJ/mol # Calculated enthalpy of reaction Dy(Acetate)2+ +# Enthalpy of formation: -405.71 kcal/mol + -analytic -2.7249e+1 2.7507e-3 -1.75e+3 7.9356e+0 6.8668e+5 +# -Range: 0-300 + +3 HAcetate + Dy+3 = Dy(Acetate)3 + 3 H+ + -llnl_gamma 3 + log_k -8.3489 + -delta_H -49.4549 kJ/mol # Calculated enthalpy of reaction Dy(Acetate)3 +# Enthalpy of formation: -526.62 kcal/mol + -analytic -2.4199e+1 6.2065e-3 -2.8937e+3 5.0176e+0 1.0069e+6 +# -Range: 0-300 + +2 HCO3- + Dy+3 = Dy(CO3)2- + 2 H+ + -llnl_gamma 4 + log_k -7.4576 + -delta_H 0 # Not possible to calculate enthalpy of reaction Dy(CO3)2- +# Enthalpy of formation: -0 kcal/mol -1.0000 Dy+++ + 1.0000 Cl- = DyCl++ - -llnl_gamma 4.5 - log_k +0.2353 - -delta_H 13.5269 kJ/mol # Calculated enthalpy of reaction DyCl+2 +2 HPO4-2 + Dy+3 = Dy(HPO4)2- + -llnl_gamma 4 + log_k 9.8 + -delta_H 0 # Not possible to calculate enthalpy of reaction Dy(HPO4)2- +# Enthalpy of formation: -0 kcal/mol + +# Redundant with DyO2- +#4.0000 H2O + 1.0000 Dy+++ = Dy(OH)4- +4.0000 H+ +# -llnl_gamma 4.0 +# log_k -33.4803 +# -delta_H 0 # Not possible to calculate enthalpy of reaction Dy(OH)4- +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Dy+3 = Dy(PO4)2-3 + 2 H+ + -llnl_gamma 4 + log_k -3.4437 + -delta_H 0 # Not possible to calculate enthalpy of reaction Dy(PO4)2-3 +# Enthalpy of formation: -0 kcal/mol + +2 SO4-2 + Dy+3 = Dy(SO4)2- + -llnl_gamma 4 + log_k 5 + -delta_H 0 # Not possible to calculate enthalpy of reaction Dy(SO4)2- +# Enthalpy of formation: -0 kcal/mol + +Dy+3 + HAcetate = DyAcetate+2 + H+ + -llnl_gamma 4.5 + log_k -2.1037 + -delta_H -14.8532 kJ/mol # Calculated enthalpy of reaction DyAcetate+2 +# Enthalpy of formation: -286.15 kcal/mol + -analytic -1.3635e+1 1.7329e-3 -9.4636e+2 4.09e+0 3.6282e+5 +# -Range: 0-300 + +HCO3- + Dy+3 = DyCO3+ + H+ + -llnl_gamma 4 + log_k -2.3324 + -delta_H 89.1108 kJ/mol # Calculated enthalpy of reaction DyCO3+ +# Enthalpy of formation: -310.1 kcal/mol + -analytic 2.3742e+2 5.4342e-2 -6.9953e+3 -9.3949e+1 -1.0922e+2 +# -Range: 0-300 + +Dy+3 + Cl- = DyCl+2 + -llnl_gamma 4.5 + log_k 0.2353 + -delta_H 13.5269 kJ/mol # Calculated enthalpy of reaction DyCl+2 # Enthalpy of formation: -203.2 kcal/mol - -analytic 6.9134e+001 3.7129e-002 -1.3839e+003 -3.0432e+001 -2.1615e+001 + -analytic 6.9134e+1 3.7129e-2 -1.3839e+3 -3.0432e+1 -2.1615e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Dy+++ = DyCl2+ - -llnl_gamma 4.0 - log_k -0.0425 - -delta_H 17.4305 kJ/mol # Calculated enthalpy of reaction DyCl2+ +2 Cl- + Dy+3 = DyCl2+ + -llnl_gamma 4 + log_k -0.0425 + -delta_H 17.4305 kJ/mol # Calculated enthalpy of reaction DyCl2+ # Enthalpy of formation: -242.2 kcal/mol - -analytic 1.8868e+002 7.7901e-002 -4.3528e+003 -7.9735e+001 -6.7978e+001 + -analytic 1.8868e+2 7.7901e-2 -4.3528e+3 -7.9735e+1 -6.7978e+1 # -Range: 0-300 -3.0000 Cl- + 1.0000 Dy+++ = DyCl3 - -llnl_gamma 3.0 - log_k -0.4669 - -delta_H 8.78222 kJ/mol # Calculated enthalpy of reaction DyCl3 +3 Cl- + Dy+3 = DyCl3 + -llnl_gamma 3 + log_k -0.4669 + -delta_H 8.78222 kJ/mol # Calculated enthalpy of reaction DyCl3 # Enthalpy of formation: -284.2 kcal/mol - -analytic 3.6761e+002 1.2471e-001 -9.0651e+003 -1.5147e+002 -1.4156e+002 + -analytic 3.6761e+2 1.2471e-1 -9.0651e+3 -1.5147e+2 -1.4156e+2 # -Range: 0-300 -4.0000 Cl- + 1.0000 Dy+++ = DyCl4- - -llnl_gamma 4.0 - log_k -0.8913 - -delta_H -14.0917 kJ/mol # Calculated enthalpy of reaction DyCl4- +4 Cl- + Dy+3 = DyCl4- + -llnl_gamma 4 + log_k -0.8913 + -delta_H -14.0917 kJ/mol # Calculated enthalpy of reaction DyCl4- # Enthalpy of formation: -329.6 kcal/mol - -analytic 3.9134e+002 1.2288e-001 -9.2351e+003 -1.6078e+002 -1.4422e+002 + -analytic 3.9134e+2 1.2288e-1 -9.2351e+3 -1.6078e+2 -1.4422e+2 # -Range: 0-300 -1.0000 F- + 1.0000 Dy+++ = DyF++ - -llnl_gamma 4.5 - log_k +4.6619 - -delta_H 23.2212 kJ/mol # Calculated enthalpy of reaction DyF+2 +F- + Dy+3 = DyF+2 + -llnl_gamma 4.5 + log_k 4.6619 + -delta_H 23.2212 kJ/mol # Calculated enthalpy of reaction DyF+2 # Enthalpy of formation: -241.1 kcal/mol - -analytic 9.1120e+001 4.1193e-002 -2.3302e+003 -3.6734e+001 -3.6388e+001 + -analytic 9.112e+1 4.1193e-2 -2.3302e+3 -3.6734e+1 -3.6388e+1 # -Range: 0-300 -2.0000 F- + 1.0000 Dy+++ = DyF2+ - -llnl_gamma 4.0 - log_k +8.1510 - -delta_H 12.552 kJ/mol # Calculated enthalpy of reaction DyF2+ +2 F- + Dy+3 = DyF2+ + -llnl_gamma 4 + log_k 8.151 + -delta_H 12.552 kJ/mol # Calculated enthalpy of reaction DyF2+ # Enthalpy of formation: -323.8 kcal/mol - -analytic 2.1325e+002 8.2483e-002 -4.5864e+003 -8.6587e+001 -7.1629e+001 + -analytic 2.1325e+2 8.2483e-2 -4.5864e+3 -8.6587e+1 -7.1629e+1 # -Range: 0-300 -3.0000 F- + 1.0000 Dy+++ = DyF3 - -llnl_gamma 3.0 - log_k +10.7605 - -delta_H -11.9244 kJ/mol # Calculated enthalpy of reaction DyF3 +3 F- + Dy+3 = DyF3 + -llnl_gamma 3 + log_k 10.7605 + -delta_H -11.9244 kJ/mol # Calculated enthalpy of reaction DyF3 # Enthalpy of formation: -409.8 kcal/mol - -analytic 3.9766e+002 1.3143e-001 -8.5607e+003 -1.6056e+002 -1.3370e+002 + -analytic 3.9766e+2 1.3143e-1 -8.5607e+3 -1.6056e+2 -1.337e+2 # -Range: 0-300 -4.0000 F- + 1.0000 Dy+++ = DyF4- - -llnl_gamma 4.0 - log_k +12.8569 - -delta_H -57.3208 kJ/mol # Calculated enthalpy of reaction DyF4- +4 F- + Dy+3 = DyF4- + -llnl_gamma 4 + log_k 12.8569 + -delta_H -57.3208 kJ/mol # Calculated enthalpy of reaction DyF4- # Enthalpy of formation: -500.8 kcal/mol - -analytic 4.1672e+002 1.2922e-001 -7.4445e+003 -1.6867e+002 -1.1629e+002 + -analytic 4.1672e+2 1.2922e-1 -7.4445e+3 -1.6867e+2 -1.1629e+2 # -Range: 0-300 -1.0000 HPO4-- + 1.0000 H+ + 1.0000 Dy+++ = DyH2PO4++ - -llnl_gamma 4.5 - log_k +9.3751 - -delta_H -18.3468 kJ/mol # Calculated enthalpy of reaction DyH2PO4+2 +HPO4-2 + H+ + Dy+3 = DyH2PO4+2 + -llnl_gamma 4.5 + log_k 9.3751 + -delta_H -18.3468 kJ/mol # Calculated enthalpy of reaction DyH2PO4+2 # Enthalpy of formation: -479.7 kcal/mol - -analytic 9.8183e+001 6.2578e-002 7.1784e+002 -4.4383e+001 1.1172e+001 + -analytic 9.8183e+1 6.2578e-2 7.1784e+2 -4.4383e+1 1.1172e+1 # -Range: 0-300 -1.0000 HCO3- + 1.0000 Dy+++ = DyHCO3++ - -llnl_gamma 4.5 - log_k +1.6991 - -delta_H 7.10443 kJ/mol # Calculated enthalpy of reaction DyHCO3+2 +HCO3- + Dy+3 = DyHCO3+2 + -llnl_gamma 4.5 + log_k 1.6991 + -delta_H 7.10443 kJ/mol # Calculated enthalpy of reaction DyHCO3+2 # Enthalpy of formation: -329.7 kcal/mol - -analytic 2.8465e+001 3.0703e-002 3.9229e+002 -1.5036e+001 6.1127e+000 + -analytic 2.8465e+1 3.0703e-2 3.9229e+2 -1.5036e+1 6.1127e+0 # -Range: 0-300 -1.0000 HPO4-- + 1.0000 Dy+++ = DyHPO4+ - -llnl_gamma 4.0 - log_k +5.8000 - -delta_H 0 # Not possible to calculate enthalpy of reaction DyHPO4+ +HPO4-2 + Dy+3 = DyHPO4+ + -llnl_gamma 4 + log_k 5.8 + -delta_H 0 # Not possible to calculate enthalpy of reaction DyHPO4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 NO3- + 1.0000 Dy+++ = DyNO3++ - -llnl_gamma 4.5 - log_k +0.1415 - -delta_H -30.4219 kJ/mol # Calculated enthalpy of reaction DyNO3+2 + +NO3- + Dy+3 = DyNO3+2 + -llnl_gamma 4.5 + log_k 0.1415 + -delta_H -30.4219 kJ/mol # Calculated enthalpy of reaction DyNO3+2 # Enthalpy of formation: -223.2 kcal/mol - -analytic 6.4353e+000 2.4556e-002 2.5866e+003 -8.9975e+000 4.0359e+001 + -analytic 6.4353e+0 2.4556e-2 2.5866e+3 -8.9975e+0 4.0359e+1 # -Range: 0-300 -1.0000 H2O + 1.0000 Dy+++ = DyO+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -16.1171 - -delta_H 108.018 kJ/mol # Calculated enthalpy of reaction DyO+ +H2O + Dy+3 = DyO+ + 2 H+ + -llnl_gamma 4 + log_k -16.1171 + -delta_H 108.018 kJ/mol # Calculated enthalpy of reaction DyO+ # Enthalpy of formation: -209 kcal/mol - -analytic 1.9069e+002 3.0358e-002 -1.3796e+004 -6.8532e+001 -2.1532e+002 + -analytic 1.9069e+2 3.0358e-2 -1.3796e+4 -6.8532e+1 -2.1532e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Dy+++ = DyO2- +4.0000 H+ - -llnl_gamma 4.0 - log_k -33.4804 - -delta_H 273.776 kJ/mol # Calculated enthalpy of reaction DyO2- +2 H2O + Dy+3 = DyO2- + 4 H+ + -llnl_gamma 4 + log_k -33.4804 + -delta_H 273.776 kJ/mol # Calculated enthalpy of reaction DyO2- # Enthalpy of formation: -237.7 kcal/mol - -analytic 7.7395e+001 4.4204e-004 -1.3570e+004 -2.4546e+001 -4.2320e+005 + -analytic 7.7395e+1 4.4204e-4 -1.357e+4 -2.4546e+1 -4.232e+5 # -Range: 0-300 -2.0000 H2O + 1.0000 Dy+++ = DyO2H +3.0000 H+ - -llnl_gamma 3.0 - log_k -24.8309 - -delta_H 217.71 kJ/mol # Calculated enthalpy of reaction DyO2H +2 H2O + Dy+3 = DyO2H + 3 H+ + -llnl_gamma 3 + log_k -24.8309 + -delta_H 217.71 kJ/mol # Calculated enthalpy of reaction DyO2H # Enthalpy of formation: -251.1 kcal/mol - -analytic 3.3576e+002 4.6004e-002 -2.2868e+004 -1.2027e+002 -3.5693e+002 + -analytic 3.3576e+2 4.6004e-2 -2.2868e+4 -1.2027e+2 -3.5693e+2 # -Range: 0-300 -1.0000 H2O + 1.0000 Dy+++ = DyOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -7.8342 - -delta_H 76.6383 kJ/mol # Calculated enthalpy of reaction DyOH+2 +H2O + Dy+3 = DyOH+2 + H+ + -llnl_gamma 4.5 + log_k -7.8342 + -delta_H 76.6383 kJ/mol # Calculated enthalpy of reaction DyOH+2 # Enthalpy of formation: -216.5 kcal/mol - -analytic 7.0856e+001 1.2473e-002 -6.2419e+003 -2.4841e+001 -9.7420e+001 + -analytic 7.0856e+1 1.2473e-2 -6.2419e+3 -2.4841e+1 -9.742e+1 # -Range: 0-300 -1.0000 HPO4-- + 1.0000 Dy+++ = DyPO4 +1.0000 H+ - -llnl_gamma 3.0 - log_k +0.1782 - -delta_H 0 # Not possible to calculate enthalpy of reaction DyPO4 +HPO4-2 + Dy+3 = DyPO4 + H+ + -llnl_gamma 3 + log_k 0.1782 + -delta_H 0 # Not possible to calculate enthalpy of reaction DyPO4 # Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Dy+++ = DySO4+ - -llnl_gamma 4.0 - log_k +3.6430 - -delta_H 20.5016 kJ/mol # Calculated enthalpy of reaction DySO4+ + +SO4-2 + Dy+3 = DySO4+ + -llnl_gamma 4 + log_k 3.643 + -delta_H 20.5016 kJ/mol # Calculated enthalpy of reaction DySO4+ # Enthalpy of formation: -379 kcal/mol - -analytic 3.0672e+002 8.6459e-002 -9.0386e+003 -1.2063e+002 -1.4113e+002 + -analytic 3.0672e+2 8.6459e-2 -9.0386e+3 -1.2063e+2 -1.4113e+2 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Er+++ = Er(Acetate)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -4.9844 - -delta_H -32.8026 kJ/mol # Calculated enthalpy of reaction Er(Acetate)2+ +2 HAcetate + Er+3 = Er(Acetate)2+ + 2 H+ + -llnl_gamma 4 + log_k -4.9844 + -delta_H -32.8026 kJ/mol # Calculated enthalpy of reaction Er(Acetate)2+ # Enthalpy of formation: -408.54 kcal/mol - -analytic -3.1458e+001 1.4715e-003 -1.0556e+003 9.1586e+000 6.1669e+005 + -analytic -3.1458e+1 1.4715e-3 -1.0556e+3 9.1586e+0 6.1669e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Er+++ = Er(Acetate)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -8.3783 - -delta_H -55.187 kJ/mol # Calculated enthalpy of reaction Er(Acetate)3 +3 HAcetate + Er+3 = Er(Acetate)3 + 3 H+ + -llnl_gamma 3 + log_k -8.3783 + -delta_H -55.187 kJ/mol # Calculated enthalpy of reaction Er(Acetate)3 # Enthalpy of formation: -529.99 kcal/mol - -analytic -2.1575e+001 5.9740e-003 -2.0489e+003 3.3624e+000 8.8933e+005 + -analytic -2.1575e+1 5.974e-3 -2.0489e+3 3.3624e+0 8.8933e+5 # -Range: 0-300 -2.0000 HCO3- + 1.0000 Er+++ = Er(CO3)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -7.2576 - -delta_H 0 # Not possible to calculate enthalpy of reaction Er(CO3)2- +2 HCO3- + Er+3 = Er(CO3)2- + 2 H+ + -llnl_gamma 4 + log_k -7.2576 + -delta_H 0 # Not possible to calculate enthalpy of reaction Er(CO3)2- # Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Er+++ = Er(HPO4)2- - -llnl_gamma 4.0 - log_k +10.0000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Er(HPO4)2- + +2 HPO4-2 + Er+3 = Er(HPO4)2- + -llnl_gamma 4 + log_k 10 + -delta_H 0 # Not possible to calculate enthalpy of reaction Er(HPO4)2- # Enthalpy of formation: -0 kcal/mol - + # Redundant with ErO2- #4.0000 H2O + 1.0000 Er+++ = Er(OH)4- +4.0000 H+ -# -llnl_gamma 4.0 +# -llnl_gamma 4.0 # log_k -32.5803 # -delta_H 0 # Not possible to calculate enthalpy of reaction Er(OH)4- # Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Er+++ = Er(PO4)2--- +2.0000 H+ - -llnl_gamma 4.0 - log_k -3.2437 - -delta_H 0 # Not possible to calculate enthalpy of reaction Er(PO4)2-3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 Er+++ = Er(SO4)2- - -llnl_gamma 4.0 - log_k +5.0000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Er(SO4)2- -# Enthalpy of formation: -0 kcal/mol - -1.0000 Er+++ + 1.0000 HAcetate = ErAcetate++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -2.1184 - -delta_H -16.4013 kJ/mol # Calculated enthalpy of reaction ErAcetate+2 + +2 HPO4-2 + Er+3 = Er(PO4)2-3 + 2 H+ + -llnl_gamma 4 + log_k -3.2437 + -delta_H 0 # Not possible to calculate enthalpy of reaction Er(PO4)2-3 +# Enthalpy of formation: -0 kcal/mol + +2 SO4-2 + Er+3 = Er(SO4)2- + -llnl_gamma 4 + log_k 5 + -delta_H 0 # Not possible to calculate enthalpy of reaction Er(SO4)2- +# Enthalpy of formation: -0 kcal/mol + +Er+3 + HAcetate = ErAcetate+2 + H+ + -llnl_gamma 4.5 + log_k -2.1184 + -delta_H -16.4013 kJ/mol # Calculated enthalpy of reaction ErAcetate+2 # Enthalpy of formation: -288.52 kcal/mol - -analytic -1.2519e+001 1.5558e-003 -8.5344e+002 3.5918e+000 3.4888e+005 + -analytic -1.2519e+1 1.5558e-3 -8.5344e+2 3.5918e+0 3.4888e+5 # -Range: 0-300 -1.0000 HCO3- + 1.0000 Er+++ = ErCO3+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.1858 - -delta_H 87.0188 kJ/mol # Calculated enthalpy of reaction ErCO3+ +HCO3- + Er+3 = ErCO3+ + H+ + -llnl_gamma 4 + log_k -2.1858 + -delta_H 87.0188 kJ/mol # Calculated enthalpy of reaction ErCO3+ # Enthalpy of formation: -312.6 kcal/mol - -analytic 2.3838e+002 5.4549e-002 -6.9433e+003 -9.4373e+001 -1.0841e+002 + -analytic 2.3838e+2 5.4549e-2 -6.9433e+3 -9.4373e+1 -1.0841e+2 # -Range: 0-300 -1.0000 Er+++ + 1.0000 Cl- = ErCl++ - -llnl_gamma 4.5 - log_k +0.3086 - -delta_H 12.6901 kJ/mol # Calculated enthalpy of reaction ErCl+2 +Er+3 + Cl- = ErCl+2 + -llnl_gamma 4.5 + log_k 0.3086 + -delta_H 12.6901 kJ/mol # Calculated enthalpy of reaction ErCl+2 # Enthalpy of formation: -205.4 kcal/mol - -analytic 7.4113e+001 3.7462e-002 -1.5300e+003 -3.2257e+001 -2.3896e+001 + -analytic 7.4113e+1 3.7462e-2 -1.53e+3 -3.2257e+1 -2.3896e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Er+++ = ErCl2+ - -llnl_gamma 4.0 - log_k -0.0425 - -delta_H 15.3385 kJ/mol # Calculated enthalpy of reaction ErCl2+ +2 Cl- + Er+3 = ErCl2+ + -llnl_gamma 4 + log_k -0.0425 + -delta_H 15.3385 kJ/mol # Calculated enthalpy of reaction ErCl2+ # Enthalpy of formation: -244.7 kcal/mol - -analytic 2.0259e+002 7.8907e-002 -4.8271e+003 -8.4835e+001 -7.5382e+001 + -analytic 2.0259e+2 7.8907e-2 -4.8271e+3 -8.4835e+1 -7.5382e+1 # -Range: 0-300 -3.0000 Cl- + 1.0000 Er+++ = ErCl3 - -llnl_gamma 3.0 - log_k -0.4669 - -delta_H 5.01662 kJ/mol # Calculated enthalpy of reaction ErCl3 +3 Cl- + Er+3 = ErCl3 + -llnl_gamma 3 + log_k -0.4669 + -delta_H 5.01662 kJ/mol # Calculated enthalpy of reaction ErCl3 # Enthalpy of formation: -287.1 kcal/mol - -analytic 3.9721e+002 1.2757e-001 -1.0045e+004 -1.6244e+002 -1.5686e+002 + -analytic 3.9721e+2 1.2757e-1 -1.0045e+4 -1.6244e+2 -1.5686e+2 # -Range: 0-300 -4.0000 Cl- + 1.0000 Er+++ = ErCl4- - -llnl_gamma 4.0 - log_k -0.8913 - -delta_H -20.7861 kJ/mol # Calculated enthalpy of reaction ErCl4- +4 Cl- + Er+3 = ErCl4- + -llnl_gamma 4 + log_k -0.8913 + -delta_H -20.7861 kJ/mol # Calculated enthalpy of reaction ErCl4- # Enthalpy of formation: -333.2 kcal/mol - -analytic 4.3471e+002 1.2627e-001 -1.0669e+004 -1.7677e+002 -1.6660e+002 + -analytic 4.3471e+2 1.2627e-1 -1.0669e+4 -1.7677e+2 -1.666e+2 # -Range: 0-300 -1.0000 F- + 1.0000 Er+++ = ErF++ - -llnl_gamma 4.5 - log_k +4.7352 - -delta_H 24.058 kJ/mol # Calculated enthalpy of reaction ErF+2 +F- + Er+3 = ErF+2 + -llnl_gamma 4.5 + log_k 4.7352 + -delta_H 24.058 kJ/mol # Calculated enthalpy of reaction ErF+2 # Enthalpy of formation: -242.9 kcal/mol - -analytic 9.7079e+001 4.1707e-002 -2.6028e+003 -3.8805e+001 -4.0643e+001 + -analytic 9.7079e+1 4.1707e-2 -2.6028e+3 -3.8805e+1 -4.0643e+1 # -Range: 0-300 -2.0000 F- + 1.0000 Er+++ = ErF2+ - -llnl_gamma 4.0 - log_k +8.2976 - -delta_H 12.9704 kJ/mol # Calculated enthalpy of reaction ErF2+ +2 F- + Er+3 = ErF2+ + -llnl_gamma 4 + log_k 8.2976 + -delta_H 12.9704 kJ/mol # Calculated enthalpy of reaction ErF2+ # Enthalpy of formation: -325.7 kcal/mol - -analytic 2.2892e+002 8.3842e-002 -5.2174e+003 -9.2172e+001 -8.1481e+001 + -analytic 2.2892e+2 8.3842e-2 -5.2174e+3 -9.2172e+1 -8.1481e+1 # -Range: 0-300 -3.0000 F- + 1.0000 Er+++ = ErF3 - -llnl_gamma 3.0 - log_k +10.9071 - -delta_H -12.3428 kJ/mol # Calculated enthalpy of reaction ErF3 +3 F- + Er+3 = ErF3 + -llnl_gamma 3 + log_k 10.9071 + -delta_H -12.3428 kJ/mol # Calculated enthalpy of reaction ErF3 # Enthalpy of formation: -411.9 kcal/mol - -analytic 4.2782e+002 1.3425e-001 -9.7064e+003 -1.7148e+002 -1.5158e+002 + -analytic 4.2782e+2 1.3425e-1 -9.7064e+3 -1.7148e+2 -1.5158e+2 # -Range: 0-300 -4.0000 F- + 1.0000 Er+++ = ErF4- - -llnl_gamma 4.0 - log_k +13.0768 - -delta_H -60.2496 kJ/mol # Calculated enthalpy of reaction ErF4- +4 F- + Er+3 = ErF4- + -llnl_gamma 4 + log_k 13.0768 + -delta_H -60.2496 kJ/mol # Calculated enthalpy of reaction ErF4- # Enthalpy of formation: -503.5 kcal/mol - -analytic 4.6524e+002 1.3372e-001 -9.1895e+003 -1.8636e+002 -1.4353e+002 + -analytic 4.6524e+2 1.3372e-1 -9.1895e+3 -1.8636e+2 -1.4353e+2 # -Range: 0-300 -1.0000 HPO4-- + 1.0000 H+ + 1.0000 Er+++ = ErH2PO4++ - -llnl_gamma 4.5 - log_k +9.4484 - -delta_H -20.4388 kJ/mol # Calculated enthalpy of reaction ErH2PO4+2 +HPO4-2 + H+ + Er+3 = ErH2PO4+2 + -llnl_gamma 4.5 + log_k 9.4484 + -delta_H -20.4388 kJ/mol # Calculated enthalpy of reaction ErH2PO4+2 # Enthalpy of formation: -482.2 kcal/mol - -analytic 1.0254e+002 6.2786e-002 6.3590e+002 -4.6029e+001 9.8920e+000 + -analytic 1.0254e+2 6.2786e-2 6.359e+2 -4.6029e+1 9.892e+0 # -Range: 0-300 -1.0000 HCO3- + 1.0000 Er+++ = ErHCO3++ - -llnl_gamma 4.5 - log_k +1.7724 - -delta_H 5.01243 kJ/mol # Calculated enthalpy of reaction ErHCO3+2 +HCO3- + Er+3 = ErHCO3+2 + -llnl_gamma 4.5 + log_k 1.7724 + -delta_H 5.01243 kJ/mol # Calculated enthalpy of reaction ErHCO3+2 # Enthalpy of formation: -332.2 kcal/mol - -analytic 3.2450e+001 3.0822e-002 3.1601e+002 -1.6528e+001 4.9212e+000 + -analytic 3.245e+1 3.0822e-2 3.1601e+2 -1.6528e+1 4.9212e+0 # -Range: 0-300 -1.0000 HPO4-- + 1.0000 Er+++ = ErHPO4+ - -llnl_gamma 4.0 - log_k +5.9000 - -delta_H 0 # Not possible to calculate enthalpy of reaction ErHPO4+ +HPO4-2 + Er+3 = ErHPO4+ + -llnl_gamma 4 + log_k 5.9 + -delta_H 0 # Not possible to calculate enthalpy of reaction ErHPO4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 NO3- + 1.0000 Er+++ = ErNO3++ - -llnl_gamma 4.5 - log_k +0.1415 - -delta_H -33.7691 kJ/mol # Calculated enthalpy of reaction ErNO3+2 + +NO3- + Er+3 = ErNO3+2 + -llnl_gamma 4.5 + log_k 0.1415 + -delta_H -33.7691 kJ/mol # Calculated enthalpy of reaction ErNO3+2 # Enthalpy of formation: -226 kcal/mol - -analytic 1.0381e+001 2.4710e-002 2.5752e+003 -1.0596e+001 4.0181e+001 + -analytic 1.0381e+1 2.471e-2 2.5752e+3 -1.0596e+1 4.0181e+1 # -Range: 0-300 -1.0000 H2O + 1.0000 Er+++ = ErO+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -15.9705 - -delta_H 105.508 kJ/mol # Calculated enthalpy of reaction ErO+ +H2O + Er+3 = ErO+ + 2 H+ + -llnl_gamma 4 + log_k -15.9705 + -delta_H 105.508 kJ/mol # Calculated enthalpy of reaction ErO+ # Enthalpy of formation: -211.6 kcal/mol - -analytic 1.7556e+002 2.8655e-002 -1.3134e+004 -6.3050e+001 -2.0499e+002 + -analytic 1.7556e+2 2.8655e-2 -1.3134e+4 -6.305e+1 -2.0499e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Er+++ = ErO2- +4.0000 H+ - -llnl_gamma 4.0 - log_k -32.6008 - -delta_H 266.245 kJ/mol # Calculated enthalpy of reaction ErO2- +2 H2O + Er+3 = ErO2- + 4 H+ + -llnl_gamma 4 + log_k -32.6008 + -delta_H 266.245 kJ/mol # Calculated enthalpy of reaction ErO2- # Enthalpy of formation: -241.5 kcal/mol - -analytic 1.4987e+002 9.1241e-003 -1.8521e+004 -4.9740e+001 -2.8905e+002 + -analytic 1.4987e+2 9.1241e-3 -1.8521e+4 -4.974e+1 -2.8905e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Er+++ = ErO2H +3.0000 H+ - -llnl_gamma 3.0 - log_k -24.3178 - -delta_H 212.689 kJ/mol # Calculated enthalpy of reaction ErO2H +2 H2O + Er+3 = ErO2H + 3 H+ + -llnl_gamma 3 + log_k -24.3178 + -delta_H 212.689 kJ/mol # Calculated enthalpy of reaction ErO2H # Enthalpy of formation: -254.3 kcal/mol - -analytic 3.1493e+002 4.4381e-002 -2.1821e+004 -1.1287e+002 -3.4059e+002 + -analytic 3.1493e+2 4.4381e-2 -2.1821e+4 -1.1287e+2 -3.4059e+2 # -Range: 0-300 -1.0000 H2O + 1.0000 Er+++ = ErOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -7.7609 - -delta_H 74.5463 kJ/mol # Calculated enthalpy of reaction ErOH+2 +H2O + Er+3 = ErOH+2 + H+ + -llnl_gamma 4.5 + log_k -7.7609 + -delta_H 74.5463 kJ/mol # Calculated enthalpy of reaction ErOH+2 # Enthalpy of formation: -219 kcal/mol - -analytic 5.7142e+001 1.0986e-002 -5.6684e+003 -1.9867e+001 -8.8467e+001 + -analytic 5.7142e+1 1.0986e-2 -5.6684e+3 -1.9867e+1 -8.8467e+1 # -Range: 0-300 -1.0000 HPO4-- + 1.0000 Er+++ = ErPO4 +1.0000 H+ - -llnl_gamma 3.0 - log_k +0.3782 - -delta_H 0 # Not possible to calculate enthalpy of reaction ErPO4 +HPO4-2 + Er+3 = ErPO4 + H+ + -llnl_gamma 3 + log_k 0.3782 + -delta_H 0 # Not possible to calculate enthalpy of reaction ErPO4 # Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Er+++ = ErSO4+ - -llnl_gamma 4.0 - log_k +3.5697 - -delta_H 20.3008 kJ/mol # Calculated enthalpy of reaction ErSO4+ + +SO4-2 + Er+3 = ErSO4+ + -llnl_gamma 4 + log_k 3.5697 + -delta_H 20.3008 kJ/mol # Calculated enthalpy of reaction ErSO4+ # Enthalpy of formation: -381.048 kcal/mol - -analytic 3.0363e+002 8.5667e-002 -8.9667e+003 -1.1942e+002 -1.4001e+002 + -analytic 3.0363e+2 8.5667e-2 -8.9667e+3 -1.1942e+2 -1.4001e+2 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Eu+++ = Eu(Acetate)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -4.6912 - -delta_H -28.3257 kJ/mol # Calculated enthalpy of reaction Eu(Acetate)2+ +2 HAcetate + Eu+3 = Eu(Acetate)2+ + 2 H+ + -llnl_gamma 4 + log_k -4.6912 + -delta_H -28.3257 kJ/mol # Calculated enthalpy of reaction Eu(Acetate)2+ # Enthalpy of formation: -383.67 kcal/mol - -analytic -2.7589e+001 1.5772e-003 -1.1008e+003 7.9899e+000 5.6652e+005 + -analytic -2.7589e+1 1.5772e-3 -1.1008e+3 7.9899e+0 5.6652e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Eu+++ = Eu(Acetate)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -7.9824 - -delta_H -47.3629 kJ/mol # Calculated enthalpy of reaction Eu(Acetate)3 +3 HAcetate + Eu+3 = Eu(Acetate)3 + 3 H+ + -llnl_gamma 3 + log_k -7.9824 + -delta_H -47.3629 kJ/mol # Calculated enthalpy of reaction Eu(Acetate)3 # Enthalpy of formation: -504.32 kcal/mol - -analytic -3.7470e+001 1.9276e-003 -1.0318e+003 9.7078e+000 7.4558e+005 + -analytic -3.747e+1 1.9276e-3 -1.0318e+3 9.7078e+0 7.4558e+5 # -Range: 0-300 -2.0000 HCO3- + 1.0000 Eu+++ = Eu(CO3)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -8.3993 - -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(CO3)2- +2 HCO3- + Eu+3 = Eu(CO3)2- + 2 H+ + -llnl_gamma 4 + log_k -8.3993 + -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(CO3)2- # Enthalpy of formation: -0 kcal/mol - -3.0000 HCO3- + 1.0000 Eu+++ = Eu(CO3)3--- +3.0000 H+ - -llnl_gamma 4.0 - log_k -16.8155 - -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(CO3)3-3 + +3 HCO3- + Eu+3 = Eu(CO3)3-3 + 3 H+ + -llnl_gamma 4 + log_k -16.8155 + -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(CO3)3-3 # Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Eu+++ = Eu(HPO4)2- - -llnl_gamma 4.0 - log_k +9.6000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(HPO4)2- + +2 HPO4-2 + Eu+3 = Eu(HPO4)2- + -llnl_gamma 4 + log_k 9.6 + -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(HPO4)2- # Enthalpy of formation: -0 kcal/mol - + # Redundant with EuO+ #2.0000 H2O + 1.0000 Eu+++ = Eu(OH)2+ +2.0000 H+ -# -llnl_gamma 4.0 +# -llnl_gamma 4.0 # log_k -14.8609 # -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(OH)2+ ## Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 HCO3- + 1.0000 Eu+++ = Eu(OH)2CO3- +3.0000 H+ - -llnl_gamma 4.0 - log_k -17.8462 - -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(OH)2CO3- + +2 H2O + HCO3- + Eu+3 = Eu(OH)2CO3- + 3 H+ + -llnl_gamma 4 + log_k -17.8462 + -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(OH)2CO3- # Enthalpy of formation: -0 kcal/mol - + # Redundant with EuO2H #3.0000 H2O + 1.0000 Eu+++ = Eu(OH)3 +3.0000 H+ -# -llnl_gamma 3.0 +# -llnl_gamma 3.0 # log_k -24.1253 # -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(OH)3 ## Enthalpy of formation: -0 kcal/mol - + # Redundant with EuO2- #4.0000 H2O + 1.0000 Eu+++ = Eu(OH)4- +4.0000 H+ -# -llnl_gamma 4.0 +# -llnl_gamma 4.0 # log_k -36.5958 # -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(OH)4- ## Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Eu+++ = Eu(PO4)2--- +2.0000 H+ - -llnl_gamma 4.0 - log_k -3.9837 - -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(PO4)2-3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 Eu+++ = Eu(SO4)2- - -llnl_gamma 4.0 - log_k +5.4693 - -delta_H 25.627 kJ/mol # Calculated enthalpy of reaction Eu(SO4)2- + +2 HPO4-2 + Eu+3 = Eu(PO4)2-3 + 2 H+ + -llnl_gamma 4 + log_k -3.9837 + -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(PO4)2-3 +# Enthalpy of formation: -0 kcal/mol + +2 SO4-2 + Eu+3 = Eu(SO4)2- + -llnl_gamma 4 + log_k 5.4693 + -delta_H 25.627 kJ/mol # Calculated enthalpy of reaction Eu(SO4)2- # Enthalpy of formation: -2399 kJ/mol - -analytic 4.5178e+002 1.2285e-001 -1.3400e+004 -1.7697e+002 -2.0922e+002 -# -Range: 0-300 - -2.0000 H2O + 2.0000 Eu+++ = Eu2(OH)2++++ +2.0000 H+ - -llnl_gamma 5.5 - log_k -6.9182 - -delta_H 0 # Not possible to calculate enthalpy of reaction Eu2(OH)2+4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Eu+++ + 1.0000 Br- = EuBr++ - -llnl_gamma 4.5 - log_k +0.5572 - -delta_H 0 # Not possible to calculate enthalpy of reaction EuBr+2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 Br- + 1.0000 Eu+++ = EuBr2+ - -llnl_gamma 4.0 - log_k +0.2145 - -delta_H 0 # Not possible to calculate enthalpy of reaction EuBr2+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Eu+++ + 1.0000 BrO3- = EuBrO3++ - -llnl_gamma 4.5 - log_k +4.5823 - -delta_H 0 # Not possible to calculate enthalpy of reaction EuBrO3+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Eu+++ + 1.0000 HAcetate = EuAcetate++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -1.9571 - -delta_H -14.5603 kJ/mol # Calculated enthalpy of reaction EuAcetate+2 + -analytic 4.5178e+2 1.2285e-1 -1.34e+4 -1.7697e+2 -2.0922e+2 +# -Range: 0-300 + +2 H2O + 2 Eu+3 = Eu2(OH)2+4 + 2 H+ + -llnl_gamma 5.5 + log_k -6.9182 + -delta_H 0 # Not possible to calculate enthalpy of reaction Eu2(OH)2+4 +# Enthalpy of formation: -0 kcal/mol + +Eu+3 + Br- = EuBr+2 + -llnl_gamma 4.5 + log_k 0.5572 + -delta_H 0 # Not possible to calculate enthalpy of reaction EuBr+2 +# Enthalpy of formation: -0 kcal/mol + +2 Br- + Eu+3 = EuBr2+ + -llnl_gamma 4 + log_k 0.2145 + -delta_H 0 # Not possible to calculate enthalpy of reaction EuBr2+ +# Enthalpy of formation: -0 kcal/mol + +Eu+3 + BrO3- = EuBrO3+2 + -llnl_gamma 4.5 + log_k 4.5823 + -delta_H 0 # Not possible to calculate enthalpy of reaction EuBrO3+2 +# Enthalpy of formation: -0 kcal/mol + +Eu+3 + HAcetate = EuAcetate+2 + H+ + -llnl_gamma 4.5 + log_k -1.9571 + -delta_H -14.5603 kJ/mol # Calculated enthalpy of reaction EuAcetate+2 # Enthalpy of formation: -264.28 kcal/mol - -analytic -1.5090e+001 1.0352e-003 -6.4435e+002 4.6225e+000 3.1649e+005 + -analytic -1.509e+1 1.0352e-3 -6.4435e+2 4.6225e+0 3.1649e+5 # -Range: 0-300 -1.0000 HCO3- + 1.0000 Eu+++ = EuCO3+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.4057 - -delta_H 90.7844 kJ/mol # Calculated enthalpy of reaction EuCO3+ +HCO3- + Eu+3 = EuCO3+ + H+ + -llnl_gamma 4 + log_k -2.4057 + -delta_H 90.7844 kJ/mol # Calculated enthalpy of reaction EuCO3+ # Enthalpy of formation: -287.9 kcal/mol - -analytic 2.3548e+002 5.3819e-002 -6.9908e+003 -9.3137e+001 -1.0915e+002 + -analytic 2.3548e+2 5.3819e-2 -6.9908e+3 -9.3137e+1 -1.0915e+2 # -Range: 0-300 -1.0000 Eu++ + 1.0000 Cl- = EuCl+ - -llnl_gamma 4.0 - log_k +0.3819 - -delta_H 8.50607 kJ/mol # Calculated enthalpy of reaction EuCl+ +Eu+2 + Cl- = EuCl+ + -llnl_gamma 4 + log_k 0.3819 + -delta_H 8.50607 kJ/mol # Calculated enthalpy of reaction EuCl+ # Enthalpy of formation: -164 kcal/mol - -analytic 6.8695e+001 3.7619e-002 -1.0809e+003 -3.0665e+001 -1.6887e+001 + -analytic 6.8695e+1 3.7619e-2 -1.0809e+3 -3.0665e+1 -1.6887e+1 # -Range: 0-300 -1.0000 Eu+++ + 1.0000 Cl- = EuCl++ - -llnl_gamma 4.5 - log_k +0.3086 - -delta_H 13.9453 kJ/mol # Calculated enthalpy of reaction EuCl+2 +Eu+3 + Cl- = EuCl+2 + -llnl_gamma 4.5 + log_k 0.3086 + -delta_H 13.9453 kJ/mol # Calculated enthalpy of reaction EuCl+2 # Enthalpy of formation: -181.3 kcal/mol - -analytic 7.9275e+001 3.7878e-002 -1.7895e+003 -3.4041e+001 -2.7947e+001 + -analytic 7.9275e+1 3.7878e-2 -1.7895e+3 -3.4041e+1 -2.7947e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Eu++ = EuCl2 - -llnl_gamma 3.0 - log_k +1.2769 - -delta_H 5.71534 kJ/mol # Calculated enthalpy of reaction EuCl2 +2 Cl- + Eu+2 = EuCl2 + -llnl_gamma 3 + log_k 1.2769 + -delta_H 5.71534 kJ/mol # Calculated enthalpy of reaction EuCl2 # Enthalpy of formation: -204.6 kcal/mol - -analytic 1.0474e+002 6.7132e-002 -7.0448e+002 -4.8928e+001 -1.1024e+001 + -analytic 1.0474e+2 6.7132e-2 -7.0448e+2 -4.8928e+1 -1.1024e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Eu+++ = EuCl2+ - -llnl_gamma 4.0 - log_k -0.0425 - -delta_H 18.6857 kJ/mol # Calculated enthalpy of reaction EuCl2+ +2 Cl- + Eu+3 = EuCl2+ + -llnl_gamma 4 + log_k -0.0425 + -delta_H 18.6857 kJ/mol # Calculated enthalpy of reaction EuCl2+ # Enthalpy of formation: -220.1 kcal/mol - -analytic 2.1758e+002 8.0336e-002 -5.5499e+003 -9.0087e+001 -8.6665e+001 + -analytic 2.1758e+2 8.0336e-2 -5.5499e+3 -9.0087e+1 -8.6665e+1 # -Range: 0-300 -3.0000 Cl- + 1.0000 Eu+++ = EuCl3 - -llnl_gamma 3.0 - log_k -0.4669 - -delta_H 11.2926 kJ/mol # Calculated enthalpy of reaction EuCl3 +3 Cl- + Eu+3 = EuCl3 + -llnl_gamma 3 + log_k -0.4669 + -delta_H 11.2926 kJ/mol # Calculated enthalpy of reaction EuCl3 # Enthalpy of formation: -261.8 kcal/mol - -analytic 4.2075e+002 1.2890e-001 -1.1288e+004 -1.7043e+002 -1.7627e+002 + -analytic 4.2075e+2 1.289e-1 -1.1288e+4 -1.7043e+2 -1.7627e+2 # -Range: 0-300 -3.0000 Cl- + 1.0000 Eu++ = EuCl3- - -llnl_gamma 4.0 - log_k +2.0253 - -delta_H -3.76978 kJ/mol # Calculated enthalpy of reaction EuCl3- +3 Cl- + Eu+2 = EuCl3- + -llnl_gamma 4 + log_k 2.0253 + -delta_H -3.76978 kJ/mol # Calculated enthalpy of reaction EuCl3- # Enthalpy of formation: -246.8 kcal/mol - -analytic 1.1546e+001 6.4683e-002 3.7299e+003 -1.6672e+001 5.8196e+001 + -analytic 1.1546e+1 6.4683e-2 3.7299e+3 -1.6672e+1 5.8196e+1 # -Range: 0-300 -4.0000 Cl- + 1.0000 Eu+++ = EuCl4- - -llnl_gamma 4.0 - log_k -0.8913 - -delta_H -9.90771 kJ/mol # Calculated enthalpy of reaction EuCl4- +4 Cl- + Eu+3 = EuCl4- + -llnl_gamma 4 + log_k -0.8913 + -delta_H -9.90771 kJ/mol # Calculated enthalpy of reaction EuCl4- # Enthalpy of formation: -306.8 kcal/mol - -analytic 4.8122e+002 1.3081e-001 -1.2950e+004 -1.9302e+002 -2.0222e+002 + -analytic 4.8122e+2 1.3081e-1 -1.295e+4 -1.9302e+2 -2.0222e+2 # -Range: 0-300 -4.0000 Cl- + 1.0000 Eu++ = EuCl4-- - -llnl_gamma 4.0 - log_k +2.8470 - -delta_H -19.9493 kJ/mol # Calculated enthalpy of reaction EuCl4-2 +4 Cl- + Eu+2 = EuCl4-2 + -llnl_gamma 4 + log_k 2.847 + -delta_H -19.9493 kJ/mol # Calculated enthalpy of reaction EuCl4-2 # Enthalpy of formation: -290.6 kcal/mol - -analytic -1.2842e+002 5.0789e-002 9.8815e+003 3.3565e+001 1.5423e+002 + -analytic -1.2842e+2 5.0789e-2 9.8815e+3 3.3565e+1 1.5423e+2 # -Range: 0-300 -1.0000 F- + 1.0000 Eu++ = EuF+ - -llnl_gamma 4.0 - log_k -1.3487 - -delta_H 16.9452 kJ/mol # Calculated enthalpy of reaction EuF+ +F- + Eu+2 = EuF+ + -llnl_gamma 4 + log_k -1.3487 + -delta_H 16.9452 kJ/mol # Calculated enthalpy of reaction EuF+ # Enthalpy of formation: -202.2 kcal/mol - -analytic 6.2412e+001 3.5839e-002 -1.3660e+003 -2.8223e+001 -2.1333e+001 + -analytic 6.2412e+1 3.5839e-2 -1.366e+3 -2.8223e+1 -2.1333e+1 # -Range: 0-300 -1.0000 F- + 1.0000 Eu+++ = EuF++ - -llnl_gamma 4.5 - log_k +4.4420 - -delta_H 23.6396 kJ/mol # Calculated enthalpy of reaction EuF+2 +F- + Eu+3 = EuF+2 + -llnl_gamma 4.5 + log_k 4.442 + -delta_H 23.6396 kJ/mol # Calculated enthalpy of reaction EuF+2 # Enthalpy of formation: -219.2 kcal/mol - -analytic 1.0063e+002 4.1834e-002 -2.7355e+003 -4.0195e+001 -4.2714e+001 + -analytic 1.0063e+2 4.1834e-2 -2.7355e+3 -4.0195e+1 -4.2714e+1 # -Range: 0-300 -2.0000 F- + 1.0000 Eu++ = EuF2 - -llnl_gamma 3.0 - log_k -2.0378 - -delta_H 17.5728 kJ/mol # Calculated enthalpy of reaction EuF2 +2 F- + Eu+2 = EuF2 + -llnl_gamma 3 + log_k -2.0378 + -delta_H 17.5728 kJ/mol # Calculated enthalpy of reaction EuF2 # Enthalpy of formation: -282.2 kcal/mol - -analytic 1.2065e+002 7.1705e-002 -1.7998e+003 -5.5760e+001 -2.8121e+001 + -analytic 1.2065e+2 7.1705e-2 -1.7998e+3 -5.576e+1 -2.8121e+1 # -Range: 0-300 -2.0000 F- + 1.0000 Eu+++ = EuF2+ - -llnl_gamma 4.0 - log_k +7.7112 - -delta_H 13.8072 kJ/mol # Calculated enthalpy of reaction EuF2+ +2 F- + Eu+3 = EuF2+ + -llnl_gamma 4 + log_k 7.7112 + -delta_H 13.8072 kJ/mol # Calculated enthalpy of reaction EuF2+ # Enthalpy of formation: -301.7 kcal/mol - -analytic 2.4099e+002 8.4714e-002 -5.7702e+003 -9.6640e+001 -9.0109e+001 + -analytic 2.4099e+2 8.4714e-2 -5.7702e+3 -9.664e+1 -9.0109e+1 # -Range: 0-300 -3.0000 F- + 1.0000 Eu+++ = EuF3 - -llnl_gamma 3.0 - log_k +10.1741 - -delta_H -8.9956 kJ/mol # Calculated enthalpy of reaction EuF3 +3 F- + Eu+3 = EuF3 + -llnl_gamma 3 + log_k 10.1741 + -delta_H -8.9956 kJ/mol # Calculated enthalpy of reaction EuF3 # Enthalpy of formation: -387.3 kcal/mol - -analytic 4.5022e+002 1.3560e-001 -1.0801e+004 -1.7951e+002 -1.6867e+002 + -analytic 4.5022e+2 1.356e-1 -1.0801e+4 -1.7951e+2 -1.6867e+2 # -Range: 0-300 -3.0000 F- + 1.0000 Eu++ = EuF3- - -llnl_gamma 4.0 - log_k -2.5069 - -delta_H 3.5564 kJ/mol # Calculated enthalpy of reaction EuF3- +3 F- + Eu+2 = EuF3- + -llnl_gamma 4 + log_k -2.5069 + -delta_H 3.5564 kJ/mol # Calculated enthalpy of reaction EuF3- # Enthalpy of formation: -365.7 kcal/mol - -analytic -2.8441e+001 5.5972e-002 4.4573e+003 -2.2782e+000 6.9558e+001 + -analytic -2.8441e+1 5.5972e-2 4.4573e+3 -2.2782e+0 6.9558e+1 # -Range: 0-300 -4.0000 F- + 1.0000 Eu+++ = EuF4- - -llnl_gamma 4.0 - log_k +12.1239 - -delta_H -52.3 kJ/mol # Calculated enthalpy of reaction EuF4- +4 F- + Eu+3 = EuF4- + -llnl_gamma 4 + log_k 12.1239 + -delta_H -52.3 kJ/mol # Calculated enthalpy of reaction EuF4- # Enthalpy of formation: -477.8 kcal/mol - -analytic 5.0246e+002 1.3629e-001 -1.1092e+004 -1.9952e+002 -1.7323e+002 + -analytic 5.0246e+2 1.3629e-1 -1.1092e+4 -1.9952e+2 -1.7323e+2 # -Range: 0-300 -4.0000 F- + 1.0000 Eu++ = EuF4-- - -llnl_gamma 4.0 - log_k -2.8294 - -delta_H -37.656 kJ/mol # Calculated enthalpy of reaction EuF4-2 +4 F- + Eu+2 = EuF4-2 + -llnl_gamma 4 + log_k -2.8294 + -delta_H -37.656 kJ/mol # Calculated enthalpy of reaction EuF4-2 # Enthalpy of formation: -455.7 kcal/mol - -analytic -1.8730e+002 3.9237e-002 1.2303e+004 5.3179e+001 1.9204e+002 + -analytic -1.873e+2 3.9237e-2 1.2303e+4 5.3179e+1 1.9204e+2 # -Range: 0-300 -1.0000 HPO4-- + 1.0000 H+ + 1.0000 Eu+++ = EuH2PO4++ - -llnl_gamma 4.5 - log_k +9.4484 - -delta_H -17.0916 kJ/mol # Calculated enthalpy of reaction EuH2PO4+2 +HPO4-2 + H+ + Eu+3 = EuH2PO4+2 + -llnl_gamma 4.5 + log_k 9.4484 + -delta_H -17.0916 kJ/mol # Calculated enthalpy of reaction EuH2PO4+2 # Enthalpy of formation: -457.6 kcal/mol - -analytic 1.0873e+002 6.3416e-002 2.7202e+002 -4.8113e+001 4.2122e+000 + -analytic 1.0873e+2 6.3416e-2 2.7202e+2 -4.8113e+1 4.2122e+0 # -Range: 0-300 -1.0000 HCO3- + 1.0000 Eu+++ = EuHCO3++ - -llnl_gamma 4.5 - log_k +1.6258 - -delta_H 8.77803 kJ/mol # Calculated enthalpy of reaction EuHCO3+2 +HCO3- + Eu+3 = EuHCO3+2 + -llnl_gamma 4.5 + log_k 1.6258 + -delta_H 8.77803 kJ/mol # Calculated enthalpy of reaction EuHCO3+2 # Enthalpy of formation: -307.5 kcal/mol - -analytic 3.9266e+001 3.1608e-002 -9.8731e+001 -1.8875e+001 -1.5524e+000 + -analytic 3.9266e+1 3.1608e-2 -9.8731e+1 -1.8875e+1 -1.5524e+0 # -Range: 0-300 -1.0000 HPO4-- + 1.0000 Eu+++ = EuHPO4+ - -llnl_gamma 4.0 - log_k +5.7000 - -delta_H 0 # Not possible to calculate enthalpy of reaction EuHPO4+ +HPO4-2 + Eu+3 = EuHPO4+ + -llnl_gamma 4 + log_k 5.7 + -delta_H 0 # Not possible to calculate enthalpy of reaction EuHPO4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 IO3- + 1.0000 Eu+++ = EuIO3++ - -llnl_gamma 4.5 - log_k +2.1560 - -delta_H 11.8314 kJ/mol # Calculated enthalpy of reaction EuIO3+2 + +IO3- + Eu+3 = EuIO3+2 + -llnl_gamma 4.5 + log_k 2.156 + -delta_H 11.8314 kJ/mol # Calculated enthalpy of reaction EuIO3+2 # Enthalpy of formation: -814.927 kJ/mol - -analytic 1.4970e+002 4.7369e-002 -4.1559e+003 -5.9687e+001 -6.4893e+001 + -analytic 1.497e+2 4.7369e-2 -4.1559e+3 -5.9687e+1 -6.4893e+1 # -Range: 0-300 -1.0000 NO3- + 1.0000 Eu+++ = EuNO3++ - -llnl_gamma 4.5 - log_k +0.8745 - -delta_H -32.0955 kJ/mol # Calculated enthalpy of reaction EuNO3+2 +NO3- + Eu+3 = EuNO3+2 + -llnl_gamma 4.5 + log_k 0.8745 + -delta_H -32.0955 kJ/mol # Calculated enthalpy of reaction EuNO3+2 # Enthalpy of formation: -201.8 kcal/mol - -analytic 1.7398e+001 2.5467e-002 2.2683e+003 -1.2810e+001 3.5389e+001 + -analytic 1.7398e+1 2.5467e-2 2.2683e+3 -1.281e+1 3.5389e+1 # -Range: 0-300 -1.0000 H2O + 1.0000 Eu+++ = EuO+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -16.337 - -delta_H 110.947 kJ/mol # Calculated enthalpy of reaction EuO+ +H2O + Eu+3 = EuO+ + 2 H+ + -llnl_gamma 4 + log_k -16.337 + -delta_H 110.947 kJ/mol # Calculated enthalpy of reaction EuO+ # Enthalpy of formation: -186.5 kcal/mol - -analytic 1.8876e+002 3.0194e-002 -1.3836e+004 -6.7770e+001 -2.1595e+002 + -analytic 1.8876e+2 3.0194e-2 -1.3836e+4 -6.777e+1 -2.1595e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Eu+++ = EuO2- +4.0000 H+ - -llnl_gamma 4.0 - log_k -34.5066 - -delta_H 281.307 kJ/mol # Calculated enthalpy of reaction EuO2- +2 H2O + Eu+3 = EuO2- + 4 H+ + -llnl_gamma 4 + log_k -34.5066 + -delta_H 281.307 kJ/mol # Calculated enthalpy of reaction EuO2- # Enthalpy of formation: -214.1 kcal/mol - -analytic 7.5244e+001 3.7089e-004 -1.3587e+004 -2.3859e+001 -4.6713e+005 + -analytic 7.5244e+1 3.7089e-4 -1.3587e+4 -2.3859e+1 -4.6713e+5 # -Range: 0-300 -2.0000 H2O + 1.0000 Eu+++ = EuO2H +3.0000 H+ - -llnl_gamma 3.0 - log_k -25.4173 - -delta_H 222.313 kJ/mol # Calculated enthalpy of reaction EuO2H +2 H2O + Eu+3 = EuO2H + 3 H+ + -llnl_gamma 3 + log_k -25.4173 + -delta_H 222.313 kJ/mol # Calculated enthalpy of reaction EuO2H # Enthalpy of formation: -228.2 kcal/mol - -analytic 3.6754e+002 5.3868e-002 -2.4034e+004 -1.3272e+002 -3.7514e+002 + -analytic 3.6754e+2 5.3868e-2 -2.4034e+4 -1.3272e+2 -3.7514e+2 # -Range: 0-300 -2.0000 HCO3- + 1.0000 H2O + 1.0000 Eu+++ = EuOH(CO3)2-- +3.0000 H+ - -llnl_gamma 4.0 - log_k -15.176 - -delta_H 0 # Not possible to calculate enthalpy of reaction EuOH(CO3)2-2 +2 HCO3- + H2O + Eu+3 = EuOH(CO3)2-2 + 3 H+ + -llnl_gamma 4 + log_k -15.176 + -delta_H 0 # Not possible to calculate enthalpy of reaction EuOH(CO3)2-2 # Enthalpy of formation: -0 kcal/mol - -1.0000 H2O + 1.0000 Eu+++ = EuOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -7.9075 - -delta_H 78.0065 kJ/mol # Calculated enthalpy of reaction EuOH+2 + +H2O + Eu+3 = EuOH+2 + H+ + -llnl_gamma 4.5 + log_k -7.9075 + -delta_H 78.0065 kJ/mol # Calculated enthalpy of reaction EuOH+2 # Enthalpy of formation: -194.373 kcal/mol - -analytic 6.7691e+001 1.2066e-002 -6.1871e+003 -2.3617e+001 -9.6563e+001 + -analytic 6.7691e+1 1.2066e-2 -6.1871e+3 -2.3617e+1 -9.6563e+1 # -Range: 0-300 -1.0000 HCO3- + 1.0000 H2O + 1.0000 Eu+++ = EuOHCO3 +2.0000 H+ - -llnl_gamma 3.0 - log_k -8.4941 - -delta_H 0 # Not possible to calculate enthalpy of reaction EuOHCO3 +HCO3- + H2O + Eu+3 = EuOHCO3 + 2 H+ + -llnl_gamma 3 + log_k -8.4941 + -delta_H 0 # Not possible to calculate enthalpy of reaction EuOHCO3 # Enthalpy of formation: -0 kcal/mol - -1.0000 HPO4-- + 1.0000 Eu+++ = EuPO4 +1.0000 H+ - -llnl_gamma 3.0 - log_k -0.1218 - -delta_H 0 # Not possible to calculate enthalpy of reaction EuPO4 + +HPO4-2 + Eu+3 = EuPO4 + H+ + -llnl_gamma 3 + log_k -0.1218 + -delta_H 0 # Not possible to calculate enthalpy of reaction EuPO4 # Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Eu+++ = EuSO4+ - -llnl_gamma 4.0 - log_k +3.6430 - -delta_H 62.3416 kJ/mol # Calculated enthalpy of reaction EuSO4+ + +SO4-2 + Eu+3 = EuSO4+ + -llnl_gamma 4 + log_k 3.643 + -delta_H 62.3416 kJ/mol # Calculated enthalpy of reaction EuSO4+ # Enthalpy of formation: -347.2 kcal/mol - -analytic 3.0587e+002 8.6208e-002 -9.0387e+003 -1.2026e+002 -1.4113e+002 + -analytic 3.0587e+2 8.6208e-2 -9.0387e+3 -1.2026e+2 -1.4113e+2 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Fe++ = Fe(Acetate)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -7.0295 - -delta_H -20.2924 kJ/mol # Calculated enthalpy of reaction Fe(Acetate)2 +2 HAcetate + Fe+2 = Fe(Acetate)2 + 2 H+ + -llnl_gamma 3 + log_k -7.0295 + -delta_H -20.2924 kJ/mol # Calculated enthalpy of reaction Fe(Acetate)2 # Enthalpy of formation: -259.1 kcal/mol - -analytic -2.9862e+001 1.3901e-003 -1.6908e+003 8.6283e+000 6.0125e+005 -# -Range: 0-300 - -2.0000 H2O + 1.0000 Fe++ = Fe(OH)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -20.6 - -delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 Fe+++ = Fe(OH)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -5.67 - -delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)2+ -# Enthalpy of formation: -0 kcal/mol - -3.0000 H2O + 1.0000 Fe+++ = Fe(OH)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -12 - -delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)3 -# Enthalpy of formation: -0 kcal/mol - -3.0000 H2O + 1.0000 Fe++ = Fe(OH)3- +3.0000 H+ - -llnl_gamma 4.0 - log_k -31 - -delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)3- -# Enthalpy of formation: -0 kcal/mol - -4.0000 H2O + 1.0000 Fe+++ = Fe(OH)4- +4.0000 H+ - -llnl_gamma 4.0 - log_k -21.6 - -delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)4- -# Enthalpy of formation: -0 kcal/mol - -4.0000 H2O + 1.0000 Fe++ = Fe(OH)4-- +4.0000 H+ - -llnl_gamma 4.0 - log_k -46 - -delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)4-2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 Fe+++ = Fe(SO4)2- - -llnl_gamma 4.0 - log_k +3.2137 - -delta_H 0 # Not possible to calculate enthalpy of reaction Fe(SO4)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 2.0000 Fe+++ = Fe2(OH)2++++ +2.0000 H+ - -llnl_gamma 5.5 - log_k -2.95 - -delta_H 0 # Not possible to calculate enthalpy of reaction Fe2(OH)2+4 -# Enthalpy of formation: -0 kcal/mol - -4.0000 H2O + 3.0000 Fe+++ = Fe3(OH)4+5 +4.0000 H+ - -llnl_gamma 6.0 - log_k -6.3 - -delta_H 0 # Not possible to calculate enthalpy of reaction Fe3(OH)4+5 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Fe++ + 1.0000 HAcetate = FeAcetate+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -3.4671 - -delta_H -3.80744 kJ/mol # Calculated enthalpy of reaction FeAcetate+ + -analytic -2.9862e+1 1.3901e-3 -1.6908e+3 8.6283e+0 6.0125e+5 +# -Range: 0-300 + +2 H2O + Fe+2 = Fe(OH)2 + 2 H+ + -llnl_gamma 3 + log_k -20.6 + -delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)2 +# Enthalpy of formation: -0 kcal/mol + +2 H2O + Fe+3 = Fe(OH)2+ + 2 H+ + -llnl_gamma 4 + log_k -5.67 + -delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)2+ +# Enthalpy of formation: -0 kcal/mol + +3 H2O + Fe+3 = Fe(OH)3 + 3 H+ + -llnl_gamma 3 + log_k -12 + -delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)3 +# Enthalpy of formation: -0 kcal/mol + +3 H2O + Fe+2 = Fe(OH)3- + 3 H+ + -llnl_gamma 4 + log_k -31 + -delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)3- +# Enthalpy of formation: -0 kcal/mol + +4 H2O + Fe+3 = Fe(OH)4- + 4 H+ + -llnl_gamma 4 + log_k -21.6 + -delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)4- +# Enthalpy of formation: -0 kcal/mol + +4 H2O + Fe+2 = Fe(OH)4-2 + 4 H+ + -llnl_gamma 4 + log_k -46 + -delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)4-2 +# Enthalpy of formation: -0 kcal/mol + +2 SO4-2 + Fe+3 = Fe(SO4)2- + -llnl_gamma 4 + log_k 3.2137 + -delta_H 0 # Not possible to calculate enthalpy of reaction Fe(SO4)2- +# Enthalpy of formation: -0 kcal/mol + +2 H2O + 2 Fe+3 = Fe2(OH)2+4 + 2 H+ + -llnl_gamma 5.5 + log_k -2.95 + -delta_H 0 # Not possible to calculate enthalpy of reaction Fe2(OH)2+4 +# Enthalpy of formation: -0 kcal/mol + +4 H2O + 3 Fe+3 = Fe3(OH)4+5 + 4 H+ + -llnl_gamma 6 + log_k -6.3 + -delta_H 0 # Not possible to calculate enthalpy of reaction Fe3(OH)4+5 +# Enthalpy of formation: -0 kcal/mol + +Fe+2 + HAcetate = FeAcetate+ + H+ + -llnl_gamma 4 + log_k -3.4671 + -delta_H -3.80744 kJ/mol # Calculated enthalpy of reaction FeAcetate+ # Enthalpy of formation: -139.06 kcal/mol - -analytic -1.3781e+001 9.6253e-004 -7.5310e+002 4.0135e+000 2.3416e+005 + -analytic -1.3781e+1 9.6253e-4 -7.531e+2 4.0135e+0 2.3416e+5 # -Range: 0-300 -1.0000 HCO3- + 1.0000 Fe++ = FeCO3 +1.0000 H+ - -llnl_gamma 3.0 - log_k -5.5988 - -delta_H 0 # Not possible to calculate enthalpy of reaction FeCO3 +HCO3- + Fe+2 = FeCO3 + H+ + -llnl_gamma 3 + log_k -5.5988 + -delta_H 0 # Not possible to calculate enthalpy of reaction FeCO3 # Enthalpy of formation: -0 kcal/mol - -1.0000 HCO3- + 1.0000 Fe+++ = FeCO3+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -0.6088 - -delta_H -50.208 kJ/mol # Calculated enthalpy of reaction FeCO3+ + +HCO3- + Fe+3 = FeCO3+ + H+ + -llnl_gamma 4 + log_k -0.6088 + -delta_H -50.208 kJ/mol # Calculated enthalpy of reaction FeCO3+ # Enthalpy of formation: -188.748 kcal/mol - -analytic 1.7100e+002 8.0413e-002 -4.3217e+002 -7.8449e+001 -6.7948e+000 + -analytic 1.71e+2 8.0413e-2 -4.3217e+2 -7.8449e+1 -6.7948e+0 # -Range: 0-300 -1.0000 Fe++ + 1.0000 Cl- = FeCl+ - -llnl_gamma 4.0 - log_k -0.1605 - -delta_H 3.02503 kJ/mol # Calculated enthalpy of reaction FeCl+ +Fe+2 + Cl- = FeCl+ + -llnl_gamma 4 + log_k -0.1605 + -delta_H 3.02503 kJ/mol # Calculated enthalpy of reaction FeCl+ # Enthalpy of formation: -61.26 kcal/mol - -analytic 8.2435e+001 3.7755e-002 -1.4765e+003 -3.5918e+001 -2.3064e+001 + -analytic 8.2435e+1 3.7755e-2 -1.4765e+3 -3.5918e+1 -2.3064e+1 # -Range: 0-300 -1.0000 Fe+++ + 1.0000 Cl- = FeCl++ - -llnl_gamma 4.5 - log_k -0.8108 - -delta_H 36.6421 kJ/mol # Calculated enthalpy of reaction FeCl+2 +Fe+3 + Cl- = FeCl+2 + -llnl_gamma 4.5 + log_k -0.8108 + -delta_H 36.6421 kJ/mol # Calculated enthalpy of reaction FeCl+2 # Enthalpy of formation: -180.018 kJ/mol - -analytic 1.6186e+002 5.9436e-002 -5.1913e+003 -6.5852e+001 -8.1053e+001 + -analytic 1.6186e+2 5.9436e-2 -5.1913e+3 -6.5852e+1 -8.1053e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Fe++ = FeCl2 - -llnl_gamma 3.0 - log_k -2.4541 - -delta_H 6.46846 kJ/mol # Calculated enthalpy of reaction FeCl2 +2 Cl- + Fe+2 = FeCl2 + -llnl_gamma 3 + log_k -2.4541 + -delta_H 6.46846 kJ/mol # Calculated enthalpy of reaction FeCl2 # Enthalpy of formation: -100.37 kcal/mol - -analytic 1.9171e+002 7.8070e-002 -4.1048e+003 -8.2292e+001 -6.4108e+001 + -analytic 1.9171e+2 7.807e-2 -4.1048e+3 -8.2292e+1 -6.4108e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Fe+++ = FeCl2+ - -llnl_gamma 4.0 - log_k +2.1300 - -delta_H 0 # Not possible to calculate enthalpy of reaction FeCl2+ +2 Cl- + Fe+3 = FeCl2+ + -llnl_gamma 4 + log_k 2.13 + -delta_H 0 # Not possible to calculate enthalpy of reaction FeCl2+ # Enthalpy of formation: -0 kcal/mol - -4.0000 Cl- + 1.0000 Fe+++ = FeCl4- - -llnl_gamma 4.0 - log_k -0.79 - -delta_H 0 # Not possible to calculate enthalpy of reaction FeCl4- + +4 Cl- + Fe+3 = FeCl4- + -llnl_gamma 4 + log_k -0.79 + -delta_H 0 # Not possible to calculate enthalpy of reaction FeCl4- # Enthalpy of formation: -0 kcal/mol - -4.0000 Cl- + 1.0000 Fe++ = FeCl4-- - -llnl_gamma 4.0 - log_k -1.9 - -delta_H 0 # Not possible to calculate enthalpy of reaction FeCl4-2 + +4 Cl- + Fe+2 = FeCl4-2 + -llnl_gamma 4 + log_k -1.9 + -delta_H 0 # Not possible to calculate enthalpy of reaction FeCl4-2 # Enthalpy of formation: -0 kcal/mol - -analytic -2.4108e+002 -6.0086e-003 9.7979e+003 8.4084e+001 1.5296e+002 + -analytic -2.4108e+2 -6.0086e-3 9.7979e+3 8.4084e+1 1.5296e+2 # -Range: 0-300 -1.0000 Fe++ + 1.0000 F- = FeF+ - -llnl_gamma 4.0 - log_k +1.3600 - -delta_H 0 # Not possible to calculate enthalpy of reaction FeF+ +Fe+2 + F- = FeF+ + -llnl_gamma 4 + log_k 1.36 + -delta_H 0 # Not possible to calculate enthalpy of reaction FeF+ # Enthalpy of formation: -0 kcal/mol - -1.0000 Fe+++ + 1.0000 F- = FeF++ - -llnl_gamma 4.5 - log_k +4.1365 - -delta_H 14.327 kJ/mol # Calculated enthalpy of reaction FeF+2 + +Fe+3 + F- = FeF+2 + -llnl_gamma 4.5 + log_k 4.1365 + -delta_H 14.327 kJ/mol # Calculated enthalpy of reaction FeF+2 # Enthalpy of formation: -370.601 kJ/mol - -analytic 1.7546e+002 6.3754e-002 -4.3166e+003 -7.1052e+001 -6.7408e+001 + -analytic 1.7546e+2 6.3754e-2 -4.3166e+3 -7.1052e+1 -6.7408e+1 # -Range: 0-300 -2.0000 F- + 1.0000 Fe+++ = FeF2+ - -llnl_gamma 4.0 - log_k +8.3498 - -delta_H 23.9776 kJ/mol # Calculated enthalpy of reaction FeF2+ +2 F- + Fe+3 = FeF2+ + -llnl_gamma 4 + log_k 8.3498 + -delta_H 23.9776 kJ/mol # Calculated enthalpy of reaction FeF2+ # Enthalpy of formation: -696.298 kJ/mol - -analytic 2.9080e+002 1.0393e-001 -7.2118e+003 -1.1688e+002 -1.1262e+002 -# -Range: 0-300 - -1.0000 HPO4-- + 1.0000 H+ + 1.0000 Fe++ = FeH2PO4+ - -llnl_gamma 4.0 - log_k +2.7000 - -delta_H 0 # Not possible to calculate enthalpy of reaction FeH2PO4+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 HPO4-- + 1.0000 H+ + 1.0000 Fe+++ = FeH2PO4++ - -llnl_gamma 4.5 - log_k +4.1700 - -delta_H 0 # Not possible to calculate enthalpy of reaction FeH2PO4+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 HCO3- + 1.0000 Fe++ = FeHCO3+ - -llnl_gamma 4.0 - log_k +2.7200 - -delta_H 0 # Not possible to calculate enthalpy of reaction FeHCO3+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 HPO4-- + 1.0000 Fe++ = FeHPO4 - -llnl_gamma 3.0 - log_k +3.6000 - -delta_H 0 # Not possible to calculate enthalpy of reaction FeHPO4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 HPO4-- + 1.0000 Fe+++ = FeHPO4+ - -llnl_gamma 4.0 - log_k +10.1800 - -delta_H 0 # Not possible to calculate enthalpy of reaction FeHPO4+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 NO2- + 1.0000 Fe+++ = FeNO2++ - -llnl_gamma 4.5 - log_k +3.1500 - -delta_H 0 # Not possible to calculate enthalpy of reaction FeNO2+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 NO3- + 1.0000 Fe+++ = FeNO3++ - -llnl_gamma 4.5 - log_k +1.0000 - -delta_H 0 # Not possible to calculate enthalpy of reaction FeNO3+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 H2O + 1.0000 Fe++ = FeOH+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -9.5 - -delta_H 0 # Not possible to calculate enthalpy of reaction FeOH+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 H2O + 1.0000 Fe+++ = FeOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -2.19 - -delta_H 0 # Not possible to calculate enthalpy of reaction FeOH+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 HPO4-- + 1.0000 Fe++ = FePO4- +1.0000 H+ - -llnl_gamma 4.0 - log_k -4.3918 - -delta_H 0 # Not possible to calculate enthalpy of reaction FePO4- -# Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Fe++ = FeSO4 - -llnl_gamma 3.0 - log_k +2.2000 - -delta_H 0 # Not possible to calculate enthalpy of reaction FeSO4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Fe+++ = FeSO4+ - -llnl_gamma 4.0 - log_k +1.9276 - -delta_H 27.181 kJ/mol # Calculated enthalpy of reaction FeSO4+ + -analytic 2.908e+2 1.0393e-1 -7.2118e+3 -1.1688e+2 -1.1262e+2 +# -Range: 0-300 + +HPO4-2 + H+ + Fe+2 = FeH2PO4+ + -llnl_gamma 4 + log_k 2.7 + -delta_H 0 # Not possible to calculate enthalpy of reaction FeH2PO4+ +# Enthalpy of formation: -0 kcal/mol + +HPO4-2 + H+ + Fe+3 = FeH2PO4+2 + -llnl_gamma 4.5 + log_k 4.17 + -delta_H 0 # Not possible to calculate enthalpy of reaction FeH2PO4+2 +# Enthalpy of formation: -0 kcal/mol + +HCO3- + Fe+2 = FeHCO3+ + -llnl_gamma 4 + log_k 2.72 + -delta_H 0 # Not possible to calculate enthalpy of reaction FeHCO3+ +# Enthalpy of formation: -0 kcal/mol + +HPO4-2 + Fe+2 = FeHPO4 + -llnl_gamma 3 + log_k 3.6 + -delta_H 0 # Not possible to calculate enthalpy of reaction FeHPO4 +# Enthalpy of formation: -0 kcal/mol + +HPO4-2 + Fe+3 = FeHPO4+ + -llnl_gamma 4 + log_k 10.18 + -delta_H 0 # Not possible to calculate enthalpy of reaction FeHPO4+ +# Enthalpy of formation: -0 kcal/mol + +NO2- + Fe+3 = FeNO2+2 + -llnl_gamma 4.5 + log_k 3.15 + -delta_H 0 # Not possible to calculate enthalpy of reaction FeNO2+2 +# Enthalpy of formation: -0 kcal/mol + +NO3- + Fe+3 = FeNO3+2 + -llnl_gamma 4.5 + log_k 1 + -delta_H 0 # Not possible to calculate enthalpy of reaction FeNO3+2 +# Enthalpy of formation: -0 kcal/mol + +H2O + Fe+2 = FeOH+ + H+ + -llnl_gamma 4 + log_k -9.5 + -delta_H 0 # Not possible to calculate enthalpy of reaction FeOH+ +# Enthalpy of formation: -0 kcal/mol + +H2O + Fe+3 = FeOH+2 + H+ + -llnl_gamma 4.5 + log_k -2.19 + -delta_H 0 # Not possible to calculate enthalpy of reaction FeOH+2 +# Enthalpy of formation: -0 kcal/mol + +HPO4-2 + Fe+2 = FePO4- + H+ + -llnl_gamma 4 + log_k -4.3918 + -delta_H 0 # Not possible to calculate enthalpy of reaction FePO4- +# Enthalpy of formation: -0 kcal/mol + +SO4-2 + Fe+2 = FeSO4 + -llnl_gamma 3 + log_k 2.2 + -delta_H 0 # Not possible to calculate enthalpy of reaction FeSO4 +# Enthalpy of formation: -0 kcal/mol + +SO4-2 + Fe+3 = FeSO4+ + -llnl_gamma 4 + log_k 1.9276 + -delta_H 27.181 kJ/mol # Calculated enthalpy of reaction FeSO4+ # Enthalpy of formation: -932.001 kJ/mol - -analytic 2.5178e+002 1.0080e-001 -6.0977e+003 -1.0483e+002 -9.5223e+001 + -analytic 2.5178e+2 1.008e-1 -6.0977e+3 -1.0483e+2 -9.5223e+1 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Gd+++ = Gd(Acetate)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -4.9625 - -delta_H -22.3426 kJ/mol # Calculated enthalpy of reaction Gd(Acetate)2+ +2 HAcetate + Gd+3 = Gd(Acetate)2+ + 2 H+ + -llnl_gamma 4 + log_k -4.9625 + -delta_H -22.3426 kJ/mol # Calculated enthalpy of reaction Gd(Acetate)2+ # Enthalpy of formation: -401.74 kcal/mol - -analytic -4.3124e+001 1.2995e-004 -4.3494e+002 1.3677e+001 5.1224e+005 + -analytic -4.3124e+1 1.2995e-4 -4.3494e+2 1.3677e+1 5.1224e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Gd+++ = Gd(Acetate)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -8.3489 - -delta_H -37.9907 kJ/mol # Calculated enthalpy of reaction Gd(Acetate)3 +3 HAcetate + Gd+3 = Gd(Acetate)3 + 3 H+ + -llnl_gamma 3 + log_k -8.3489 + -delta_H -37.9907 kJ/mol # Calculated enthalpy of reaction Gd(Acetate)3 # Enthalpy of formation: -521.58 kcal/mol - -analytic -8.8296e+001 -5.0939e-003 1.2268e+003 2.8513e+001 6.0745e+005 + -analytic -8.8296e+1 -5.0939e-3 1.2268e+3 2.8513e+1 6.0745e+5 # -Range: 0-300 -2.0000 HCO3- + 1.0000 Gd+++ = Gd(CO3)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -7.5576 - -delta_H 0 # Not possible to calculate enthalpy of reaction Gd(CO3)2- +2 HCO3- + Gd+3 = Gd(CO3)2- + 2 H+ + -llnl_gamma 4 + log_k -7.5576 + -delta_H 0 # Not possible to calculate enthalpy of reaction Gd(CO3)2- # Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Gd+++ = Gd(HPO4)2- - -llnl_gamma 4.0 - log_k +9.6000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Gd(HPO4)2- + +2 HPO4-2 + Gd+3 = Gd(HPO4)2- + -llnl_gamma 4 + log_k 9.6 + -delta_H 0 # Not possible to calculate enthalpy of reaction Gd(HPO4)2- # Enthalpy of formation: -0 kcal/mol - + # Redundant with GdO2- #4.0000 H2O + 1.0000 Gd+++ = Gd(OH)4- +4.0000 H+ -# -llnl_gamma 4.0 +# -llnl_gamma 4.0 # log_k -33.8803 # -delta_H 0 # Not possible to calculate enthalpy of reaction Gd(OH)4- ## Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Gd+++ = Gd(PO4)2--- +2.0000 H+ - -llnl_gamma 4.0 - log_k -3.9437 - -delta_H 0 # Not possible to calculate enthalpy of reaction Gd(PO4)2-3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 Gd+++ = Gd(SO4)2- - -llnl_gamma 4.0 - log_k +5.1000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Gd(SO4)2- -# Enthalpy of formation: -0 kcal/mol - -1.0000 Gd+++ + 1.0000 HAcetate = GdAcetate++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -2.1037 - -delta_H -11.7152 kJ/mol # Calculated enthalpy of reaction GdAcetate+2 + +2 HPO4-2 + Gd+3 = Gd(PO4)2-3 + 2 H+ + -llnl_gamma 4 + log_k -3.9437 + -delta_H 0 # Not possible to calculate enthalpy of reaction Gd(PO4)2-3 +# Enthalpy of formation: -0 kcal/mol + +2 SO4-2 + Gd+3 = Gd(SO4)2- + -llnl_gamma 4 + log_k 5.1 + -delta_H 0 # Not possible to calculate enthalpy of reaction Gd(SO4)2- +# Enthalpy of formation: -0 kcal/mol + +Gd+3 + HAcetate = GdAcetate+2 + H+ + -llnl_gamma 4.5 + log_k -2.1037 + -delta_H -11.7152 kJ/mol # Calculated enthalpy of reaction GdAcetate+2 # Enthalpy of formation: -283.1 kcal/mol - -analytic -1.4118e+001 1.6660e-003 -7.5206e+002 4.2614e+000 3.1187e+005 + -analytic -1.4118e+1 1.666e-3 -7.5206e+2 4.2614e+0 3.1187e+5 # -Range: 0-300 -1.0000 HCO3- + 1.0000 Gd+++ = GdCO3+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.479 - -delta_H 89.9476 kJ/mol # Calculated enthalpy of reaction GdCO3+ +HCO3- + Gd+3 = GdCO3+ + H+ + -llnl_gamma 4 + log_k -2.479 + -delta_H 89.9476 kJ/mol # Calculated enthalpy of reaction GdCO3+ # Enthalpy of formation: -307.6 kcal/mol - -analytic 2.3628e+002 5.4100e-002 -7.0746e+003 -9.3413e+001 -1.1046e+002 + -analytic 2.3628e+2 5.41e-2 -7.0746e+3 -9.3413e+1 -1.1046e+2 # -Range: 0-300 -1.0000 Gd+++ + 1.0000 Cl- = GdCl++ - -llnl_gamma 4.5 - log_k +0.3086 - -delta_H 14.7821 kJ/mol # Calculated enthalpy of reaction GdCl+2 +Gd+3 + Cl- = GdCl+2 + -llnl_gamma 4.5 + log_k 0.3086 + -delta_H 14.7821 kJ/mol # Calculated enthalpy of reaction GdCl+2 # Enthalpy of formation: -200.6 kcal/mol - -analytic 8.0750e+001 3.8524e-002 -1.8591e+003 -3.4621e+001 -2.9034e+001 + -analytic 8.075e+1 3.8524e-2 -1.8591e+3 -3.4621e+1 -2.9034e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Gd+++ = GdCl2+ - -llnl_gamma 4.0 - log_k -0.0425 - -delta_H 21.1961 kJ/mol # Calculated enthalpy of reaction GdCl2+ +2 Cl- + Gd+3 = GdCl2+ + -llnl_gamma 4 + log_k -0.0425 + -delta_H 21.1961 kJ/mol # Calculated enthalpy of reaction GdCl2+ # Enthalpy of formation: -239 kcal/mol - -analytic 2.1754e+002 8.0996e-002 -5.6121e+003 -9.0067e+001 -8.7635e+001 + -analytic 2.1754e+2 8.0996e-2 -5.6121e+3 -9.0067e+1 -8.7635e+1 # -Range: 0-300 -3.0000 Cl- + 1.0000 Gd+++ = GdCl3 - -llnl_gamma 3.0 - log_k -0.4669 - -delta_H 15.895 kJ/mol # Calculated enthalpy of reaction GdCl3 +3 Cl- + Gd+3 = GdCl3 + -llnl_gamma 3 + log_k -0.4669 + -delta_H 15.895 kJ/mol # Calculated enthalpy of reaction GdCl3 # Enthalpy of formation: -280.2 kcal/mol - -analytic 4.1398e+002 1.2829e-001 -1.1230e+004 -1.6770e+002 -1.7535e+002 + -analytic 4.1398e+2 1.2829e-1 -1.123e+4 -1.677e+2 -1.7535e+2 # -Range: 0-300 -4.0000 Cl- + 1.0000 Gd+++ = GdCl4- - -llnl_gamma 4.0 - log_k -0.8913 - -delta_H -1.53971 kJ/mol # Calculated enthalpy of reaction GdCl4- +4 Cl- + Gd+3 = GdCl4- + -llnl_gamma 4 + log_k -0.8913 + -delta_H -1.53971 kJ/mol # Calculated enthalpy of reaction GdCl4- # Enthalpy of formation: -324.3 kcal/mol - -analytic 4.7684e+002 1.3157e-001 -1.3068e+004 -1.9118e+002 -2.0405e+002 + -analytic 4.7684e+2 1.3157e-1 -1.3068e+4 -1.9118e+2 -2.0405e+2 # -Range: 0-300 -1.0000 Gd+++ + 1.0000 F- = GdF++ - -llnl_gamma 4.5 - log_k +4.5886 - -delta_H 21.1292 kJ/mol # Calculated enthalpy of reaction GdF+2 +Gd+3 + F- = GdF+2 + -llnl_gamma 4.5 + log_k 4.5886 + -delta_H 21.1292 kJ/mol # Calculated enthalpy of reaction GdF+2 # Enthalpy of formation: -239.3 kcal/mol - -analytic 1.0060e+002 4.2181e-002 -2.6024e+003 -4.0347e+001 -4.0637e+001 + -analytic 1.006e+2 4.2181e-2 -2.6024e+3 -4.0347e+1 -4.0637e+1 # -Range: 0-300 -2.0000 F- + 1.0000 Gd+++ = GdF2+ - -llnl_gamma 4.0 - log_k +7.9311 - -delta_H 11.2968 kJ/mol # Calculated enthalpy of reaction GdF2+ +2 F- + Gd+3 = GdF2+ + -llnl_gamma 4 + log_k 7.9311 + -delta_H 11.2968 kJ/mol # Calculated enthalpy of reaction GdF2+ # Enthalpy of formation: -321.8 kcal/mol - -analytic 2.3793e+002 8.4732e-002 -5.4950e+003 -9.5689e+001 -8.5815e+001 + -analytic 2.3793e+2 8.4732e-2 -5.495e+3 -9.5689e+1 -8.5815e+1 # -Range: 0-300 -3.0000 F- + 1.0000 Gd+++ = GdF3 - -llnl_gamma 3.0 - log_k +10.4673 - -delta_H -11.506 kJ/mol # Calculated enthalpy of reaction GdF3 +3 F- + Gd+3 = GdF3 + -llnl_gamma 3 + log_k 10.4673 + -delta_H -11.506 kJ/mol # Calculated enthalpy of reaction GdF3 # Enthalpy of formation: -407.4 kcal/mol - -analytic 4.4257e+002 1.3500e-001 -1.0377e+004 -1.7680e+002 -1.6205e+002 + -analytic 4.4257e+2 1.35e-1 -1.0377e+4 -1.768e+2 -1.6205e+2 # -Range: 0-300 -4.0000 F- + 1.0000 Gd+++ = GdF4- - -llnl_gamma 4.0 - log_k +12.4904 - -delta_H -52.3 kJ/mol # Calculated enthalpy of reaction GdF4- +4 F- + Gd+3 = GdF4- + -llnl_gamma 4 + log_k 12.4904 + -delta_H -52.3 kJ/mol # Calculated enthalpy of reaction GdF4- # Enthalpy of formation: -497.3 kcal/mol - -analytic 4.9026e+002 1.3534e-001 -1.0586e+004 -1.9501e+002 -1.6533e+002 + -analytic 4.9026e+2 1.3534e-1 -1.0586e+4 -1.9501e+2 -1.6533e+2 # -Range: 0-300 -1.0000 HPO4-- + 1.0000 H+ + 1.0000 Gd+++ = GdH2PO4++ - -llnl_gamma 4.5 - log_k +9.4484 - -delta_H -14.9996 kJ/mol # Calculated enthalpy of reaction GdH2PO4+2 +HPO4-2 + H+ + Gd+3 = GdH2PO4+2 + -llnl_gamma 4.5 + log_k 9.4484 + -delta_H -14.9996 kJ/mol # Calculated enthalpy of reaction GdH2PO4+2 # Enthalpy of formation: -476.6 kcal/mol - -analytic 1.1058e+002 6.4124e-002 1.3451e+002 -4.8758e+001 2.0660e+000 + -analytic 1.1058e+2 6.4124e-2 1.3451e+2 -4.8758e+1 2.066e+0 # -Range: 0-300 -1.0000 HCO3- + 1.0000 Gd+++ = GdHCO3++ - -llnl_gamma 4.5 - log_k +1.6991 - -delta_H 10.0332 kJ/mol # Calculated enthalpy of reaction GdHCO3+2 +HCO3- + Gd+3 = GdHCO3+2 + -llnl_gamma 4.5 + log_k 1.6991 + -delta_H 10.0332 kJ/mol # Calculated enthalpy of reaction GdHCO3+2 # Enthalpy of formation: -326.7 kcal/mol - -analytic 4.1973e+001 3.2521e-002 -2.3475e+002 -1.9864e+001 -3.6757e+000 + -analytic 4.1973e+1 3.2521e-2 -2.3475e+2 -1.9864e+1 -3.6757e+0 # -Range: 0-300 -1.0000 HPO4-- + 1.0000 Gd+++ = GdHPO4+ - -llnl_gamma 4.0 - log_k -185.109 - -delta_H 0 # Not possible to calculate enthalpy of reaction GdHPO4+ +HPO4-2 + Gd+3 = GdHPO4+ + -llnl_gamma 4 + log_k -185.109 + -delta_H 0 # Not possible to calculate enthalpy of reaction GdHPO4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 NO3- + 1.0000 Gd+++ = GdNO3++ - -llnl_gamma 4.5 - log_k +0.4347 - -delta_H -25.8195 kJ/mol # Calculated enthalpy of reaction GdNO3+2 + +NO3- + Gd+3 = GdNO3+2 + -llnl_gamma 4.5 + log_k 0.4347 + -delta_H -25.8195 kJ/mol # Calculated enthalpy of reaction GdNO3+2 # Enthalpy of formation: -219.8 kcal/mol - -analytic 2.0253e+001 2.6372e-002 1.8785e+003 -1.3723e+001 2.9306e+001 + -analytic 2.0253e+1 2.6372e-2 1.8785e+3 -1.3723e+1 2.9306e+1 # -Range: 0-300 -1.0000 H2O + 1.0000 Gd+++ = GdO+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -16.337 - -delta_H 113.039 kJ/mol # Calculated enthalpy of reaction GdO+ +H2O + Gd+3 = GdO+ + 2 H+ + -llnl_gamma 4 + log_k -16.337 + -delta_H 113.039 kJ/mol # Calculated enthalpy of reaction GdO+ # Enthalpy of formation: -205.5 kcal/mol - -analytic 2.0599e+002 3.2521e-002 -1.4547e+004 -7.4048e+001 -2.2705e+002 + -analytic 2.0599e+2 3.2521e-2 -1.4547e+4 -7.4048e+1 -2.2705e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Gd+++ = GdO2- +4.0000 H+ - -llnl_gamma 4.0 - log_k -34.4333 - -delta_H 283.817 kJ/mol # Calculated enthalpy of reaction GdO2- +2 H2O + Gd+3 = GdO2- + 4 H+ + -llnl_gamma 4 + log_k -34.4333 + -delta_H 283.817 kJ/mol # Calculated enthalpy of reaction GdO2- # Enthalpy of formation: -233 kcal/mol - -analytic 1.2067e+002 6.6276e-003 -1.5531e+004 -4.0448e+001 -4.3587e+005 + -analytic 1.2067e+2 6.6276e-3 -1.5531e+4 -4.0448e+1 -4.3587e+5 # -Range: 0-300 -2.0000 H2O + 1.0000 Gd+++ = GdO2H +3.0000 H+ - -llnl_gamma 3.0 - log_k -25.2707 - -delta_H 224.405 kJ/mol # Calculated enthalpy of reaction GdO2H +2 H2O + Gd+3 = GdO2H + 3 H+ + -llnl_gamma 3 + log_k -25.2707 + -delta_H 224.405 kJ/mol # Calculated enthalpy of reaction GdO2H # Enthalpy of formation: -247.2 kcal/mol - -analytic 3.6324e+002 4.7938e-002 -2.4275e+004 -1.2988e+002 -3.7889e+002 + -analytic 3.6324e+2 4.7938e-2 -2.4275e+4 -1.2988e+2 -3.7889e+2 # -Range: 0-300 -1.0000 H2O + 1.0000 Gd+++ = GdOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -7.9075 - -delta_H 79.9855 kJ/mol # Calculated enthalpy of reaction GdOH+2 +H2O + Gd+3 = GdOH+2 + H+ + -llnl_gamma 4.5 + log_k -7.9075 + -delta_H 79.9855 kJ/mol # Calculated enthalpy of reaction GdOH+2 # Enthalpy of formation: -213.4 kcal/mol - -analytic 8.3265e+001 1.4153e-002 -6.8229e+003 -2.9301e+001 -1.0649e+002 + -analytic 8.3265e+1 1.4153e-2 -6.8229e+3 -2.9301e+1 -1.0649e+2 # -Range: 0-300 -1.0000 HPO4-- + 1.0000 Gd+++ = GdPO4 +1.0000 H+ - -llnl_gamma 3.0 - log_k -0.1218 - -delta_H 0 # Not possible to calculate enthalpy of reaction GdPO4 +HPO4-2 + Gd+3 = GdPO4 + H+ + -llnl_gamma 3 + log_k -0.1218 + -delta_H 0 # Not possible to calculate enthalpy of reaction GdPO4 # Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Gd+++ = GdSO4+ - -llnl_gamma 4.0 - log_k -3.687 - -delta_H 20.0832 kJ/mol # Calculated enthalpy of reaction GdSO4+ + +SO4-2 + Gd+3 = GdSO4+ + -llnl_gamma 4 + log_k -3.687 + -delta_H 20.0832 kJ/mol # Calculated enthalpy of reaction GdSO4+ # Enthalpy of formation: -376.8 kcal/mol - -analytic 3.0783e+002 8.6798e-002 -1.1246e+004 -1.2109e+002 -1.7557e+002 + -analytic 3.0783e+2 8.6798e-2 -1.1246e+4 -1.2109e+2 -1.7557e+2 # -Range: 0-300 -1.0000 O_phthalate-2 + 1.0000 H+ = H(O_phthalate)- - -llnl_gamma 4.0 - log_k +5.4080 - -delta_H 0 # Not possible to calculate enthalpy of reaction H(O_phthalate)- +O_phthalate-2 + H+ = H(O_phthalate)- + -llnl_gamma 4 + log_k 5.408 + -delta_H 0 # Not possible to calculate enthalpy of reaction H(O_phthalate)- # Enthalpy of formation: -0 kcal/mol - -2.0000 H+ + 1.0000 CrO4-- = H2CrO4 - -llnl_gamma 3.0 - log_k +5.1750 - -delta_H 42.8274 kJ/mol # Calculated enthalpy of reaction H2CrO4 + +2 H+ + CrO4-2 = H2CrO4 + -llnl_gamma 3 + log_k 5.175 + -delta_H 42.8274 kJ/mol # Calculated enthalpy of reaction H2CrO4 # Enthalpy of formation: -200.364 kcal/mol - -analytic 4.2958e+002 1.4939e-001 -1.1474e+004 -1.7396e+002 -1.9499e+002 + -analytic 4.2958e+2 1.4939e-1 -1.1474e+4 -1.7396e+2 -1.9499e+2 # -Range: 0-200 -2.0000 H+ + 2.0000 F- = H2F2 - -llnl_gamma 3.0 - log_k +6.7680 - -delta_H 0 # Not possible to calculate enthalpy of reaction H2F2 +2 H+ + 2 F- = H2F2 + -llnl_gamma 3 + log_k 6.768 + -delta_H 0 # Not possible to calculate enthalpy of reaction H2F2 # Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 2.0000 H+ = H2P2O7-- +1.0000 H2O - -llnl_gamma 4.0 - log_k +12.0709 - -delta_H 19.7192 kJ/mol # Calculated enthalpy of reaction H2P2O7-2 + +2 HPO4-2 + 2 H+ = H2P2O7-2 + H2O + -llnl_gamma 4 + log_k 12.0709 + -delta_H 19.7192 kJ/mol # Calculated enthalpy of reaction H2P2O7-2 # Enthalpy of formation: -544.6 kcal/mol - -analytic 1.4825e+002 6.7021e-002 -2.8329e+003 -5.9251e+001 -4.4248e+001 + -analytic 1.4825e+2 6.7021e-2 -2.8329e+3 -5.9251e+1 -4.4248e+1 # -Range: 0-300 -3.0000 H+ + 1.0000 HPO4-- + 1.0000 F- = H2PO3F +1.0000 H2O - -llnl_gamma 3.0 - log_k +12.1047 - -delta_H 0 # Not possible to calculate enthalpy of reaction H2PO3F +3 H+ + HPO4-2 + F- = H2PO3F + H2O + -llnl_gamma 3 + log_k 12.1047 + -delta_H 0 # Not possible to calculate enthalpy of reaction H2PO3F # Enthalpy of formation: -0 kcal/mol - -1.0000 HPO4-- + 1.0000 H+ = H2PO4- - -llnl_gamma 4.0 - log_k +7.2054 - -delta_H -4.20492 kJ/mol # Calculated enthalpy of reaction H2PO4- + +HPO4-2 + H+ = H2PO4- + -llnl_gamma 4 + log_k 7.2054 + -delta_H -4.20492 kJ/mol # Calculated enthalpy of reaction H2PO4- # Enthalpy of formation: -309.82 kcal/mol - -analytic 8.2149e+001 3.4077e-002 -1.0431e+003 -3.2970e+001 -1.6301e+001 + -analytic 8.2149e+1 3.4077e-2 -1.0431e+3 -3.297e+1 -1.6301e+1 # -Range: 0-300 #1.0000 HS- + 1.0000 H+ = H2S -# -llnl_gamma 3.0 +# -llnl_gamma 3.0 # log_k +6.99 # -analytic 1.2833e+002 5.1641e-002 -1.1681e+003 -5.3665e+001 -1.8266e+001 # -Range: 0-300 -# these (above) H2S values are from +# these (above) H2S values are from # Suleimenov & Seward, Geochim. Cosmochim. Acta, v. 61, p. 5187-5198. # values below are the original Thermo.com.v8.r6.230 data from somewhere -1.0000 HS- + 1.0000 H+ = H2S - -llnl_gamma 3.0 - log_k +6.9877 - -delta_H -21.5518 kJ/mol # Calculated enthalpy of reaction H2S +HS- + H+ = H2S + -llnl_gamma 3 + log_k 6.9877 + -delta_H -21.5518 kJ/mol # Calculated enthalpy of reaction H2S # Enthalpy of formation: -9.001 kcal/mol - -analytic 3.9283e+001 2.8727e-002 1.3477e+003 -1.8331e+001 2.1018e+001 + -analytic 3.9283e+1 2.8727e-2 1.3477e+3 -1.8331e+1 2.1018e+1 # -Range: 0-300 -2.0000 H+ + 1.0000 SO3-- = H2SO3 - -llnl_gamma 3.0 - log_k +9.2132 - -delta_H 0 # Not possible to calculate enthalpy of reaction H2SO3 +2 H+ + SO3-2 = H2SO3 + -llnl_gamma 3 + log_k 9.2132 + -delta_H 0 # Not possible to calculate enthalpy of reaction H2SO3 # Enthalpy of formation: -0 kcal/mol - -2.0000 H+ + 1.0000 SO4-- = H2SO4 - -llnl_gamma 3.0 - log_k -1.0209 - -delta_H 0 # Not possible to calculate enthalpy of reaction H2SO4 + +2 H+ + SO4-2 = H2SO4 + -llnl_gamma 3 + log_k -1.0209 + -delta_H 0 # Not possible to calculate enthalpy of reaction H2SO4 # Enthalpy of formation: -0 kcal/mol - -2.0000 H+ + 1.0000 Se-- = H2Se - -llnl_gamma 3.0 - log_k +18.7606 - -delta_H 0 # Not possible to calculate enthalpy of reaction H2Se + +2 H+ + Se-2 = H2Se + -llnl_gamma 3 + log_k 18.7606 + -delta_H 0 # Not possible to calculate enthalpy of reaction H2Se # Enthalpy of formation: 19.412 kJ/mol - -analytic 3.6902e+002 1.2855e-001 -5.5900e+003 -1.4946e+002 -9.5054e+001 + -analytic 3.6902e+2 1.2855e-1 -5.59e+3 -1.4946e+2 -9.5054e+1 # -Range: 0-200 -2.0000 H+ + 1.0000 SeO3-- = H2SeO3 - -llnl_gamma 3.0 - log_k +9.8589 - -delta_H 1.7238 kJ/mol # Calculated enthalpy of reaction H2SeO3 +2 H+ + SeO3-2 = H2SeO3 + -llnl_gamma 3 + log_k 9.8589 + -delta_H 1.7238 kJ/mol # Calculated enthalpy of reaction H2SeO3 # Enthalpy of formation: -507.469 kJ/mol - -analytic 2.7850e+002 1.0460e-001 -5.4934e+003 -1.1371e+002 -9.3383e+001 + -analytic 2.785e+2 1.046e-1 -5.4934e+3 -1.1371e+2 -9.3383e+1 # -Range: 0-200 -2.0000 H2O + 1.0000 SiO2 = H2SiO4-- +2.0000 H+ - -llnl_gamma 4.0 - log_k -22.96 - -delta_H 0 # Not possible to calculate enthalpy of reaction H2SiO4-2 +2 H2O + SiO2 = H2SiO4-2 + 2 H+ + -llnl_gamma 4 + log_k -22.96 + -delta_H 0 # Not possible to calculate enthalpy of reaction H2SiO4-2 # Enthalpy of formation: -0 kcal/mol - -2.0000 H+ + 1.0000 TcO4-- = H2TcO4 - -llnl_gamma 3.0 - log_k +9.0049 - -delta_H 0 # Not possible to calculate enthalpy of reaction H2TcO4 + +2 H+ + TcO4-2 = H2TcO4 + -llnl_gamma 3 + log_k 9.0049 + -delta_H 0 # Not possible to calculate enthalpy of reaction H2TcO4 # Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 VO2+ = H2VO4- + 2.0000 H+ - -llnl_gamma 4.0 - log_k -7.0922 - -delta_H 0 # Not possible to calculate enthalpy of reaction H2VO4- + +2 H2O + VO2+ = H2VO4- + 2 H+ + -llnl_gamma 4 + log_k -7.0922 + -delta_H 0 # Not possible to calculate enthalpy of reaction H2VO4- # Enthalpy of formation: -0 kcal/mol - -analytic 1.7105e+001 -1.7503e-002 -4.2671e+003 -1.8910e+000 -6.6589e+001 + -analytic 1.7105e+1 -1.7503e-2 -4.2671e+3 -1.891e+0 -6.6589e+1 # -Range: 0-300 -1.0000 H2AsO4- + 1.0000 H+ = H3AsO4 - -llnl_gamma 3.0 - log_k +2.2492 - -delta_H 7.17876 kJ/mol # Calculated enthalpy of reaction H3AsO4 +H2AsO4- + H+ = H3AsO4 + -llnl_gamma 3 + log_k 2.2492 + -delta_H 7.17876 kJ/mol # Calculated enthalpy of reaction H3AsO4 # Enthalpy of formation: -902.381 kJ/mol - -analytic 1.4043e+002 4.6288e-002 -3.5868e+003 -5.6560e+001 -6.0957e+001 + -analytic 1.4043e+2 4.6288e-2 -3.5868e+3 -5.656e+1 -6.0957e+1 # -Range: 0-200 -3.0000 H+ + 2.0000 HPO4-- = H3P2O7- +1.0000 H2O - -llnl_gamma 4.0 - log_k +14.4165 - -delta_H 21.8112 kJ/mol # Calculated enthalpy of reaction H3P2O7- +3 H+ + 2 HPO4-2 = H3P2O7- + H2O + -llnl_gamma 4 + log_k 14.4165 + -delta_H 21.8112 kJ/mol # Calculated enthalpy of reaction H3P2O7- # Enthalpy of formation: -544.1 kcal/mol - -analytic 2.3157e+002 1.0161e-001 -4.3723e+003 -9.4050e+001 -6.8295e+001 + -analytic 2.3157e+2 1.0161e-1 -4.3723e+3 -9.405e+1 -6.8295e+1 # -Range: 0-300 -2.0000 H+ + 1.0000 HPO4-- = H3PO4 - -llnl_gamma 3.0 - log_k +9.3751 - -delta_H 3.74468 kJ/mol # Calculated enthalpy of reaction H3PO4 +2 H+ + HPO4-2 = H3PO4 + -llnl_gamma 3 + log_k 9.3751 + -delta_H 3.74468 kJ/mol # Calculated enthalpy of reaction H3PO4 # Enthalpy of formation: -307.92 kcal/mol - -analytic 1.8380e+002 6.7320e-002 -3.7792e+003 -7.3463e+001 -5.9025e+001 + -analytic 1.838e+2 6.732e-2 -3.7792e+3 -7.3463e+1 -5.9025e+1 # -Range: 0-300 -8.0000 H2O + 4.0000 SiO2 = H4(H2SiO4)4---- +4.0000 H+ - -llnl_gamma 4.0 - log_k -35.94 - -delta_H 0 # Not possible to calculate enthalpy of reaction H4(H2SiO4)4-4 +8 H2O + 4 SiO2 = H4(H2SiO4)4-4 + 4 H+ + -llnl_gamma 4 + log_k -35.94 + -delta_H 0 # Not possible to calculate enthalpy of reaction H4(H2SiO4)4-4 # Enthalpy of formation: -0 kcal/mol - -4.0000 H+ + 2.0000 HPO4-- = H4P2O7 +1.0000 H2O - -llnl_gamma 3.0 - log_k +15.9263 - -delta_H 29.7226 kJ/mol # Calculated enthalpy of reaction H4P2O7 + +4 H+ + 2 HPO4-2 = H4P2O7 + H2O + -llnl_gamma 3 + log_k 15.9263 + -delta_H 29.7226 kJ/mol # Calculated enthalpy of reaction H4P2O7 # Enthalpy of formation: -2268.6 kJ/mol - -analytic 6.9026e+002 2.4309e-001 -1.6165e+004 -2.7989e+002 -2.7475e+002 + -analytic 6.9026e+2 2.4309e-1 -1.6165e+4 -2.7989e+2 -2.7475e+2 # -Range: 0-200 -8.0000 H2O + 4.0000 SiO2 = H6(H2SiO4)4-- +2.0000 H+ - -llnl_gamma 4.0 - log_k -13.64 - -delta_H 0 # Not possible to calculate enthalpy of reaction H6(H2SiO4)4-2 +8 H2O + 4 SiO2 = H6(H2SiO4)4-2 + 2 H+ + -llnl_gamma 4 + log_k -13.64 + -delta_H 0 # Not possible to calculate enthalpy of reaction H6(H2SiO4)4-2 # Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 Al+++ = HAlO2 +3.0000 H+ - -llnl_gamma 3.0 - log_k -16.4329 - -delta_H 144.704 kJ/mol # Calculated enthalpy of reaction HAlO2 + +2 H2O + Al+3 = HAlO2 + 3 H+ + -llnl_gamma 3 + log_k -16.4329 + -delta_H 144.704 kJ/mol # Calculated enthalpy of reaction HAlO2 # Enthalpy of formation: -230.73 kcal/mol - -analytic 4.2012e+001 1.9980e-002 -7.7847e+003 -1.5470e+001 -1.2149e+002 + -analytic 4.2012e+1 1.998e-2 -7.7847e+3 -1.547e+1 -1.2149e+2 # -Range: 0-300 -1.0000 H2AsO3- + 1.0000 H+ = HAsO2 +1.0000 H2O - -llnl_gamma 3.0 - log_k 9.2792 - -delta_H 0 # Not possible to calculate enthalpy of reaction HAsO2 +H2AsO3- + H+ = HAsO2 + H2O + -llnl_gamma 3 + log_k 9.2792 + -delta_H 0 # Not possible to calculate enthalpy of reaction HAsO2 # Enthalpy of formation: -0 kcal/mol - -analytic 3.1290e+002 9.3052e-002 -6.5052e+003 -1.2510e+002 -1.1058e+002 + -analytic 3.129e+2 9.3052e-2 -6.5052e+3 -1.251e+2 -1.1058e+2 # -Range: 0-200 -1.0000 H2AsO4- + 1.0000 H+ + 1.0000 F- = HAsO3F- +1.0000 H2O - -llnl_gamma 4.0 - log_k +46.1158 - -delta_H 0 # Not possible to calculate enthalpy of reaction HAsO3F- +H2AsO4- + H+ + F- = HAsO3F- + H2O + -llnl_gamma 4 + log_k 46.1158 + -delta_H 0 # Not possible to calculate enthalpy of reaction HAsO3F- # Enthalpy of formation: -0 kcal/mol - -1.0000 H2AsO4- = HAsO4-- +1.0000 H+ - -llnl_gamma 4.0 - log_k -6.7583 - -delta_H 3.22168 kJ/mol # Calculated enthalpy of reaction HAsO4-2 + +H2AsO4- = HAsO4-2 + H+ + -llnl_gamma 4 + log_k -6.7583 + -delta_H 3.22168 kJ/mol # Calculated enthalpy of reaction HAsO4-2 # Enthalpy of formation: -216.62 kcal/mol - -analytic -8.4546e+001 -3.4630e-002 1.1829e+003 3.3997e+001 1.8483e+001 + -analytic -8.4546e+1 -3.463e-2 1.1829e+3 3.3997e+1 1.8483e+1 # -Range: 0-300 -3.0000 H+ + 2.0000 HS- + 1.0000 H2AsO3- = HAsS2 +3.0000 H2O - -llnl_gamma 3.0 - log_k +30.4803 - -delta_H 0 # Not possible to calculate enthalpy of reaction HAsS2 +3 H+ + 2 HS- + H2AsO3- = HAsS2 + 3 H2O + -llnl_gamma 3 + log_k 30.4803 + -delta_H 0 # Not possible to calculate enthalpy of reaction HAsS2 # Enthalpy of formation: -0 kcal/mol - -1.0000 H+ + 1.0000 BrO- = HBrO - -llnl_gamma 3.0 - log_k +8.3889 - -delta_H 0 # Not possible to calculate enthalpy of reaction HBrO + +H+ + BrO- = HBrO + -llnl_gamma 3 + log_k 8.3889 + -delta_H 0 # Not possible to calculate enthalpy of reaction HBrO # Enthalpy of formation: -0 kcal/mol - -1.0000 H+ + 1.0000 Cyanide- = HCyanide - -llnl_gamma 3.0 - log_k +9.2359 - -delta_H -43.5136 kJ/mol # Calculated enthalpy of reaction HCyanide + +H+ + Cyanide- = HCyanide + -llnl_gamma 3 + log_k 9.2359 + -delta_H -43.5136 kJ/mol # Calculated enthalpy of reaction HCyanide # Enthalpy of formation: 25.6 kcal/mol - -analytic 1.0536e+001 2.3105e-002 3.3038e+003 -7.7786e+000 5.1550e+001 + -analytic 1.0536e+1 2.3105e-2 3.3038e+3 -7.7786e+0 5.155e+1 # -Range: 0-300 -1.0000 H+ + 1.0000 Cl- = HCl - -llnl_gamma 3.0 - log_k -0.67 - -delta_H 0 # Not possible to calculate enthalpy of reaction HCl +H+ + Cl- = HCl + -llnl_gamma 3 + log_k -0.67 + -delta_H 0 # Not possible to calculate enthalpy of reaction HCl # Enthalpy of formation: -0 kcal/mol - -analytic 4.1893e+002 1.1103e-001 -1.1784e+004 -1.6697e+002 -1.8400e+002 + -analytic 4.1893e+2 1.1103e-1 -1.1784e+4 -1.6697e+2 -1.84e+2 # -Range: 0-300 -1.0000 H+ + 1.0000 ClO- = HClO - -llnl_gamma 3.0 - log_k +7.5692 - -delta_H 0 # Not possible to calculate enthalpy of reaction HClO +H+ + ClO- = HClO + -llnl_gamma 3 + log_k 7.5692 + -delta_H 0 # Not possible to calculate enthalpy of reaction HClO # Enthalpy of formation: -0 kcal/mol - -1.0000 H+ + 1.0000 ClO2- = HClO2 - -llnl_gamma 3.0 - log_k +3.1698 - -delta_H 0 # Not possible to calculate enthalpy of reaction HClO2 + +H+ + ClO2- = HClO2 + -llnl_gamma 3 + log_k 3.1698 + -delta_H 0 # Not possible to calculate enthalpy of reaction HClO2 # Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 Co++ = HCoO2- +3.0000 H+ - -llnl_gamma 4.0 - log_k -21.243 - -delta_H 0 # Not possible to calculate enthalpy of reaction HCoO2- + +2 H2O + Co+2 = HCoO2- + 3 H+ + -llnl_gamma 4 + log_k -21.243 + -delta_H 0 # Not possible to calculate enthalpy of reaction HCoO2- # Enthalpy of formation: -0 kcal/mol - -1.0000 H+ + 1.0000 CrO4-- = HCrO4- - -llnl_gamma 4.0 - log_k +6.4944 - -delta_H 2.9288 kJ/mol # Calculated enthalpy of reaction HCrO4- + +H+ + CrO4-2 = HCrO4- + -llnl_gamma 4 + log_k 6.4944 + -delta_H 2.9288 kJ/mol # Calculated enthalpy of reaction HCrO4- # Enthalpy of formation: -209.9 kcal/mol - -analytic 4.4944e+001 3.2740e-002 1.8400e+002 -1.9722e+001 2.8578e+000 + -analytic 4.4944e+1 3.274e-2 1.84e+2 -1.9722e+1 2.8578e+0 # -Range: 0-300 -1.0000 H+ + 1.0000 F- = HF - -llnl_gamma 3.0 - log_k +3.1681 - -delta_H 13.87 kJ/mol # Calculated enthalpy of reaction HF +H+ + F- = HF + -llnl_gamma 3 + log_k 3.1681 + -delta_H 13.87 kJ/mol # Calculated enthalpy of reaction HF # Enthalpy of formation: -76.835 kcal/mol - -analytic 8.6626e+001 3.2861e-002 -2.3026e+003 -3.4559e+001 -3.5956e+001 + -analytic 8.6626e+1 3.2861e-2 -2.3026e+3 -3.4559e+1 -3.5956e+1 # -Range: 0-300 -2.0000 F- + 1.0000 H+ = HF2- - -llnl_gamma 4.0 - log_k +2.5509 - -delta_H 20.7526 kJ/mol # Calculated enthalpy of reaction HF2- +2 F- + H+ = HF2- + -llnl_gamma 4 + log_k 2.5509 + -delta_H 20.7526 kJ/mol # Calculated enthalpy of reaction HF2- # Enthalpy of formation: -155.34 kcal/mol - -analytic 1.4359e+002 4.0866e-002 -4.6776e+003 -5.5574e+001 -7.3032e+001 + -analytic 1.4359e+2 4.0866e-2 -4.6776e+3 -5.5574e+1 -7.3032e+1 # -Range: 0-300 -1.0000 IO3- + 1.0000 H+ = HIO3 - -llnl_gamma 3.0 - log_k +0.4915 - -delta_H 0 # Not possible to calculate enthalpy of reaction HIO3 +IO3- + H+ = HIO3 + -llnl_gamma 3 + log_k 0.4915 + -delta_H 0 # Not possible to calculate enthalpy of reaction HIO3 # Enthalpy of formation: -0 kcal/mol - -1.0000 N3- + 1.0000 H+ = HN3 - -llnl_gamma 3.0 - log_k +4.7001 - -delta_H -15 kJ/mol # Calculated enthalpy of reaction HN3 + +N3- + H+ = HN3 + -llnl_gamma 3 + log_k 4.7001 + -delta_H -15 kJ/mol # Calculated enthalpy of reaction HN3 # Enthalpy of formation: 260.14 kJ/mol - -analytic 6.9976e+001 2.4359e-002 -7.1947e+002 -2.8339e+001 -1.2242e+001 + -analytic 6.9976e+1 2.4359e-2 -7.1947e+2 -2.8339e+1 -1.2242e+1 # -Range: 0-200 -1.0000 NO2- + 1.0000 H+ = HNO2 - -llnl_gamma 3.0 - log_k +3.2206 - -delta_H -14.782 kJ/mol # Calculated enthalpy of reaction HNO2 +NO2- + H+ = HNO2 + -llnl_gamma 3 + log_k 3.2206 + -delta_H -14.782 kJ/mol # Calculated enthalpy of reaction HNO2 # Enthalpy of formation: -119.382 kJ/mol - -analytic 1.9653e+000 -1.1603e-004 0.0000e+000 0.0000e+000 1.1569e+005 + -analytic 1.9653e+0 -1.1603e-4 0e+0 0e+0 1.1569e+5 # -Range: 0-200 -1.0000 NO3- + 1.0000 H+ = HNO3 - -llnl_gamma 3.0 - log_k -1.3025 - -delta_H 16.8155 kJ/mol # Calculated enthalpy of reaction HNO3 +NO3- + H+ = HNO3 + -llnl_gamma 3 + log_k -1.3025 + -delta_H 16.8155 kJ/mol # Calculated enthalpy of reaction HNO3 # Enthalpy of formation: -45.41 kcal/mol - -analytic 9.9744e+001 3.4866e-002 -3.0975e+003 -4.0830e+001 -4.8363e+001 + -analytic 9.9744e+1 3.4866e-2 -3.0975e+3 -4.083e+1 -4.8363e+1 # -Range: 0-300 -2.0000 HPO4-- + 1.0000 H+ = HP2O7--- +1.0000 H2O - -llnl_gamma 4.0 - log_k +5.4498 - -delta_H 23.3326 kJ/mol # Calculated enthalpy of reaction HP2O7-3 +2 HPO4-2 + H+ = HP2O7-3 + H2O + -llnl_gamma 4 + log_k 5.4498 + -delta_H 23.3326 kJ/mol # Calculated enthalpy of reaction HP2O7-3 # Enthalpy of formation: -2274.99 kJ/mol - -analytic 3.9159e+002 1.5438e-001 -8.7071e+003 -1.6283e+002 -1.3598e+002 -# -Range: 0-300 - -2.0000 H+ + 1.0000 HPO4-- + 1.0000 F- = HPO3F- +1.0000 H2O - -llnl_gamma 4.0 - log_k +11.2988 - -delta_H 0 # Not possible to calculate enthalpy of reaction HPO3F- -# Enthalpy of formation: -0 kcal/mol - -1.0000 RuO4 + 1.0000 H2O = HRuO5- +1.0000 H+ - -llnl_gamma 4.0 - log_k -11.5244 - -delta_H 0 # Not possible to calculate enthalpy of reaction HRuO5- -# Enthalpy of formation: -0 kcal/mol - -1.0000 H+ + 1.0000 S2O3-- = HS2O3- - -llnl_gamma 4.0 - log_k 1.0139 - -delta_H 0 # Not possible to calculate enthalpy of reaction HS2O3- -# Enthalpy of formation: -0 kcal/mol - -1.0000 SO3-- + 1.0000 H+ = HSO3- - -llnl_gamma 4.0 - log_k +7.2054 - -delta_H 9.33032 kJ/mol # Calculated enthalpy of reaction HSO3- + -analytic 3.9159e+2 1.5438e-1 -8.7071e+3 -1.6283e+2 -1.3598e+2 +# -Range: 0-300 + +2 H+ + HPO4-2 + F- = HPO3F- + H2O + -llnl_gamma 4 + log_k 11.2988 + -delta_H 0 # Not possible to calculate enthalpy of reaction HPO3F- +# Enthalpy of formation: -0 kcal/mol + +RuO4 + H2O = HRuO5- + H+ + -llnl_gamma 4 + log_k -11.5244 + -delta_H 0 # Not possible to calculate enthalpy of reaction HRuO5- +# Enthalpy of formation: -0 kcal/mol + +H+ + S2O3-2 = HS2O3- + -llnl_gamma 4 + log_k 1.0139 + -delta_H 0 # Not possible to calculate enthalpy of reaction HS2O3- +# Enthalpy of formation: -0 kcal/mol + +SO3-2 + H+ = HSO3- + -llnl_gamma 4 + log_k 7.2054 + -delta_H 9.33032 kJ/mol # Calculated enthalpy of reaction HSO3- # Enthalpy of formation: -149.67 kcal/mol - -analytic 5.5899e+001 3.3623e-002 -5.0120e+002 -2.3040e+001 -7.8373e+000 + -analytic 5.5899e+1 3.3623e-2 -5.012e+2 -2.304e+1 -7.8373e+0 # -Range: 0-300 -1.0000 SO4-- + 1.0000 H+ = HSO4- - -llnl_gamma 4.0 - log_k +1.9791 - -delta_H 20.5016 kJ/mol # Calculated enthalpy of reaction HSO4- +SO4-2 + H+ = HSO4- + -llnl_gamma 4 + log_k 1.9791 + -delta_H 20.5016 kJ/mol # Calculated enthalpy of reaction HSO4- # Enthalpy of formation: -212.5 kcal/mol - -analytic 4.9619e+001 3.0368e-002 -1.1558e+003 -2.1335e+001 -1.8051e+001 + -analytic 4.9619e+1 3.0368e-2 -1.1558e+3 -2.1335e+1 -1.8051e+1 # -Range: 0-300 -4.0000 HS- + 3.0000 H+ + 2.0000 Sb(OH)3 = HSb2S4- +6.0000 H2O - -llnl_gamma 4.0 - log_k +50.6100 - -delta_H 0 # Not possible to calculate enthalpy of reaction HSb2S4- +4 HS- + 3 H+ + 2 Sb(OH)3 = HSb2S4- + 6 H2O + -llnl_gamma 4 + log_k 50.61 + -delta_H 0 # Not possible to calculate enthalpy of reaction HSb2S4- # Enthalpy of formation: -0 kcal/mol - -analytic 1.7540e+002 8.2177e-002 1.0786e+004 -7.4874e+001 1.6826e+002 + -analytic 1.754e+2 8.2177e-2 1.0786e+4 -7.4874e+1 1.6826e+2 # -Range: 0-300 -1.0000 SeO3-- + 1.0000 H+ = HSeO3- - -llnl_gamma 4.0 - log_k +7.2861 - -delta_H -5.35552 kJ/mol # Calculated enthalpy of reaction HSeO3- +SeO3-2 + H+ = HSeO3- + -llnl_gamma 4 + log_k 7.2861 + -delta_H -5.35552 kJ/mol # Calculated enthalpy of reaction HSeO3- # Enthalpy of formation: -122.98 kcal/mol - -analytic 5.0427e+001 3.2250e-002 2.9603e+002 -2.1711e+001 4.6044e+000 + -analytic 5.0427e+1 3.225e-2 2.9603e+2 -2.1711e+1 4.6044e+0 # -Range: 0-300 -1.0000 SeO4-- + 1.0000 H+ = HSeO4- - -llnl_gamma 4.0 - log_k +1.9058 - -delta_H 17.5728 kJ/mol # Calculated enthalpy of reaction HSeO4- +SeO4-2 + H+ = HSeO4- + -llnl_gamma 4 + log_k 1.9058 + -delta_H 17.5728 kJ/mol # Calculated enthalpy of reaction HSeO4- # Enthalpy of formation: -139 kcal/mol - -analytic 1.4160e+002 3.9801e-002 -4.5392e+003 -5.5088e+001 -7.0872e+001 + -analytic 1.416e+2 3.9801e-2 -4.5392e+3 -5.5088e+1 -7.0872e+1 # -Range: 0-300 -1.0000 SiO2 + 1.0000 H2O = HSiO3- +1.0000 H+ - -llnl_gamma 4.0 - log_k -9.9525 - -delta_H 25.991 kJ/mol # Calculated enthalpy of reaction HSiO3- +SiO2 + H2O = HSiO3- + H+ + -llnl_gamma 4 + log_k -9.9525 + -delta_H 25.991 kJ/mol # Calculated enthalpy of reaction HSiO3- # Enthalpy of formation: -271.88 kcal/mol - -analytic 6.4211e+001 -2.4872e-002 -1.2707e+004 -1.4681e+001 1.0853e+006 + -analytic 6.4211e+1 -2.4872e-2 -1.2707e+4 -1.4681e+1 1.0853e+6 # -Range: 0-300 -1.0000 TcO4-- + 1.0000 H+ = HTcO4- - -llnl_gamma 4.0 - log_k +8.7071 - -delta_H 0 # Not possible to calculate enthalpy of reaction HTcO4- +TcO4-2 + H+ = HTcO4- + -llnl_gamma 4 + log_k 8.7071 + -delta_H 0 # Not possible to calculate enthalpy of reaction HTcO4- # Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 VO2+ = HVO4-- +3.0000 H+ - -llnl_gamma 4.0 - log_k -15.1553 - -delta_H 0 # Not possible to calculate enthalpy of reaction HVO4-2 + +2 H2O + VO2+ = HVO4-2 + 3 H+ + -llnl_gamma 4 + log_k -15.1553 + -delta_H 0 # Not possible to calculate enthalpy of reaction HVO4-2 # Enthalpy of formation: -0 kcal/mol - -analytic -7.0660e+001 -5.2457e-002 -3.5380e+003 3.3534e+001 -5.5186e+001 + -analytic -7.066e+1 -5.2457e-2 -3.538e+3 3.3534e+1 -5.5186e+1 # -Range: 0-300 -5.0000 H2O + 1.0000 Hf++++ = Hf(OH)5- +5.0000 H+ - -llnl_gamma 4.0 - log_k -17.1754 - -delta_H 0 # Not possible to calculate enthalpy of reaction Hf(OH)5- +5 H2O + Hf+4 = Hf(OH)5- + 5 H+ + -llnl_gamma 4 + log_k -17.1754 + -delta_H 0 # Not possible to calculate enthalpy of reaction Hf(OH)5- # Enthalpy of formation: -0 kcal/mol - -1.0000 Hf++++ + 1.0000 H2O = HfOH+++ +1.0000 H+ - -llnl_gamma 5.0 - log_k -0.2951 - -delta_H 0 # Not possible to calculate enthalpy of reaction HfOH+3 + +Hf+4 + H2O = HfOH+3 + H+ + -llnl_gamma 5 + log_k -0.2951 + -delta_H 0 # Not possible to calculate enthalpy of reaction HfOH+3 # Enthalpy of formation: -0 kcal/mol - -2.0000 HAcetate + 1.0000 Hg++ = Hg(Acetate)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -2.6242 - -delta_H -30.334 kJ/mol # Calculated enthalpy of reaction Hg(Acetate)2 + +2 HAcetate + Hg+2 = Hg(Acetate)2 + 2 H+ + -llnl_gamma 3 + log_k -2.6242 + -delta_H -30.334 kJ/mol # Calculated enthalpy of reaction Hg(Acetate)2 # Enthalpy of formation: -198.78 kcal/mol - -analytic -2.1959e+001 2.7774e-003 -3.2500e+003 7.7351e+000 9.1508e+005 + -analytic -2.1959e+1 2.7774e-3 -3.25e+3 7.7351e+0 9.1508e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Hg++ = Hg(Acetate)3- +3.0000 H+ - -llnl_gamma 4.0 - log_k -4.3247 - -delta_H -59.7057 kJ/mol # Calculated enthalpy of reaction Hg(Acetate)3- +3 HAcetate + Hg+2 = Hg(Acetate)3- + 3 H+ + -llnl_gamma 4 + log_k -4.3247 + -delta_H -59.7057 kJ/mol # Calculated enthalpy of reaction Hg(Acetate)3- # Enthalpy of formation: -321.9 kcal/mol - -analytic 2.1656e+001 -2.0392e-003 -1.2866e+004 -3.2932e+000 2.3073e+006 + -analytic 2.1656e+1 -2.0392e-3 -1.2866e+4 -3.2932e+0 2.3073e+6 # -Range: 0-300 -1.0000 Hg++ + 1.0000 HAcetate = HgAcetate+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -0.4691 - -delta_H -16.5686 kJ/mol # Calculated enthalpy of reaction HgAcetate+ +Hg+2 + HAcetate = HgAcetate+ + H+ + -llnl_gamma 4 + log_k -0.4691 + -delta_H -16.5686 kJ/mol # Calculated enthalpy of reaction HgAcetate+ # Enthalpy of formation: -79.39 kcal/mol - -analytic -1.6355e+001 1.9446e-003 -2.6676e+002 5.1978e+000 2.9805e+005 + -analytic -1.6355e+1 1.9446e-3 -2.6676e+2 5.1978e+0 2.9805e+5 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Ho+++ = Ho(Acetate)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -4.9844 - -delta_H -28.1583 kJ/mol # Calculated enthalpy of reaction Ho(Acetate)2+ +2 HAcetate + Ho+3 = Ho(Acetate)2+ + 2 H+ + -llnl_gamma 4 + log_k -4.9844 + -delta_H -28.1583 kJ/mol # Calculated enthalpy of reaction Ho(Acetate)2+ # Enthalpy of formation: -407.93 kcal/mol - -analytic -2.7925e+001 2.5599e-003 -1.4779e+003 8.0785e+000 6.3736e+005 + -analytic -2.7925e+1 2.5599e-3 -1.4779e+3 8.0785e+0 6.3736e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Ho+++ = Ho(Acetate)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -8.3783 - -delta_H -47.5721 kJ/mol # Calculated enthalpy of reaction Ho(Acetate)3 +3 HAcetate + Ho+3 = Ho(Acetate)3 + 3 H+ + -llnl_gamma 3 + log_k -8.3783 + -delta_H -47.5721 kJ/mol # Calculated enthalpy of reaction Ho(Acetate)3 # Enthalpy of formation: -528.67 kcal/mol - -analytic -6.5547e+001 -1.1963e-004 -1.8887e+002 1.9796e+001 7.9041e+005 -# -Range: 0-300 - -2.0000 HCO3- + 1.0000 Ho+++ = Ho(CO3)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -7.3576 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ho(CO3)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Ho+++ = Ho(HPO4)2- - -llnl_gamma 4.0 - log_k +9.9000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ho(HPO4)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Ho+++ = Ho(PO4)2--- +2.0000 H+ - -llnl_gamma 4.0 - log_k -3.3437 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ho(PO4)2-3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 Ho+++ = Ho(SO4)2- - -llnl_gamma 4.0 - log_k +4.9000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ho(SO4)2- -# Enthalpy of formation: -0 kcal/mol - -1.0000 Ho+++ + 1.0000 HAcetate = HoAcetate++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -2.1184 - -delta_H -14.3093 kJ/mol # Calculated enthalpy of reaction HoAcetate+2 + -analytic -6.5547e+1 -1.1963e-4 -1.8887e+2 1.9796e+1 7.9041e+5 +# -Range: 0-300 + +2 HCO3- + Ho+3 = Ho(CO3)2- + 2 H+ + -llnl_gamma 4 + log_k -7.3576 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ho(CO3)2- +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Ho+3 = Ho(HPO4)2- + -llnl_gamma 4 + log_k 9.9 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ho(HPO4)2- +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Ho+3 = Ho(PO4)2-3 + 2 H+ + -llnl_gamma 4 + log_k -3.3437 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ho(PO4)2-3 +# Enthalpy of formation: -0 kcal/mol + +2 SO4-2 + Ho+3 = Ho(SO4)2- + -llnl_gamma 4 + log_k 4.9 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ho(SO4)2- +# Enthalpy of formation: -0 kcal/mol + +Ho+3 + HAcetate = HoAcetate+2 + H+ + -llnl_gamma 4.5 + log_k -2.1184 + -delta_H -14.3093 kJ/mol # Calculated enthalpy of reaction HoAcetate+2 # Enthalpy of formation: -288.52 kcal/mol - -analytic -1.8265e+001 1.0753e-003 -6.0695e+002 5.7211e+000 3.3055e+005 + -analytic -1.8265e+1 1.0753e-3 -6.0695e+2 5.7211e+0 3.3055e+5 # -Range: 0-300 -1.0000 Ho+++ + 1.0000 HCO3- = HoCO3+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.2591 - -delta_H 89.1108 kJ/mol # Calculated enthalpy of reaction HoCO3+ +Ho+3 + HCO3- = HoCO3+ + H+ + -llnl_gamma 4 + log_k -2.2591 + -delta_H 89.1108 kJ/mol # Calculated enthalpy of reaction HoCO3+ # Enthalpy of formation: -312.6 kcal/mol - -analytic 2.3773e+002 5.4448e-002 -6.9916e+003 -9.4063e+001 -1.0917e+002 + -analytic 2.3773e+2 5.4448e-2 -6.9916e+3 -9.4063e+1 -1.0917e+2 # -Range: 0-300 -1.0000 Ho+++ + 1.0000 Cl- = HoCl++ - -llnl_gamma 4.5 - log_k +0.2353 - -delta_H 13.9453 kJ/mol # Calculated enthalpy of reaction HoCl+2 +Ho+3 + Cl- = HoCl+2 + -llnl_gamma 4.5 + log_k 0.2353 + -delta_H 13.9453 kJ/mol # Calculated enthalpy of reaction HoCl+2 # Enthalpy of formation: -205.6 kcal/mol - -analytic 7.3746e+001 3.7733e-002 -1.5627e+003 -3.2126e+001 -2.4407e+001 + -analytic 7.3746e+1 3.7733e-2 -1.5627e+3 -3.2126e+1 -2.4407e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Ho+++ = HoCl2+ - -llnl_gamma 4.0 - log_k -0.0425 - -delta_H 17.8489 kJ/mol # Calculated enthalpy of reaction HoCl2+ +2 Cl- + Ho+3 = HoCl2+ + -llnl_gamma 4 + log_k -0.0425 + -delta_H 17.8489 kJ/mol # Calculated enthalpy of reaction HoCl2+ # Enthalpy of formation: -244.6 kcal/mol - -analytic 1.9928e+002 7.9025e-002 -4.7775e+003 -8.3582e+001 -7.4607e+001 + -analytic 1.9928e+2 7.9025e-2 -4.7775e+3 -8.3582e+1 -7.4607e+1 # -Range: 0-300 -3.0000 Cl- + 1.0000 Ho+++ = HoCl3 - -llnl_gamma 3.0 - log_k -0.4669 - -delta_H 10.0374 kJ/mol # Calculated enthalpy of reaction HoCl3 +3 Cl- + Ho+3 = HoCl3 + -llnl_gamma 3 + log_k -0.4669 + -delta_H 10.0374 kJ/mol # Calculated enthalpy of reaction HoCl3 # Enthalpy of formation: -286.4 kcal/mol - -analytic 3.8608e+002 1.2638e-001 -9.8339e+003 -1.5809e+002 -1.5356e+002 + -analytic 3.8608e+2 1.2638e-1 -9.8339e+3 -1.5809e+2 -1.5356e+2 # -Range: 0-300 -4.0000 Cl- + 1.0000 Ho+++ = HoCl4- - -llnl_gamma 4.0 - log_k -0.8913 - -delta_H -12.4181 kJ/mol # Calculated enthalpy of reaction HoCl4- +4 Cl- + Ho+3 = HoCl4- + -llnl_gamma 4 + log_k -0.8913 + -delta_H -12.4181 kJ/mol # Calculated enthalpy of reaction HoCl4- # Enthalpy of formation: -331.7 kcal/mol - -analytic 4.2179e+002 1.2576e-001 -1.0495e+004 -1.7172e+002 -1.6388e+002 + -analytic 4.2179e+2 1.2576e-1 -1.0495e+4 -1.7172e+2 -1.6388e+2 # -Range: 0-300 -1.0000 Ho+++ + 1.0000 F- = HoF++ - -llnl_gamma 4.5 - log_k +4.7352 - -delta_H 22.3844 kJ/mol # Calculated enthalpy of reaction HoF+2 +Ho+3 + F- = HoF+2 + -llnl_gamma 4.5 + log_k 4.7352 + -delta_H 22.3844 kJ/mol # Calculated enthalpy of reaction HoF+2 # Enthalpy of formation: -243.8 kcal/mol - -analytic 9.5294e+001 4.1702e-002 -2.4460e+003 -3.8296e+001 -3.8195e+001 + -analytic 9.5294e+1 4.1702e-2 -2.446e+3 -3.8296e+1 -3.8195e+1 # -Range: 0-300 -2.0000 F- + 1.0000 Ho+++ = HoF2+ - -llnl_gamma 4.0 - log_k +8.2976 - -delta_H 11.7152 kJ/mol # Calculated enthalpy of reaction HoF2+ +2 F- + Ho+3 = HoF2+ + -llnl_gamma 4 + log_k 8.2976 + -delta_H 11.7152 kJ/mol # Calculated enthalpy of reaction HoF2+ # Enthalpy of formation: -326.5 kcal/mol - -analytic 2.2330e+002 8.3497e-002 -4.9105e+003 -9.0272e+001 -7.6690e+001 + -analytic 2.233e+2 8.3497e-2 -4.9105e+3 -9.0272e+1 -7.669e+1 # -Range: 0-300 -3.0000 F- + 1.0000 Ho+++ = HoF3 - -llnl_gamma 3.0 - log_k +10.9071 - -delta_H -12.7612 kJ/mol # Calculated enthalpy of reaction HoF3 +3 F- + Ho+3 = HoF3 + -llnl_gamma 3 + log_k 10.9071 + -delta_H -12.7612 kJ/mol # Calculated enthalpy of reaction HoF3 # Enthalpy of formation: -412.5 kcal/mol - -analytic 4.1587e+002 1.3308e-001 -9.2193e+003 -1.6717e+002 -1.4398e+002 + -analytic 4.1587e+2 1.3308e-1 -9.2193e+3 -1.6717e+2 -1.4398e+2 # -Range: 0-300 -4.0000 F- + 1.0000 Ho+++ = HoF4- - -llnl_gamma 4.0 - log_k +13.0035 - -delta_H -57.7392 kJ/mol # Calculated enthalpy of reaction HoF4- +4 F- + Ho+3 = HoF4- + -llnl_gamma 4 + log_k 13.0035 + -delta_H -57.7392 kJ/mol # Calculated enthalpy of reaction HoF4- # Enthalpy of formation: -503.4 kcal/mol - -analytic 4.4575e+002 1.3182e-001 -8.5485e+003 -1.7916e+002 -1.3352e+002 + -analytic 4.4575e+2 1.3182e-1 -8.5485e+3 -1.7916e+2 -1.3352e+2 # -Range: 0-300 -1.0000 Ho+++ + 1.0000 HPO4-- + 1.0000 H+ = HoH2PO4++ - -llnl_gamma 4.5 - log_k +9.4484 - -delta_H -17.9284 kJ/mol # Calculated enthalpy of reaction HoH2PO4+2 +Ho+3 + HPO4-2 + H+ = HoH2PO4+2 + -llnl_gamma 4.5 + log_k 9.4484 + -delta_H -17.9284 kJ/mol # Calculated enthalpy of reaction HoH2PO4+2 # Enthalpy of formation: -482.1 kcal/mol - -analytic 1.0273e+002 6.3161e-002 5.5160e+002 -4.6035e+001 8.5766e+000 + -analytic 1.0273e+2 6.3161e-2 5.516e+2 -4.6035e+1 8.5766e+0 # -Range: 0-300 -1.0000 Ho+++ + 1.0000 HCO3- = HoHCO3++ - -llnl_gamma 4.5 - log_k +1.6991 - -delta_H 7.52283 kJ/mol # Calculated enthalpy of reaction HoHCO3+2 +Ho+3 + HCO3- = HoHCO3+2 + -llnl_gamma 4.5 + log_k 1.6991 + -delta_H 7.52283 kJ/mol # Calculated enthalpy of reaction HoHCO3+2 # Enthalpy of formation: -332.1 kcal/mol - -analytic 3.3420e+001 3.1394e-002 1.9804e+002 -1.6859e+001 3.0801e+000 + -analytic 3.342e+1 3.1394e-2 1.9804e+2 -1.6859e+1 3.0801e+0 # -Range: 0-300 -1.0000 Ho+++ + 1.0000 HPO4-- = HoHPO4+ - -llnl_gamma 4.0 - log_k +5.8000 - -delta_H 0 # Not possible to calculate enthalpy of reaction HoHPO4+ +Ho+3 + HPO4-2 = HoHPO4+ + -llnl_gamma 4 + log_k 5.8 + -delta_H 0 # Not possible to calculate enthalpy of reaction HoHPO4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 NO3- + 1.0000 Ho+++ = HoNO3++ - -llnl_gamma 4.5 - log_k +0.2148 - -delta_H -30.0035 kJ/mol # Calculated enthalpy of reaction HoNO3+2 + +NO3- + Ho+3 = HoNO3+2 + -llnl_gamma 4.5 + log_k 0.2148 + -delta_H -30.0035 kJ/mol # Calculated enthalpy of reaction HoNO3+2 # Enthalpy of formation: -225.6 kcal/mol - -analytic 1.1069e+001 2.5142e-002 2.3943e+003 -1.0650e+001 3.7358e+001 + -analytic 1.1069e+1 2.5142e-2 2.3943e+3 -1.065e+1 3.7358e+1 # -Range: 0-300 -1.0000 Ho+++ + 1.0000 H2O = HoO+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -16.0438 - -delta_H 108.437 kJ/mol # Calculated enthalpy of reaction HoO+ +Ho+3 + H2O = HoO+ + 2 H+ + -llnl_gamma 4 + log_k -16.0438 + -delta_H 108.437 kJ/mol # Calculated enthalpy of reaction HoO+ # Enthalpy of formation: -211.4 kcal/mol - -analytic 1.9152e+002 3.0627e-002 -1.3817e+004 -6.8846e+001 -2.1565e+002 + -analytic 1.9152e+2 3.0627e-2 -1.3817e+4 -6.8846e+1 -2.1565e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Ho+++ = HoO2- +4.0000 H+ - -llnl_gamma 4.0 - log_k -33.4804 - -delta_H 274.613 kJ/mol # Calculated enthalpy of reaction HoO2- +2 H2O + Ho+3 = HoO2- + 4 H+ + -llnl_gamma 4 + log_k -33.4804 + -delta_H 274.613 kJ/mol # Calculated enthalpy of reaction HoO2- # Enthalpy of formation: -240 kcal/mol - -analytic 1.7987e+002 1.2731e-002 -2.0007e+004 -6.0642e+001 -3.1224e+002 + -analytic 1.7987e+2 1.2731e-2 -2.0007e+4 -6.0642e+1 -3.1224e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Ho+++ = HoO2H +3.0000 H+ - -llnl_gamma 3.0 - log_k -24.5377 - -delta_H 216.873 kJ/mol # Calculated enthalpy of reaction HoO2H +2 H2O + Ho+3 = HoO2H + 3 H+ + -llnl_gamma 3 + log_k -24.5377 + -delta_H 216.873 kJ/mol # Calculated enthalpy of reaction HoO2H # Enthalpy of formation: -253.8 kcal/mol - -analytic 3.3877e+002 4.6282e-002 -2.2925e+004 -1.2133e+002 -3.5782e+002 + -analytic 3.3877e+2 4.6282e-2 -2.2925e+4 -1.2133e+2 -3.5782e+2 # -Range: 0-300 -1.0000 Ho+++ + 1.0000 H2O = HoOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -7.7609 - -delta_H 76.6383 kJ/mol # Calculated enthalpy of reaction HoOH+2 +Ho+3 + H2O = HoOH+2 + H+ + -llnl_gamma 4.5 + log_k -7.7609 + -delta_H 76.6383 kJ/mol # Calculated enthalpy of reaction HoOH+2 # Enthalpy of formation: -219 kcal/mol - -analytic 7.1326e+001 1.2657e-002 -6.2461e+003 -2.5018e+001 -9.7485e+001 + -analytic 7.1326e+1 1.2657e-2 -6.2461e+3 -2.5018e+1 -9.7485e+1 # -Range: 0-300 -1.0000 Ho+++ + 1.0000 HPO4-- = HoPO4 +1.0000 H+ - -llnl_gamma 3.0 - log_k +0.2782 - -delta_H 0 # Not possible to calculate enthalpy of reaction HoPO4 +Ho+3 + HPO4-2 = HoPO4 + H+ + -llnl_gamma 3 + log_k 0.2782 + -delta_H 0 # Not possible to calculate enthalpy of reaction HoPO4 # Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Ho+++ = HoSO4+ - -llnl_gamma 4.0 - log_k +3.5697 - -delta_H 20.5016 kJ/mol # Calculated enthalpy of reaction HoSO4+ + +SO4-2 + Ho+3 = HoSO4+ + -llnl_gamma 4 + log_k 3.5697 + -delta_H 20.5016 kJ/mol # Calculated enthalpy of reaction HoSO4+ # Enthalpy of formation: -381.5 kcal/mol - -analytic 3.0709e+002 8.6579e-002 -9.0693e+003 -1.2078e+002 -1.4161e+002 + -analytic 3.0709e+2 8.6579e-2 -9.0693e+3 -1.2078e+2 -1.4161e+2 # -Range: 0-300 -2.0000 HAcetate + 1.0000 K+ = K(Acetate)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -10.2914 - -delta_H -1.79912 kJ/mol # Calculated enthalpy of reaction K(Acetate)2- +2 HAcetate + K+ = K(Acetate)2- + 2 H+ + -llnl_gamma 4 + log_k -10.2914 + -delta_H -1.79912 kJ/mol # Calculated enthalpy of reaction K(Acetate)2- # Enthalpy of formation: -292.9 kcal/mol - -analytic -2.3036e+002 -4.6369e-002 7.0305e+003 8.4997e+001 1.0977e+002 + -analytic -2.3036e+2 -4.6369e-2 7.0305e+3 8.4997e+1 1.0977e+2 # -Range: 0-300 -1.0000 K+ + 1.0000 Br- = KBr - -llnl_gamma 3.0 - log_k -1.7372 - -delta_H 12.5102 kJ/mol # Calculated enthalpy of reaction KBr +K+ + Br- = KBr + -llnl_gamma 3 + log_k -1.7372 + -delta_H 12.5102 kJ/mol # Calculated enthalpy of reaction KBr # Enthalpy of formation: -86.32 kcal/mol - -analytic 1.1320e+002 3.4227e-002 -3.6401e+003 -4.5633e+001 -5.6833e+001 + -analytic 1.132e+2 3.4227e-2 -3.6401e+3 -4.5633e+1 -5.6833e+1 # -Range: 0-300 -1.0000 K+ + 1.0000 HAcetate = KAcetate +1.0000 H+ - -llnl_gamma 3.0 - log_k -5.0211 - -delta_H 4.8116 kJ/mol # Calculated enthalpy of reaction KAcetate +K+ + HAcetate = KAcetate + H+ + -llnl_gamma 3 + log_k -5.0211 + -delta_H 4.8116 kJ/mol # Calculated enthalpy of reaction KAcetate # Enthalpy of formation: -175.22 kcal/mol - -analytic -2.6676e-001 -3.2675e-003 -1.7143e+003 -7.1907e-003 1.7726e+005 + -analytic -2.6676e-1 -3.2675e-3 -1.7143e+3 -7.1907e-3 1.7726e+5 # -Range: 0-300 -1.0000 K+ + 1.0000 Cl- = KCl - -llnl_gamma 3.0 - log_k -1.4946 - -delta_H 14.1963 kJ/mol # Calculated enthalpy of reaction KCl +K+ + Cl- = KCl + -llnl_gamma 3 + log_k -1.4946 + -delta_H 14.1963 kJ/mol # Calculated enthalpy of reaction KCl # Enthalpy of formation: -96.81 kcal/mol - -analytic 1.3650e+002 3.8405e-002 -4.4014e+003 -5.4421e+001 -6.8721e+001 + -analytic 1.365e+2 3.8405e-2 -4.4014e+3 -5.4421e+1 -6.8721e+1 # -Range: 0-300 -1.0000 K+ + 1.0000 HPO4-- = KHPO4- - -llnl_gamma 4.0 - log_k +0.7800 - -delta_H 0 # Not possible to calculate enthalpy of reaction KHPO4- +K+ + HPO4-2 = KHPO4- + -llnl_gamma 4 + log_k 0.78 + -delta_H 0 # Not possible to calculate enthalpy of reaction KHPO4- # Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 K+ + 1.0000 H+ = KHSO4 - -llnl_gamma 3.0 - log_k +0.8136 - -delta_H 29.8319 kJ/mol # Calculated enthalpy of reaction KHSO4 + +SO4-2 + K+ + H+ = KHSO4 + -llnl_gamma 3 + log_k 0.8136 + -delta_H 29.8319 kJ/mol # Calculated enthalpy of reaction KHSO4 # Enthalpy of formation: -270.54 kcal/mol - -analytic 1.2620e+002 5.7349e-002 -3.3670e+003 -5.3003e+001 -5.2576e+001 + -analytic 1.262e+2 5.7349e-2 -3.367e+3 -5.3003e+1 -5.2576e+1 # -Range: 0-300 -1.0000 K+ + 1.0000 I- = KI - -llnl_gamma 3.0 - log_k -1.598 - -delta_H 9.16296 kJ/mol # Calculated enthalpy of reaction KI +K+ + I- = KI + -llnl_gamma 3 + log_k -1.598 + -delta_H 9.16296 kJ/mol # Calculated enthalpy of reaction KI # Enthalpy of formation: -71.68 kcal/mol - -analytic 1.0816e+002 3.3683e-002 -3.2143e+003 -4.4054e+001 -5.0187e+001 + -analytic 1.0816e+2 3.3683e-2 -3.2143e+3 -4.4054e+1 -5.0187e+1 # -Range: 0-300 -1.0000 K+ + 1.0000 H2O = KOH +1.0000 H+ - -llnl_gamma 3.0 - log_k -14.46 - -delta_H 0 # Not possible to calculate enthalpy of reaction KOH +K+ + H2O = KOH + H+ + -llnl_gamma 3 + log_k -14.46 + -delta_H 0 # Not possible to calculate enthalpy of reaction KOH # Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 K+ = KP2O7--- +1.0000 H2O - -llnl_gamma 4.0 - log_k -1.4286 - -delta_H 34.1393 kJ/mol # Calculated enthalpy of reaction KP2O7-3 + +2 HPO4-2 + K+ = KP2O7-3 + H2O + -llnl_gamma 4 + log_k -1.4286 + -delta_H 34.1393 kJ/mol # Calculated enthalpy of reaction KP2O7-3 # Enthalpy of formation: -2516.36 kJ/mol - -analytic 4.1930e+002 1.4676e-001 -1.1169e+004 -1.7255e+002 -1.7441e+002 + -analytic 4.193e+2 1.4676e-1 -1.1169e+4 -1.7255e+2 -1.7441e+2 # -Range: 0-300 -1.0000 SO4-- + 1.0000 K+ = KSO4- - -llnl_gamma 4.0 - log_k +0.8796 - -delta_H 2.88696 kJ/mol # Calculated enthalpy of reaction KSO4- +SO4-2 + K+ = KSO4- + -llnl_gamma 4 + log_k 0.8796 + -delta_H 2.88696 kJ/mol # Calculated enthalpy of reaction KSO4- # Enthalpy of formation: -276.98 kcal/mol - -analytic 9.9073e+001 3.7817e-002 -2.1628e+003 -4.1297e+001 -3.3779e+001 + -analytic 9.9073e+1 3.7817e-2 -2.1628e+3 -4.1297e+1 -3.3779e+1 # -Range: 0-300 -2.0000 HAcetate + 1.0000 La+++ = La(Acetate)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -5.3949 - -delta_H -23.1375 kJ/mol # Calculated enthalpy of reaction La(Acetate)2+ +2 HAcetate + La+3 = La(Acetate)2+ + 2 H+ + -llnl_gamma 4 + log_k -5.3949 + -delta_H -23.1375 kJ/mol # Calculated enthalpy of reaction La(Acetate)2+ # Enthalpy of formation: -407.33 kcal/mol - -analytic -1.2805e+001 2.8482e-003 -2.2521e+003 2.9108e+000 6.1659e+005 + -analytic -1.2805e+1 2.8482e-3 -2.2521e+3 2.9108e+0 6.1659e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 La+++ = La(Acetate)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -8.5982 - -delta_H -41.9237 kJ/mol # Calculated enthalpy of reaction La(Acetate)3 +3 HAcetate + La+3 = La(Acetate)3 + 3 H+ + -llnl_gamma 3 + log_k -8.5982 + -delta_H -41.9237 kJ/mol # Calculated enthalpy of reaction La(Acetate)3 # Enthalpy of formation: -527.92 kcal/mol - -analytic -3.3456e+001 1.2371e-003 -1.5978e+003 8.6343e+000 7.5717e+005 -# -Range: 0-300 - -2.0000 HCO3- + 1.0000 La+++ = La(CO3)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -8.8576 - -delta_H 0 # Not possible to calculate enthalpy of reaction La(CO3)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 La+++ = La(HPO4)2- - -llnl_gamma 4.0 - log_k +8.4000 - -delta_H 0 # Not possible to calculate enthalpy of reaction La(HPO4)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 La+++ = La(PO4)2--- +2.0000 H+ - -llnl_gamma 4.0 - log_k -7.0437 - -delta_H 0 # Not possible to calculate enthalpy of reaction La(PO4)2-3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 La+++ = La(SO4)2- - -llnl_gamma 4.0 - log_k +5.1000 - -delta_H 0 # Not possible to calculate enthalpy of reaction La(SO4)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 La+++ + 2.0000 H2O = La2(OH)2++++ +2.0000 H+ - -llnl_gamma 5.5 - log_k -22.9902 - -delta_H 0 # Not possible to calculate enthalpy of reaction La2(OH)2+4 -# Enthalpy of formation: -0 kcal/mol - -9.0000 H2O + 5.0000 La+++ = La5(OH)9+6 +9.0000 H+ - -llnl_gamma 6.0 - log_k -71.1557 - -delta_H 0 # Not possible to calculate enthalpy of reaction La5(OH)9+6 -# Enthalpy of formation: -0 kcal/mol - -1.0000 La+++ + 1.0000 HAcetate = LaAcetate++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -2.2063 - -delta_H -12.5938 kJ/mol # Calculated enthalpy of reaction LaAcetate+2 + -analytic -3.3456e+1 1.2371e-3 -1.5978e+3 8.6343e+0 7.5717e+5 +# -Range: 0-300 + +2 HCO3- + La+3 = La(CO3)2- + 2 H+ + -llnl_gamma 4 + log_k -8.8576 + -delta_H 0 # Not possible to calculate enthalpy of reaction La(CO3)2- +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + La+3 = La(HPO4)2- + -llnl_gamma 4 + log_k 8.4 + -delta_H 0 # Not possible to calculate enthalpy of reaction La(HPO4)2- +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + La+3 = La(PO4)2-3 + 2 H+ + -llnl_gamma 4 + log_k -7.0437 + -delta_H 0 # Not possible to calculate enthalpy of reaction La(PO4)2-3 +# Enthalpy of formation: -0 kcal/mol + +2 SO4-2 + La+3 = La(SO4)2- + -llnl_gamma 4 + log_k 5.1 + -delta_H 0 # Not possible to calculate enthalpy of reaction La(SO4)2- +# Enthalpy of formation: -0 kcal/mol + +2 La+3 + 2 H2O = La2(OH)2+4 + 2 H+ + -llnl_gamma 5.5 + log_k -22.9902 + -delta_H 0 # Not possible to calculate enthalpy of reaction La2(OH)2+4 +# Enthalpy of formation: -0 kcal/mol + +9 H2O + 5 La+3 = La5(OH)9+6 + 9 H+ + -llnl_gamma 6 + log_k -71.1557 + -delta_H 0 # Not possible to calculate enthalpy of reaction La5(OH)9+6 +# Enthalpy of formation: -0 kcal/mol + +La+3 + HAcetate = LaAcetate+2 + H+ + -llnl_gamma 4.5 + log_k -2.2063 + -delta_H -12.5938 kJ/mol # Calculated enthalpy of reaction LaAcetate+2 # Enthalpy of formation: -288.71 kcal/mol - -analytic -1.0803e+001 8.5239e-004 -1.1143e+003 3.3273e+000 3.4305e+005 + -analytic -1.0803e+1 8.5239e-4 -1.1143e+3 3.3273e+0 3.4305e+5 # -Range: 0-300 -1.0000 La+++ + 1.0000 HCO3- = LaCO3+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -3.212 - -delta_H 89.5292 kJ/mol # Calculated enthalpy of reaction LaCO3+ +La+3 + HCO3- = LaCO3+ + H+ + -llnl_gamma 4 + log_k -3.212 + -delta_H 89.5292 kJ/mol # Calculated enthalpy of reaction LaCO3+ # Enthalpy of formation: -313.1 kcal/mol - -analytic 2.3046e+002 5.2419e-002 -7.1063e+003 -9.1109e+001 -1.1095e+002 + -analytic 2.3046e+2 5.2419e-2 -7.1063e+3 -9.1109e+1 -1.1095e+2 # -Range: 0-300 -1.0000 La+++ + 1.0000 Cl- = LaCl++ - -llnl_gamma 4.5 - log_k +0.3086 - -delta_H 14.3637 kJ/mol # Calculated enthalpy of reaction LaCl+2 +La+3 + Cl- = LaCl+2 + -llnl_gamma 4.5 + log_k 0.3086 + -delta_H 14.3637 kJ/mol # Calculated enthalpy of reaction LaCl+2 # Enthalpy of formation: -206.1 kcal/mol - -analytic 7.5802e+001 3.6641e-002 -1.7234e+003 -3.2578e+001 -2.6914e+001 + -analytic 7.5802e+1 3.6641e-2 -1.7234e+3 -3.2578e+1 -2.6914e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 La+++ = LaCl2+ - -llnl_gamma 4.0 - log_k -0.0425 - -delta_H 19.1041 kJ/mol # Calculated enthalpy of reaction LaCl2+ +2 Cl- + La+3 = LaCl2+ + -llnl_gamma 4 + log_k -0.0425 + -delta_H 19.1041 kJ/mol # Calculated enthalpy of reaction LaCl2+ # Enthalpy of formation: -244.9 kcal/mol - -analytic 2.1632e+002 7.9274e-002 -5.5883e+003 -8.9400e+001 -8.7264e+001 + -analytic 2.1632e+2 7.9274e-2 -5.5883e+3 -8.94e+1 -8.7264e+1 # -Range: 0-300 -3.0000 Cl- + 1.0000 La+++ = LaCl3 - -llnl_gamma 3.0 - log_k -0.3936 - -delta_H 12.5478 kJ/mol # Calculated enthalpy of reaction LaCl3 +3 Cl- + La+3 = LaCl3 + -llnl_gamma 3 + log_k -0.3936 + -delta_H 12.5478 kJ/mol # Calculated enthalpy of reaction LaCl3 # Enthalpy of formation: -286.4 kcal/mol - -analytic 4.2210e+002 1.2792e-001 -1.1444e+004 -1.7062e+002 -1.7869e+002 + -analytic 4.221e+2 1.2792e-1 -1.1444e+4 -1.7062e+2 -1.7869e+2 # -Range: 0-300 -4.0000 Cl- + 1.0000 La+++ = LaCl4- - -llnl_gamma 4.0 - log_k -0.818 - -delta_H -7.81571 kJ/mol # Calculated enthalpy of reaction LaCl4- +4 Cl- + La+3 = LaCl4- + -llnl_gamma 4 + log_k -0.818 + -delta_H -7.81571 kJ/mol # Calculated enthalpy of reaction LaCl4- # Enthalpy of formation: -331.2 kcal/mol - -analytic 4.8802e+002 1.3053e-001 -1.3344e+004 -1.9518e+002 -2.0836e+002 + -analytic 4.8802e+2 1.3053e-1 -1.3344e+4 -1.9518e+2 -2.0836e+2 # -Range: 0-300 -1.0000 La+++ + 1.0000 F- = LaF++ - -llnl_gamma 4.5 - log_k +3.8556 - -delta_H 26.5684 kJ/mol # Calculated enthalpy of reaction LaF+2 +La+3 + F- = LaF+2 + -llnl_gamma 4.5 + log_k 3.8556 + -delta_H 26.5684 kJ/mol # Calculated enthalpy of reaction LaF+2 # Enthalpy of formation: -243.4 kcal/mol - -analytic 9.6765e+001 4.0513e-002 -2.8042e+003 -3.8617e+001 -4.3785e+001 + -analytic 9.6765e+1 4.0513e-2 -2.8042e+3 -3.8617e+1 -4.3785e+1 # -Range: 0-300 -2.0000 F- + 1.0000 La+++ = LaF2+ - -llnl_gamma 4.0 - log_k +6.6850 - -delta_H 19.6648 kJ/mol # Calculated enthalpy of reaction LaF2+ +2 F- + La+3 = LaF2+ + -llnl_gamma 4 + log_k 6.685 + -delta_H 19.6648 kJ/mol # Calculated enthalpy of reaction LaF2+ # Enthalpy of formation: -325.2 kcal/mol - -analytic 2.3923e+002 8.3559e-002 -6.0536e+003 -9.5821e+001 -9.4531e+001 + -analytic 2.3923e+2 8.3559e-2 -6.0536e+3 -9.5821e+1 -9.4531e+1 # -Range: 0-300 -3.0000 F- + 1.0000 La+++ = LaF3 - -llnl_gamma 3.0 - log_k +8.7081 - -delta_H -0.6276 kJ/mol # Calculated enthalpy of reaction LaF3 +3 F- + La+3 = LaF3 + -llnl_gamma 3 + log_k 8.7081 + -delta_H -0.6276 kJ/mol # Calculated enthalpy of reaction LaF3 # Enthalpy of formation: -410.2 kcal/mol - -analytic 4.5123e+002 1.3460e-001 -1.1334e+004 -1.7967e+002 -1.7699e+002 + -analytic 4.5123e+2 1.346e-1 -1.1334e+4 -1.7967e+2 -1.7699e+2 # -Range: 0-300 -4.0000 F- + 1.0000 La+++ = LaF4- - -llnl_gamma 4.0 - log_k +10.3647 - -delta_H -41.4216 kJ/mol # Calculated enthalpy of reaction LaF4- +4 F- + La+3 = LaF4- + -llnl_gamma 4 + log_k 10.3647 + -delta_H -41.4216 kJ/mol # Calculated enthalpy of reaction LaF4- # Enthalpy of formation: -500.1 kcal/mol - -analytic 5.0747e+002 1.3563e-001 -1.1903e+004 -2.0108e+002 -1.8588e+002 + -analytic 5.0747e+2 1.3563e-1 -1.1903e+4 -2.0108e+2 -1.8588e+2 # -Range: 0-300 -1.0000 La+++ + 1.0000 HPO4-- + 1.0000 H+ = LaH2PO4++ - -llnl_gamma 4.5 - log_k +9.7417 - -delta_H -18.3468 kJ/mol # Calculated enthalpy of reaction LaH2PO4+2 +La+3 + HPO4-2 + H+ = LaH2PO4+2 + -llnl_gamma 4.5 + log_k 9.7417 + -delta_H -18.3468 kJ/mol # Calculated enthalpy of reaction LaH2PO4+2 # Enthalpy of formation: -482.8 kcal/mol - -analytic 1.0530e+002 6.2177e-002 4.0686e+002 -4.6642e+001 6.3174e+000 + -analytic 1.053e+2 6.2177e-2 4.0686e+2 -4.6642e+1 6.3174e+0 # -Range: 0-300 -1.0000 La+++ + 1.0000 HCO3- = LaHCO3++ - -llnl_gamma 4.5 - log_k +1.9923 - -delta_H 6.68603 kJ/mol # Calculated enthalpy of reaction LaHCO3+2 +La+3 + HCO3- = LaHCO3+2 + -llnl_gamma 4.5 + log_k 1.9923 + -delta_H 6.68603 kJ/mol # Calculated enthalpy of reaction LaHCO3+2 # Enthalpy of formation: -332.9 kcal/mol - -analytic 3.6032e+001 3.0405e-002 5.1281e+001 -1.7478e+001 7.8933e-001 + -analytic 3.6032e+1 3.0405e-2 5.1281e+1 -1.7478e+1 7.8933e-1 # -Range: 0-300 -1.0000 La+++ + 1.0000 HPO4-- = LaHPO4+ - -llnl_gamma 4.0 - log_k +5.1000 - -delta_H 0 # Not possible to calculate enthalpy of reaction LaHPO4+ +La+3 + HPO4-2 = LaHPO4+ + -llnl_gamma 4 + log_k 5.1 + -delta_H 0 # Not possible to calculate enthalpy of reaction LaHPO4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 NO3- + 1.0000 La+++ = LaNO3++ - -llnl_gamma 4.5 - log_k +0.5813 - -delta_H -29.1667 kJ/mol # Calculated enthalpy of reaction LaNO3+2 + +NO3- + La+3 = LaNO3+2 + -llnl_gamma 4.5 + log_k 0.5813 + -delta_H -29.1667 kJ/mol # Calculated enthalpy of reaction LaNO3+2 # Enthalpy of formation: -226 kcal/mol - -analytic 1.4136e+001 2.4247e-002 2.1998e+003 -1.1371e+001 3.4322e+001 + -analytic 1.4136e+1 2.4247e-2 2.1998e+3 -1.1371e+1 3.4322e+1 # -Range: 0-300 -1.0000 La+++ + 1.0000 H2O = LaO+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -18.1696 - -delta_H 121.407 kJ/mol # Calculated enthalpy of reaction LaO+ +La+3 + H2O = LaO+ + 2 H+ + -llnl_gamma 4 + log_k -18.1696 + -delta_H 121.407 kJ/mol # Calculated enthalpy of reaction LaO+ # Enthalpy of formation: -208.9 kcal/mol - -analytic 1.8691e+002 2.9275e-002 -1.4385e+004 -6.6906e+001 -2.2452e+002 + -analytic 1.8691e+2 2.9275e-2 -1.4385e+4 -6.6906e+1 -2.2452e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 La+++ = LaO2- +4.0000 H+ - -llnl_gamma 4.0 - log_k -40.8105 - -delta_H 318.126 kJ/mol # Calculated enthalpy of reaction LaO2- +2 H2O + La+3 = LaO2- + 4 H+ + -llnl_gamma 4 + log_k -40.8105 + -delta_H 318.126 kJ/mol # Calculated enthalpy of reaction LaO2- # Enthalpy of formation: -230.2 kcal/mol - -analytic 1.8374e+002 1.2355e-002 -2.2472e+004 -6.1779e+001 -3.5070e+002 + -analytic 1.8374e+2 1.2355e-2 -2.2472e+4 -6.1779e+1 -3.507e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 La+++ = LaO2H +3.0000 H+ - -llnl_gamma 3.0 - log_k -27.9095 - -delta_H 237.375 kJ/mol # Calculated enthalpy of reaction LaO2H +2 H2O + La+3 = LaO2H + 3 H+ + -llnl_gamma 3 + log_k -27.9095 + -delta_H 237.375 kJ/mol # Calculated enthalpy of reaction LaO2H # Enthalpy of formation: -249.5 kcal/mol - -analytic 3.3862e+002 4.4808e-002 -2.4083e+004 -1.2088e+002 -3.7589e+002 + -analytic 3.3862e+2 4.4808e-2 -2.4083e+4 -1.2088e+2 -3.7589e+2 # -Range: 0-300 -1.0000 La+++ + 1.0000 H2O = LaOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -8.6405 - -delta_H 82.4959 kJ/mol # Calculated enthalpy of reaction LaOH+2 +La+3 + H2O = LaOH+2 + H+ + -llnl_gamma 4.5 + log_k -8.6405 + -delta_H 82.4959 kJ/mol # Calculated enthalpy of reaction LaOH+2 # Enthalpy of formation: -218.2 kcal/mol - -analytic 6.5529e+001 1.1104e-002 -6.3920e+003 -2.2646e+001 -9.9760e+001 + -analytic 6.5529e+1 1.1104e-2 -6.392e+3 -2.2646e+1 -9.976e+1 # -Range: 0-300 -1.0000 La+++ + 1.0000 HPO4-- = LaPO4 +1.0000 H+ - -llnl_gamma 3.0 - log_k -1.3618 - -delta_H 0 # Not possible to calculate enthalpy of reaction LaPO4 +La+3 + HPO4-2 = LaPO4 + H+ + -llnl_gamma 3 + log_k -1.3618 + -delta_H 0 # Not possible to calculate enthalpy of reaction LaPO4 # Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 La+++ = LaSO4+ - -llnl_gamma 4.0 - log_k +3.6430 - -delta_H 18.4096 kJ/mol # Calculated enthalpy of reaction LaSO4+ + +SO4-2 + La+3 = LaSO4+ + -llnl_gamma 4 + log_k 3.643 + -delta_H 18.4096 kJ/mol # Calculated enthalpy of reaction LaSO4+ # Enthalpy of formation: -382.6 kcal/mol - -analytic 3.0657e+002 8.4093e-002 -9.1074e+003 -1.2019e+002 -1.4220e+002 + -analytic 3.0657e+2 8.4093e-2 -9.1074e+3 -1.2019e+2 -1.422e+2 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Li+ = Li(Acetate)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -9.2674 - -delta_H -24.7609 kJ/mol # Calculated enthalpy of reaction Li(Acetate)2- +2 HAcetate + Li+ = Li(Acetate)2- + 2 H+ + -llnl_gamma 4 + log_k -9.2674 + -delta_H -24.7609 kJ/mol # Calculated enthalpy of reaction Li(Acetate)2- # Enthalpy of formation: -304.67 kcal/mol - -analytic -3.3702e+002 -6.0849e-002 1.1952e+004 1.2359e+002 1.8659e+002 + -analytic -3.3702e+2 -6.0849e-2 1.1952e+4 1.2359e+2 1.8659e+2 # -Range: 0-300 -1.0000 Li+ + 1.0000 HAcetate = LiAcetate +1.0000 H+ - -llnl_gamma 3.0 - log_k -4.4589 - -delta_H -6.64419 kJ/mol # Calculated enthalpy of reaction LiAcetate +Li+ + HAcetate = LiAcetate + H+ + -llnl_gamma 3 + log_k -4.4589 + -delta_H -6.64419 kJ/mol # Calculated enthalpy of reaction LiAcetate # Enthalpy of formation: -184.24 kcal/mol - -analytic -3.8391e+000 -7.3938e-004 -1.0829e+003 3.4134e-001 2.1318e+005 + -analytic -3.8391e+0 -7.3938e-4 -1.0829e+3 3.4134e-1 2.1318e+5 # -Range: 0-300 -1.0000 Li+ + 1.0000 Cl- = LiCl - -llnl_gamma 3.0 - log_k -1.5115 - -delta_H 3.36812 kJ/mol # Calculated enthalpy of reaction LiCl +Li+ + Cl- = LiCl + -llnl_gamma 3 + log_k -1.5115 + -delta_H 3.36812 kJ/mol # Calculated enthalpy of reaction LiCl # Enthalpy of formation: -105.68 kcal/mol - -analytic 1.2484e+002 4.1941e-002 -3.2439e+003 -5.1708e+001 -5.0655e+001 + -analytic 1.2484e+2 4.1941e-2 -3.2439e+3 -5.1708e+1 -5.0655e+1 # -Range: 0-300 -1.0000 Li+ + 1.0000 H2O = LiOH +1.0000 H+ - -llnl_gamma 3.0 - log_k -13.64 - -delta_H 0 # Not possible to calculate enthalpy of reaction LiOH +Li+ + H2O = LiOH + H+ + -llnl_gamma 3 + log_k -13.64 + -delta_H 0 # Not possible to calculate enthalpy of reaction LiOH # Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Li+ = LiSO4- - -llnl_gamma 4.0 - log_k +0.7700 - -delta_H 0 # Not possible to calculate enthalpy of reaction LiSO4- + +SO4-2 + Li+ = LiSO4- + -llnl_gamma 4 + log_k 0.77 + -delta_H 0 # Not possible to calculate enthalpy of reaction LiSO4- # Enthalpy of formation: -0 kcal/mol - -2.0000 HAcetate + 1.0000 Lu+++ = Lu(Acetate)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -4.9625 - -delta_H -38.5346 kJ/mol # Calculated enthalpy of reaction Lu(Acetate)2+ + +2 HAcetate + Lu+3 = Lu(Acetate)2+ + 2 H+ + -llnl_gamma 4 + log_k -4.9625 + -delta_H -38.5346 kJ/mol # Calculated enthalpy of reaction Lu(Acetate)2+ # Enthalpy of formation: -409.31 kcal/mol - -analytic -2.7341e+001 2.5097e-003 -1.4157e+003 7.5026e+000 6.9682e+005 + -analytic -2.7341e+1 2.5097e-3 -1.4157e+3 7.5026e+0 6.9682e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Lu+++ = Lu(Acetate)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -8.3489 - -delta_H -64.5173 kJ/mol # Calculated enthalpy of reaction Lu(Acetate)3 +3 HAcetate + Lu+3 = Lu(Acetate)3 + 3 H+ + -llnl_gamma 3 + log_k -8.3489 + -delta_H -64.5173 kJ/mol # Calculated enthalpy of reaction Lu(Acetate)3 # Enthalpy of formation: -531.62 kcal/mol - -analytic -5.0225e+001 3.3508e-003 -6.2901e+002 1.3262e+001 9.0737e+005 -# -Range: 0-300 - -2.0000 HCO3- + 1.0000 Lu+++ = Lu(CO3)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -6.8576 - -delta_H 0 # Not possible to calculate enthalpy of reaction Lu(CO3)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Lu+++ = Lu(HPO4)2- - -llnl_gamma 4.0 - log_k +10.3000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Lu(HPO4)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Lu+++ = Lu(PO4)2--- +2.0000 H+ - -llnl_gamma 4.0 - log_k -2.7437 - -delta_H 0 # Not possible to calculate enthalpy of reaction Lu(PO4)2-3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 Lu+++ = Lu(SO4)2- - -llnl_gamma 4.0 - log_k +5.3000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Lu(SO4)2- -# Enthalpy of formation: -0 kcal/mol - -1.0000 Lu+++ + 1.0000 HAcetate = LuAcetate++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -2.1037 - -delta_H -18.9703 kJ/mol # Calculated enthalpy of reaction LuAcetate+2 + -analytic -5.0225e+1 3.3508e-3 -6.2901e+2 1.3262e+1 9.0737e+5 +# -Range: 0-300 + +2 HCO3- + Lu+3 = Lu(CO3)2- + 2 H+ + -llnl_gamma 4 + log_k -6.8576 + -delta_H 0 # Not possible to calculate enthalpy of reaction Lu(CO3)2- +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Lu+3 = Lu(HPO4)2- + -llnl_gamma 4 + log_k 10.3 + -delta_H 0 # Not possible to calculate enthalpy of reaction Lu(HPO4)2- +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Lu+3 = Lu(PO4)2-3 + 2 H+ + -llnl_gamma 4 + log_k -2.7437 + -delta_H 0 # Not possible to calculate enthalpy of reaction Lu(PO4)2-3 +# Enthalpy of formation: -0 kcal/mol + +2 SO4-2 + Lu+3 = Lu(SO4)2- + -llnl_gamma 4 + log_k 5.3 + -delta_H 0 # Not possible to calculate enthalpy of reaction Lu(SO4)2- +# Enthalpy of formation: -0 kcal/mol + +Lu+3 + HAcetate = LuAcetate+2 + H+ + -llnl_gamma 4.5 + log_k -2.1037 + -delta_H -18.9703 kJ/mol # Calculated enthalpy of reaction LuAcetate+2 # Enthalpy of formation: -288.534 kcal/mol - -analytic -6.5982e+000 2.4512e-003 -1.2666e+003 1.4226e+000 4.0045e+005 + -analytic -6.5982e+0 2.4512e-3 -1.2666e+3 1.4226e+0 4.0045e+5 # -Range: 0-300 -1.0000 Lu+++ + 1.0000 HCO3- = LuCO3+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.0392 - -delta_H 78.2324 kJ/mol # Calculated enthalpy of reaction LuCO3+ +Lu+3 + HCO3- = LuCO3+ + H+ + -llnl_gamma 4 + log_k -2.0392 + -delta_H 78.2324 kJ/mol # Calculated enthalpy of reaction LuCO3+ # Enthalpy of formation: -314.1 kcal/mol - -analytic 2.3840e+002 5.4774e-002 -6.8317e+003 -9.4500e+001 -1.0667e+002 + -analytic 2.384e+2 5.4774e-2 -6.8317e+3 -9.45e+1 -1.0667e+2 # -Range: 0-300 -1.0000 Lu+++ + 1.0000 Cl- = LuCl++ - -llnl_gamma 4.5 - log_k -0.0579 - -delta_H 13.5269 kJ/mol # Calculated enthalpy of reaction LuCl+2 +Lu+3 + Cl- = LuCl+2 + -llnl_gamma 4.5 + log_k -0.0579 + -delta_H 13.5269 kJ/mol # Calculated enthalpy of reaction LuCl+2 # Enthalpy of formation: -204.6 kcal/mol - -analytic 6.6161e+001 3.6521e-002 -1.2938e+003 -2.9397e+001 -2.0209e+001 + -analytic 6.6161e+1 3.6521e-2 -1.2938e+3 -2.9397e+1 -2.0209e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Lu+++ = LuCl2+ - -llnl_gamma 4.0 - log_k -0.6289 - -delta_H 15.7569 kJ/mol # Calculated enthalpy of reaction LuCl2+ +2 Cl- + Lu+3 = LuCl2+ + -llnl_gamma 4 + log_k -0.6289 + -delta_H 15.7569 kJ/mol # Calculated enthalpy of reaction LuCl2+ # Enthalpy of formation: -244 kcal/mol - -analytic 1.8608e+002 7.7283e-002 -4.2349e+003 -7.9007e+001 -6.6137e+001 + -analytic 1.8608e+2 7.7283e-2 -4.2349e+3 -7.9007e+1 -6.6137e+1 # -Range: 0-300 -3.0000 Cl- + 1.0000 Lu+++ = LuCl3 - -llnl_gamma 3.0 - log_k -1.1999 - -delta_H 3.56895 kJ/mol # Calculated enthalpy of reaction LuCl3 +3 Cl- + Lu+3 = LuCl3 + -llnl_gamma 3 + log_k -1.1999 + -delta_H 3.56895 kJ/mol # Calculated enthalpy of reaction LuCl3 # Enthalpy of formation: -286.846 kcal/mol - -analytic 3.7060e+002 1.2564e-001 -8.9374e+003 -1.5325e+002 -1.3957e+002 + -analytic 3.706e+2 1.2564e-1 -8.9374e+3 -1.5325e+2 -1.3957e+2 # -Range: 0-300 -4.0000 Cl- + 1.0000 Lu+++ = LuCl4- - -llnl_gamma 4.0 - log_k -1.771 - -delta_H -25.8069 kJ/mol # Calculated enthalpy of reaction LuCl4- +4 Cl- + Lu+3 = LuCl4- + -llnl_gamma 4 + log_k -1.771 + -delta_H -25.8069 kJ/mol # Calculated enthalpy of reaction LuCl4- # Enthalpy of formation: -333.8 kcal/mol - -analytic 3.8876e+002 1.2200e-001 -8.6965e+003 -1.6071e+002 -1.3582e+002 + -analytic 3.8876e+2 1.22e-1 -8.6965e+3 -1.6071e+2 -1.3582e+2 # -Range: 0-300 -1.0000 Lu+++ + 1.0000 F- = LuF++ - -llnl_gamma 4.5 - log_k +4.8085 - -delta_H 25.7316 kJ/mol # Calculated enthalpy of reaction LuF+2 +Lu+3 + F- = LuF+2 + -llnl_gamma 4.5 + log_k 4.8085 + -delta_H 25.7316 kJ/mol # Calculated enthalpy of reaction LuF+2 # Enthalpy of formation: -241.9 kcal/mol - -analytic 9.0303e+001 4.0963e-002 -2.4140e+003 -3.6203e+001 -3.7694e+001 + -analytic 9.0303e+1 4.0963e-2 -2.414e+3 -3.6203e+1 -3.7694e+1 # -Range: 0-300 -2.0000 F- + 1.0000 Lu+++ = LuF2+ - -llnl_gamma 4.0 - log_k +8.4442 - -delta_H 14.2256 kJ/mol # Calculated enthalpy of reaction LuF2+ +2 F- + Lu+3 = LuF2+ + -llnl_gamma 4 + log_k 8.4442 + -delta_H 14.2256 kJ/mol # Calculated enthalpy of reaction LuF2+ # Enthalpy of formation: -324.8 kcal/mol - -analytic 2.1440e+002 8.2559e-002 -4.7009e+003 -8.6790e+001 -7.3417e+001 + -analytic 2.144e+2 8.2559e-2 -4.7009e+3 -8.679e+1 -7.3417e+1 # -Range: 0-300 -3.0000 F- + 1.0000 Lu+++ = LuF3 - -llnl_gamma 3.0 - log_k +11.0999 - -delta_H -12.3428 kJ/mol # Calculated enthalpy of reaction LuF3 +3 F- + Lu+3 = LuF3 + -llnl_gamma 3 + log_k 11.0999 + -delta_H -12.3428 kJ/mol # Calculated enthalpy of reaction LuF3 # Enthalpy of formation: -411.3 kcal/mol - -analytic 4.0247e+002 1.3233e-001 -8.6775e+003 -1.6232e+002 -1.3552e+002 + -analytic 4.0247e+2 1.3233e-1 -8.6775e+3 -1.6232e+2 -1.3552e+2 # -Range: 0-300 -4.0000 F- + 1.0000 Lu+++ = LuF4- - -llnl_gamma 4.0 - log_k +13.2967 - -delta_H -64.0152 kJ/mol # Calculated enthalpy of reaction LuF4- +4 F- + Lu+3 = LuF4- + -llnl_gamma 4 + log_k 13.2967 + -delta_H -64.0152 kJ/mol # Calculated enthalpy of reaction LuF4- # Enthalpy of formation: -503.8 kcal/mol - -analytic 4.2541e+002 1.3070e-001 -7.4276e+003 -1.7220e+002 -1.1603e+002 + -analytic 4.2541e+2 1.307e-1 -7.4276e+3 -1.722e+2 -1.1603e+2 # -Range: 0-300 -1.0000 Lu+++ + 1.0000 HPO4-- + 1.0000 H+ = LuH2PO4++ - -llnl_gamma 4.5 - log_k +9.5950 - -delta_H -23.786 kJ/mol # Calculated enthalpy of reaction LuH2PO4+2 +Lu+3 + HPO4-2 + H+ = LuH2PO4+2 + -llnl_gamma 4.5 + log_k 9.595 + -delta_H -23.786 kJ/mol # Calculated enthalpy of reaction LuH2PO4+2 # Enthalpy of formation: -482.4 kcal/mol - -analytic 9.4223e+001 6.1797e-002 1.1102e+003 -4.3131e+001 1.7296e+001 + -analytic 9.4223e+1 6.1797e-2 1.1102e+3 -4.3131e+1 1.7296e+1 # -Range: 0-300 -1.0000 Lu+++ + 1.0000 HCO3- = LuHCO3++ - -llnl_gamma 4.5 - log_k +1.9190 - -delta_H 1.66523 kJ/mol # Calculated enthalpy of reaction LuHCO3+2 +Lu+3 + HCO3- = LuHCO3+2 + -llnl_gamma 4.5 + log_k 1.919 + -delta_H 1.66523 kJ/mol # Calculated enthalpy of reaction LuHCO3+2 # Enthalpy of formation: -332.4 kcal/mol - -analytic 2.3187e+001 2.9604e-002 8.1268e+002 -1.3252e+001 1.2674e+001 + -analytic 2.3187e+1 2.9604e-2 8.1268e+2 -1.3252e+1 1.2674e+1 # -Range: 0-300 -1.0000 Lu+++ + 1.0000 HPO4-- = LuHPO4+ - -llnl_gamma 4.0 - log_k +6.0000 - -delta_H 0 # Not possible to calculate enthalpy of reaction LuHPO4+ +Lu+3 + HPO4-2 = LuHPO4+ + -llnl_gamma 4 + log_k 6 + -delta_H 0 # Not possible to calculate enthalpy of reaction LuHPO4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 NO3- + 1.0000 Lu+++ = LuNO3++ - -llnl_gamma 4.5 - log_k +0.5813 - -delta_H -41.7187 kJ/mol # Calculated enthalpy of reaction LuNO3+2 + +NO3- + Lu+3 = LuNO3+2 + -llnl_gamma 4.5 + log_k 0.5813 + -delta_H -41.7187 kJ/mol # Calculated enthalpy of reaction LuNO3+2 # Enthalpy of formation: -227.3 kcal/mol - -analytic 1.7412e+000 2.3703e-002 3.2605e+003 -7.7334e+000 5.0876e+001 + -analytic 1.7412e+0 2.3703e-2 3.2605e+3 -7.7334e+0 5.0876e+1 # -Range: 0-300 -1.0000 Lu+++ + 1.0000 H2O = LuO+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -15.3108 - -delta_H 99.6503 kJ/mol # Calculated enthalpy of reaction LuO+ +Lu+3 + H2O = LuO+ + 2 H+ + -llnl_gamma 4 + log_k -15.3108 + -delta_H 99.6503 kJ/mol # Calculated enthalpy of reaction LuO+ # Enthalpy of formation: -212.4 kcal/mol - -analytic 1.5946e+002 2.6603e-002 -1.2215e+004 -5.7276e+001 -1.9065e+002 + -analytic 1.5946e+2 2.6603e-2 -1.2215e+4 -5.7276e+1 -1.9065e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Lu+++ = LuO2- +4.0000 H+ - -llnl_gamma 4.0 - log_k -31.9411 - -delta_H 258.713 kJ/mol # Calculated enthalpy of reaction LuO2- +2 H2O + Lu+3 = LuO2- + 4 H+ + -llnl_gamma 4 + log_k -31.9411 + -delta_H 258.713 kJ/mol # Calculated enthalpy of reaction LuO2- # Enthalpy of formation: -242.7 kcal/mol - -analytic 1.1522e+002 5.0221e-003 -1.6847e+004 -3.7244e+001 -2.6292e+002 + -analytic 1.1522e+2 5.0221e-3 -1.6847e+4 -3.7244e+1 -2.6292e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Lu+++ = LuO2H +3.0000 H+ - -llnl_gamma 3.0 - log_k -23.878 - -delta_H 206.832 kJ/mol # Calculated enthalpy of reaction LuO2H +2 H2O + Lu+3 = LuO2H + 3 H+ + -llnl_gamma 3 + log_k -23.878 + -delta_H 206.832 kJ/mol # Calculated enthalpy of reaction LuO2H # Enthalpy of formation: -255.1 kcal/mol - -analytic 2.8768e+002 4.2338e-002 -2.0443e+004 -1.0330e+002 -3.1907e+002 + -analytic 2.8768e+2 4.2338e-2 -2.0443e+4 -1.033e+2 -3.1907e+2 # -Range: 0-300 -1.0000 Lu+++ + 1.0000 H2O = LuOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -7.6143 - -delta_H 72.0359 kJ/mol # Calculated enthalpy of reaction LuOH+2 +Lu+3 + H2O = LuOH+2 + H+ + -llnl_gamma 4.5 + log_k -7.6143 + -delta_H 72.0359 kJ/mol # Calculated enthalpy of reaction LuOH+2 # Enthalpy of formation: -219 kcal/mol - -analytic 4.2937e+001 9.2421e-003 -4.9953e+003 -1.4769e+001 -7.7960e+001 + -analytic 4.2937e+1 9.2421e-3 -4.9953e+3 -1.4769e+1 -7.796e+1 # -Range: 0-300 -1.0000 Lu+++ + 1.0000 HPO4-- = LuPO4 +1.0000 H+ - -llnl_gamma 3.0 - log_k +0.6782 - -delta_H 0 # Not possible to calculate enthalpy of reaction LuPO4 +Lu+3 + HPO4-2 = LuPO4 + H+ + -llnl_gamma 3 + log_k 0.6782 + -delta_H 0 # Not possible to calculate enthalpy of reaction LuPO4 # Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Lu+++ = LuSO4+ - -llnl_gamma 4.0 - log_k +3.5697 - -delta_H 19.5393 kJ/mol # Calculated enthalpy of reaction LuSO4+ + +SO4-2 + Lu+3 = LuSO4+ + -llnl_gamma 4 + log_k 3.5697 + -delta_H 19.5393 kJ/mol # Calculated enthalpy of reaction LuSO4+ # Enthalpy of formation: -380.63 kcal/mol - -analytic 3.0108e+002 8.5238e-002 -8.8411e+003 -1.1850e+002 -1.3805e+002 + -analytic 3.0108e+2 8.5238e-2 -8.8411e+3 -1.185e+2 -1.3805e+2 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Mg++ = Mg(Acetate)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -7.473 - -delta_H -23.8195 kJ/mol # Calculated enthalpy of reaction Mg(Acetate)2 +2 HAcetate + Mg+2 = Mg(Acetate)2 + 2 H+ + -llnl_gamma 3 + log_k -7.473 + -delta_H -23.8195 kJ/mol # Calculated enthalpy of reaction Mg(Acetate)2 # Enthalpy of formation: -349.26 kcal/mol - -analytic -4.3954e+001 -3.1842e-004 -1.2033e+003 1.3556e+001 6.3058e+005 + -analytic -4.3954e+1 -3.1842e-4 -1.2033e+3 1.3556e+1 6.3058e+5 # -Range: 0-300 -4.0000 Mg++ + 4.0000 H2O = Mg4(OH)4++++ +4.0000 H+ - -llnl_gamma 5.5 - log_k -39.75 - -delta_H 0 # Not possible to calculate enthalpy of reaction Mg4(OH)4+4 +4 Mg+2 + 4 H2O = Mg4(OH)4+4 + 4 H+ + -llnl_gamma 5.5 + log_k -39.75 + -delta_H 0 # Not possible to calculate enthalpy of reaction Mg4(OH)4+4 # Enthalpy of formation: -0 kcal/mol - -1.0000 Mg++ + 1.0000 H2O + 1.0000 B(OH)3 = MgB(OH)4+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -7.3467 - -delta_H 0 # Not possible to calculate enthalpy of reaction MgB(OH)4+ + +Mg+2 + H2O + B(OH)3 = MgB(OH)4+ + H+ + -llnl_gamma 4 + log_k -7.3467 + -delta_H 0 # Not possible to calculate enthalpy of reaction MgB(OH)4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 Mg++ + 1.0000 HAcetate = MgAcetate+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -3.4781 - -delta_H -8.42239 kJ/mol # Calculated enthalpy of reaction MgAcetate+ + +Mg+2 + HAcetate = MgAcetate+ + H+ + -llnl_gamma 4 + log_k -3.4781 + -delta_H -8.42239 kJ/mol # Calculated enthalpy of reaction MgAcetate+ # Enthalpy of formation: -229.48 kcal/mol - -analytic -2.3548e+001 -1.6071e-003 -4.2228e+002 7.7009e+000 2.5981e+005 + -analytic -2.3548e+1 -1.6071e-3 -4.2228e+2 7.7009e+0 2.5981e+5 # -Range: 0-300 -1.0000 Mg++ + 1.0000 HCO3- = MgCO3 +1.0000 H+ - -llnl_gamma 3.0 - log_k -7.3499 - -delta_H 23.8279 kJ/mol # Calculated enthalpy of reaction MgCO3 +Mg+2 + HCO3- = MgCO3 + H+ + -llnl_gamma 3 + log_k -7.3499 + -delta_H 23.8279 kJ/mol # Calculated enthalpy of reaction MgCO3 # Enthalpy of formation: -270.57 kcal/mol - -analytic 2.3465e+002 5.5538e-002 -8.3947e+003 -9.3104e+001 -1.3106e+002 + -analytic 2.3465e+2 5.5538e-2 -8.3947e+3 -9.3104e+1 -1.3106e+2 # -Range: 0-300 -1.0000 Mg++ + 1.0000 Cl- = MgCl+ - -llnl_gamma 4.0 - log_k -0.1349 - -delta_H -0.58576 kJ/mol # Calculated enthalpy of reaction MgCl+ +Mg+2 + Cl- = MgCl+ + -llnl_gamma 4 + log_k -0.1349 + -delta_H -0.58576 kJ/mol # Calculated enthalpy of reaction MgCl+ # Enthalpy of formation: -151.44 kcal/mol - -analytic 4.3363e+001 3.2858e-002 1.1878e+002 -2.1688e+001 1.8403e+000 + -analytic 4.3363e+1 3.2858e-2 1.1878e+2 -2.1688e+1 1.8403e+0 # -Range: 0-300 -1.0000 Mg++ + 1.0000 F- = MgF+ - -llnl_gamma 4.0 - log_k +1.3524 - -delta_H 2.37233 kJ/mol # Calculated enthalpy of reaction MgF+ +Mg+2 + F- = MgF+ + -llnl_gamma 4 + log_k 1.3524 + -delta_H 2.37233 kJ/mol # Calculated enthalpy of reaction MgF+ # Enthalpy of formation: -190.95 kcal/mol - -analytic 6.4311e+001 3.5184e-002 -7.3241e+002 -2.8678e+001 -1.1448e+001 + -analytic 6.4311e+1 3.5184e-2 -7.3241e+2 -2.8678e+1 -1.1448e+1 # -Range: 0-300 -1.0000 Mg++ + 1.0000 HPO4-- + 1.0000 H+ = MgH2PO4+ - -llnl_gamma 4.0 - log_k +1.6600 - -delta_H 0 # Not possible to calculate enthalpy of reaction MgH2PO4+ +Mg+2 + HPO4-2 + H+ = MgH2PO4+ + -llnl_gamma 4 + log_k 1.66 + -delta_H 0 # Not possible to calculate enthalpy of reaction MgH2PO4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 Mg++ + 1.0000 HCO3- = MgHCO3+ - -llnl_gamma 4.0 - log_k +1.0357 - -delta_H 2.15476 kJ/mol # Calculated enthalpy of reaction MgHCO3+ + +Mg+2 + HCO3- = MgHCO3+ + -llnl_gamma 4 + log_k 1.0357 + -delta_H 2.15476 kJ/mol # Calculated enthalpy of reaction MgHCO3+ # Enthalpy of formation: -275.75 kcal/mol - -analytic 3.8459e+001 3.0076e-002 9.8068e+001 -1.8869e+001 1.5187e+000 + -analytic 3.8459e+1 3.0076e-2 9.8068e+1 -1.8869e+1 1.5187e+0 # -Range: 0-300 -1.0000 Mg++ + 1.0000 HPO4-- = MgHPO4 - -llnl_gamma 3.0 - log_k +2.9100 - -delta_H 0 # Not possible to calculate enthalpy of reaction MgHPO4 +Mg+2 + HPO4-2 = MgHPO4 + -llnl_gamma 3 + log_k 2.91 + -delta_H 0 # Not possible to calculate enthalpy of reaction MgHPO4 # Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Mg++ = MgP2O7-- +1.0000 H2O - -llnl_gamma 4.0 - log_k +3.4727 - -delta_H 38.5451 kJ/mol # Calculated enthalpy of reaction MgP2O7-2 + +2 HPO4-2 + Mg+2 = MgP2O7-2 + H2O + -llnl_gamma 4 + log_k 3.4727 + -delta_H 38.5451 kJ/mol # Calculated enthalpy of reaction MgP2O7-2 # Enthalpy of formation: -2725.74 kJ/mol - -analytic 4.8038e+002 1.2530e-001 -1.5175e+004 -1.8724e+002 -2.3693e+002 + -analytic 4.8038e+2 1.253e-1 -1.5175e+4 -1.8724e+2 -2.3693e+2 # -Range: 0-300 -1.0000 Mg++ + 1.0000 HPO4-- = MgPO4- +1.0000 H+ - -llnl_gamma 4.0 - log_k -5.7328 - -delta_H 0 # Not possible to calculate enthalpy of reaction MgPO4- +Mg+2 + HPO4-2 = MgPO4- + H+ + -llnl_gamma 4 + log_k -5.7328 + -delta_H 0 # Not possible to calculate enthalpy of reaction MgPO4- # Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Mg++ = MgSO4 - -llnl_gamma 3.0 - log_k +2.4117 - -delta_H 19.6051 kJ/mol # Calculated enthalpy of reaction MgSO4 + +SO4-2 + Mg+2 = MgSO4 + -llnl_gamma 3 + log_k 2.4117 + -delta_H 19.6051 kJ/mol # Calculated enthalpy of reaction MgSO4 # Enthalpy of formation: -1355.96 kJ/mol - -analytic 1.7994e+002 6.4715e-002 -4.7314e+003 -7.3123e+001 -8.0408e+001 + -analytic 1.7994e+2 6.4715e-2 -4.7314e+3 -7.3123e+1 -8.0408e+1 # -Range: 0-200 -2.0000 HAcetate + 1.0000 Mn++ = Mn(Acetate)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -7.4547 - -delta_H -11.4893 kJ/mol # Calculated enthalpy of reaction Mn(Acetate)2 +2 HAcetate + Mn+2 = Mn(Acetate)2 + 2 H+ + -llnl_gamma 3 + log_k -7.4547 + -delta_H -11.4893 kJ/mol # Calculated enthalpy of reaction Mn(Acetate)2 # Enthalpy of formation: -287.67 kcal/mol - -analytic -9.0558e-001 5.9656e-003 -4.3531e+003 -1.1063e+000 8.0323e+005 + -analytic -9.0558e-1 5.9656e-3 -4.3531e+3 -1.1063e+0 8.0323e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Mn++ = Mn(Acetate)3- +3.0000 H+ - -llnl_gamma 4.0 - log_k -11.8747 - -delta_H -30.3591 kJ/mol # Calculated enthalpy of reaction Mn(Acetate)3- +3 HAcetate + Mn+2 = Mn(Acetate)3- + 3 H+ + -llnl_gamma 4 + log_k -11.8747 + -delta_H -30.3591 kJ/mol # Calculated enthalpy of reaction Mn(Acetate)3- # Enthalpy of formation: -408.28 kcal/mol - -analytic -3.8531e+000 -9.9140e-003 -1.2065e+004 5.1424e+000 2.0175e+006 -# -Range: 0-300 - -2.0000 NO3- + 1.0000 Mn++ = Mn(NO3)2 - -llnl_gamma 3.0 - log_k +0.6000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Mn(NO3)2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 Mn++ = Mn(OH)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -22.2 - -delta_H 0 # Not possible to calculate enthalpy of reaction Mn(OH)2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 H2O + 1.0000 Mn++ = Mn(OH)3- +3.0000 H+ - -llnl_gamma 4.0 - log_k -34.2278 - -delta_H 0 # Not possible to calculate enthalpy of reaction Mn(OH)3- -# Enthalpy of formation: -0 kcal/mol - -4.0000 H2O + 1.0000 Mn++ = Mn(OH)4-- +4.0000 H+ - -llnl_gamma 4.0 - log_k -48.3 - -delta_H 0 # Not possible to calculate enthalpy of reaction Mn(OH)4-2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 H2O + 2.0000 Mn++ = Mn2(OH)3+ +3.0000 H+ - -llnl_gamma 4.0 - log_k -23.9 - -delta_H 0 # Not possible to calculate enthalpy of reaction Mn2(OH)3+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 Mn++ + 1.0000 H2O = Mn2OH+++ +1.0000 H+ - -llnl_gamma 5.0 - log_k -10.56 - -delta_H 0 # Not possible to calculate enthalpy of reaction Mn2OH+3 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Mn++ + 1.0000 HAcetate = MnAcetate+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -3.5404 - -delta_H -3.07942 kJ/mol # Calculated enthalpy of reaction MnAcetate+ + -analytic -3.8531e+0 -9.914e-3 -1.2065e+4 5.1424e+0 2.0175e+6 +# -Range: 0-300 + +2 NO3- + Mn+2 = Mn(NO3)2 + -llnl_gamma 3 + log_k 0.6 + -delta_H 0 # Not possible to calculate enthalpy of reaction Mn(NO3)2 +# Enthalpy of formation: -0 kcal/mol + +2 H2O + Mn+2 = Mn(OH)2 + 2 H+ + -llnl_gamma 3 + log_k -22.2 + -delta_H 0 # Not possible to calculate enthalpy of reaction Mn(OH)2 +# Enthalpy of formation: -0 kcal/mol + +3 H2O + Mn+2 = Mn(OH)3- + 3 H+ + -llnl_gamma 4 + log_k -34.2278 + -delta_H 0 # Not possible to calculate enthalpy of reaction Mn(OH)3- +# Enthalpy of formation: -0 kcal/mol + +4 H2O + Mn+2 = Mn(OH)4-2 + 4 H+ + -llnl_gamma 4 + log_k -48.3 + -delta_H 0 # Not possible to calculate enthalpy of reaction Mn(OH)4-2 +# Enthalpy of formation: -0 kcal/mol + +3 H2O + 2 Mn+2 = Mn2(OH)3+ + 3 H+ + -llnl_gamma 4 + log_k -23.9 + -delta_H 0 # Not possible to calculate enthalpy of reaction Mn2(OH)3+ +# Enthalpy of formation: -0 kcal/mol + +2 Mn+2 + H2O = Mn2OH+3 + H+ + -llnl_gamma 5 + log_k -10.56 + -delta_H 0 # Not possible to calculate enthalpy of reaction Mn2OH+3 +# Enthalpy of formation: -0 kcal/mol + +Mn+2 + HAcetate = MnAcetate+ + H+ + -llnl_gamma 4 + log_k -3.5404 + -delta_H -3.07942 kJ/mol # Calculated enthalpy of reaction MnAcetate+ # Enthalpy of formation: -169.56 kcal/mol - -analytic -1.4061e+001 1.8149e-003 -8.6438e+002 4.0354e+000 2.5831e+005 + -analytic -1.4061e+1 1.8149e-3 -8.6438e+2 4.0354e+0 2.5831e+5 # -Range: 0-300 -1.0000 Mn++ + 1.0000 HCO3- = MnCO3 +1.0000 H+ - -llnl_gamma 3.0 - log_k -5.8088 - -delta_H 0 # Not possible to calculate enthalpy of reaction MnCO3 +Mn+2 + HCO3- = MnCO3 + H+ + -llnl_gamma 3 + log_k -5.8088 + -delta_H 0 # Not possible to calculate enthalpy of reaction MnCO3 # Enthalpy of formation: -0 kcal/mol - -1.0000 Mn++ + 1.0000 Cl- = MnCl+ - -llnl_gamma 4.0 - log_k +0.3013 - -delta_H 18.3134 kJ/mol # Calculated enthalpy of reaction MnCl+ + +Mn+2 + Cl- = MnCl+ + -llnl_gamma 4 + log_k 0.3013 + -delta_H 18.3134 kJ/mol # Calculated enthalpy of reaction MnCl+ # Enthalpy of formation: -88.28 kcal/mol - -analytic 8.7072e+001 4.0361e-002 -2.1786e+003 -3.6966e+001 -3.4022e+001 -# -Range: 0-300 - -3.0000 Cl- + 1.0000 Mn++ = MnCl3- - -llnl_gamma 4.0 - log_k -0.3324 - -delta_H 0 # Not possible to calculate enthalpy of reaction MnCl3- -# Enthalpy of formation: -0 kcal/mol - -1.0000 Mn++ + 1.0000 F- = MnF+ - -llnl_gamma 4.0 - log_k +1.4300 - -delta_H 0 # Not possible to calculate enthalpy of reaction MnF+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Mn++ + 1.0000 HPO4-- + 1.0000 H+ = MnH2PO4+ - -llnl_gamma 4.0 - log_k +8.5554 - -delta_H 0 # Not possible to calculate enthalpy of reaction MnH2PO4+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Mn++ + 1.0000 HCO3- = MnHCO3+ - -llnl_gamma 4.0 - log_k +0.8816 - -delta_H 0 # Not possible to calculate enthalpy of reaction MnHCO3+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Mn++ + 1.0000 HPO4-- = MnHPO4 - -llnl_gamma 3.0 - log_k +3.5800 - -delta_H 0 # Not possible to calculate enthalpy of reaction MnHPO4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 NO3- + 1.0000 Mn++ = MnNO3+ - -llnl_gamma 4.0 - log_k +0.2000 - -delta_H 0 # Not possible to calculate enthalpy of reaction MnNO3+ -# Enthalpy of formation: -0 kcal/mol - -1.5000 H2O + 1.2500 O2 + 1.0000 Mn++ = MnO4- +3.0000 H+ - -llnl_gamma 3.5 - log_k -20.2963 - -delta_H 123.112 kJ/mol # Calculated enthalpy of reaction MnO4- + -analytic 8.7072e+1 4.0361e-2 -2.1786e+3 -3.6966e+1 -3.4022e+1 +# -Range: 0-300 + +3 Cl- + Mn+2 = MnCl3- + -llnl_gamma 4 + log_k -0.3324 + -delta_H 0 # Not possible to calculate enthalpy of reaction MnCl3- +# Enthalpy of formation: -0 kcal/mol + +Mn+2 + F- = MnF+ + -llnl_gamma 4 + log_k 1.43 + -delta_H 0 # Not possible to calculate enthalpy of reaction MnF+ +# Enthalpy of formation: -0 kcal/mol + +Mn+2 + HPO4-2 + H+ = MnH2PO4+ + -llnl_gamma 4 + log_k 8.5554 + -delta_H 0 # Not possible to calculate enthalpy of reaction MnH2PO4+ +# Enthalpy of formation: -0 kcal/mol + +Mn+2 + HCO3- = MnHCO3+ + -llnl_gamma 4 + log_k 0.8816 + -delta_H 0 # Not possible to calculate enthalpy of reaction MnHCO3+ +# Enthalpy of formation: -0 kcal/mol + +Mn+2 + HPO4-2 = MnHPO4 + -llnl_gamma 3 + log_k 3.58 + -delta_H 0 # Not possible to calculate enthalpy of reaction MnHPO4 +# Enthalpy of formation: -0 kcal/mol + +NO3- + Mn+2 = MnNO3+ + -llnl_gamma 4 + log_k 0.2 + -delta_H 0 # Not possible to calculate enthalpy of reaction MnNO3+ +# Enthalpy of formation: -0 kcal/mol + +1.5 H2O + 1.25 O2 + Mn+2 = MnO4- + 3 H+ + -llnl_gamma 3.5 + log_k -20.2963 + -delta_H 123.112 kJ/mol # Calculated enthalpy of reaction MnO4- # Enthalpy of formation: -129.4 kcal/mol - -analytic 1.8544e+001 -1.7618e-002 -6.7332e+003 -3.3193e+000 -2.4924e+005 + -analytic 1.8544e+1 -1.7618e-2 -6.7332e+3 -3.3193e+0 -2.4924e+5 # -Range: 0-300 -1.0000 Mn++ + 1.0000 H2O = MnOH+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -10.59 - -delta_H 0 # Not possible to calculate enthalpy of reaction MnOH+ +Mn+2 + H2O = MnOH+ + H+ + -llnl_gamma 4 + log_k -10.59 + -delta_H 0 # Not possible to calculate enthalpy of reaction MnOH+ # Enthalpy of formation: -0 kcal/mol - -1.0000 Mn++ + 1.0000 HPO4-- = MnPO4- +1.0000 H+ - -llnl_gamma 4.0 - log_k -5.1318 - -delta_H 0 # Not possible to calculate enthalpy of reaction MnPO4- + +Mn+2 + HPO4-2 = MnPO4- + H+ + -llnl_gamma 4 + log_k -5.1318 + -delta_H 0 # Not possible to calculate enthalpy of reaction MnPO4- # Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Mn++ = MnSO4 - -llnl_gamma 3.0 - log_k +2.3529 - -delta_H 14.1168 kJ/mol # Calculated enthalpy of reaction MnSO4 + +SO4-2 + Mn+2 = MnSO4 + -llnl_gamma 3 + log_k 2.3529 + -delta_H 14.1168 kJ/mol # Calculated enthalpy of reaction MnSO4 # Enthalpy of formation: -266.75 kcal/mol - -analytic 2.9448e+002 8.5294e-002 -8.1366e+003 -1.1729e+002 -1.2705e+002 + -analytic 2.9448e+2 8.5294e-2 -8.1366e+3 -1.1729e+2 -1.2705e+2 # -Range: 0-300 -1.0000 SeO4-- + 1.0000 Mn++ = MnSeO4 - -llnl_gamma 3.0 - log_k +2.4300 - -delta_H 0 # Not possible to calculate enthalpy of reaction MnSeO4 +SeO4-2 + Mn+2 = MnSeO4 + -llnl_gamma 3 + log_k 2.43 + -delta_H 0 # Not possible to calculate enthalpy of reaction MnSeO4 # Enthalpy of formation: -0 kcal/mol - -2.0000 HAcetate + 1.0000 NH3 = NH4(Acetate)2- +1.0000 H+ - -llnl_gamma 4.0 - log_k -0.1928 - -delta_H -56.735 kJ/mol # Calculated enthalpy of reaction NH4(Acetate)2- + +2 HAcetate + NH3 = NH4(Acetate)2- + H+ + -llnl_gamma 4 + log_k -0.1928 + -delta_H -56.735 kJ/mol # Calculated enthalpy of reaction NH4(Acetate)2- # Enthalpy of formation: -265.2 kcal/mol - -analytic 3.7137e+001 -1.2242e-002 -8.4764e+003 -8.4308e+000 1.3883e+006 + -analytic 3.7137e+1 -1.2242e-2 -8.4764e+3 -8.4308e+0 1.3883e+6 # -Range: 0-300 -1.0000 NH3 + 1.0000 H+ = NH4+ - -llnl_gamma 2.5 - log_k +9.2410 - -delta_H -51.9234 kJ/mol # Calculated enthalpy of reaction NH4+ +NH3 + H+ = NH4+ + -llnl_gamma 2.5 + log_k 9.241 + -delta_H -51.9234 kJ/mol # Calculated enthalpy of reaction NH4+ # Enthalpy of formation: -31.85 kcal/mol - -analytic -1.4527e+001 -5.0518e-003 3.0447e+003 6.0865e+000 4.7515e+001 + -analytic -1.4527e+1 -5.0518e-3 3.0447e+3 6.0865e+0 4.7515e+1 # -Range: 0-300 -1.0000 NH3 + 1.0000 HAcetate = NH4Acetate - -llnl_gamma 3.0 - log_k +4.6964 - -delta_H -48.911 kJ/mol # Calculated enthalpy of reaction NH4Acetate +NH3 + HAcetate = NH4Acetate + -llnl_gamma 3 + log_k 4.6964 + -delta_H -48.911 kJ/mol # Calculated enthalpy of reaction NH4Acetate # Enthalpy of formation: -147.23 kcal/mol - -analytic 1.4104e+001 -4.3664e-003 -1.0746e+003 -3.6999e+000 4.1428e+005 + -analytic 1.4104e+1 -4.3664e-3 -1.0746e+3 -3.6999e+0 4.1428e+5 # -Range: 0-300 -1.0000 SO4-- + 1.0000 NH3 + 1.0000 H+ = NH4SO4- - -llnl_gamma 4.0 - log_k +0.9400 - -delta_H 0 # Not possible to calculate enthalpy of reaction NH4SO4- +SO4-2 + NH3 + H+ = NH4SO4- + -llnl_gamma 4 + log_k 0.94 + -delta_H 0 # Not possible to calculate enthalpy of reaction NH4SO4- # Enthalpy of formation: -0 kcal/mol - -1.0000 Sb(OH)3 + 1.0000 NH3 = NH4SbO2 +1.0000 H2O - -llnl_gamma 3.0 - log_k -2.5797 - -delta_H 0 # Not possible to calculate enthalpy of reaction NH4SbO2 + +Sb(OH)3 + NH3 = NH4SbO2 + H2O + -llnl_gamma 3 + log_k -2.5797 + -delta_H 0 # Not possible to calculate enthalpy of reaction NH4SbO2 # Enthalpy of formation: -0 kcal/mol - -2.0000 HAcetate + 1.0000 Na+ = Na(Acetate)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -9.9989 - -delta_H -11.5771 kJ/mol # Calculated enthalpy of reaction Na(Acetate)2- + +2 HAcetate + Na+ = Na(Acetate)2- + 2 H+ + -llnl_gamma 4 + log_k -9.9989 + -delta_H -11.5771 kJ/mol # Calculated enthalpy of reaction Na(Acetate)2- # Enthalpy of formation: -292.4 kcal/mol - -analytic -2.9232e+002 -5.5708e-002 9.6601e+003 1.0772e+002 1.5082e+002 + -analytic -2.9232e+2 -5.5708e-2 9.6601e+3 1.0772e+2 1.5082e+2 # -Range: 0-300 -1.0000 O_phthalate-2 + 1.0000 Na+ = Na(O_phthalate)- - -llnl_gamma 4.0 - log_k +0.7000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Na(O_phthalate)- +O_phthalate-2 + Na+ = Na(O_phthalate)- + -llnl_gamma 4 + log_k 0.7 + -delta_H 0 # Not possible to calculate enthalpy of reaction Na(O_phthalate)- # Enthalpy of formation: -0 kcal/mol - -2.0000 Na+ + 2.0000 HPO4-- = Na2P2O7-- +1.0000 H2O - -llnl_gamma 4.0 - log_k +0.4437 - -delta_H 0 # Not possible to calculate enthalpy of reaction Na2P2O7-2 + +2 Na+ + 2 HPO4-2 = Na2P2O7-2 + H2O + -llnl_gamma 4 + log_k 0.4437 + -delta_H 0 # Not possible to calculate enthalpy of reaction Na2P2O7-2 # Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 Na+ + 1.0000 Al+++ = NaAlO2 +4.0000 H+ - -llnl_gamma 3.0 - log_k -23.6266 - -delta_H 190.326 kJ/mol # Calculated enthalpy of reaction NaAlO2 + +2 H2O + Na+ + Al+3 = NaAlO2 + 4 H+ + -llnl_gamma 3 + log_k -23.6266 + -delta_H 190.326 kJ/mol # Calculated enthalpy of reaction NaAlO2 # Enthalpy of formation: -277.259 kcal/mol - -analytic 1.2288e+002 3.4921e-002 -1.2808e+004 -4.6046e+001 -1.9990e+002 + -analytic 1.2288e+2 3.4921e-2 -1.2808e+4 -4.6046e+1 -1.999e+2 # -Range: 0-300 -1.0000 Na+ + 1.0000 H2O + 1.0000 B(OH)3 = NaB(OH)4 +1.0000 H+ - -llnl_gamma 3.0 - log_k -8.974 - -delta_H 0 # Not possible to calculate enthalpy of reaction NaB(OH)4 +Na+ + H2O + B(OH)3 = NaB(OH)4 + H+ + -llnl_gamma 3 + log_k -8.974 + -delta_H 0 # Not possible to calculate enthalpy of reaction NaB(OH)4 # Enthalpy of formation: -0 kcal/mol - -1.0000 Na+ + 1.0000 Br- = NaBr - -llnl_gamma 3.0 - log_k -1.3568 - -delta_H 6.87431 kJ/mol # Calculated enthalpy of reaction NaBr + +Na+ + Br- = NaBr + -llnl_gamma 3 + log_k -1.3568 + -delta_H 6.87431 kJ/mol # Calculated enthalpy of reaction NaBr # Enthalpy of formation: -84.83 kcal/mol - -analytic 1.1871e+002 3.7271e-002 -3.4061e+003 -4.8386e+001 -5.3184e+001 + -analytic 1.1871e+2 3.7271e-2 -3.4061e+3 -4.8386e+1 -5.3184e+1 # -Range: 0-300 -1.0000 Na+ + 1.0000 HAcetate = NaAcetate +1.0000 H+ - -llnl_gamma 3.0 - log_k -4.8606 - -delta_H -0.029288 kJ/mol # Calculated enthalpy of reaction NaAcetate +Na+ + HAcetate = NaAcetate + H+ + -llnl_gamma 3 + log_k -4.8606 + -delta_H -0.029288 kJ/mol # Calculated enthalpy of reaction NaAcetate # Enthalpy of formation: -173.54 kcal/mol - -analytic 6.4833e+000 -1.8739e-003 -2.0902e+003 -2.6121e+000 2.3990e+005 + -analytic 6.4833e+0 -1.8739e-3 -2.0902e+3 -2.6121e+0 2.399e+5 # -Range: 0-300 -1.0000 Na+ + 1.0000 HCO3- = NaCO3- +1.0000 H+ - -llnl_gamma 4.0 - log_k -9.8144 - -delta_H -5.6521 kJ/mol # Calculated enthalpy of reaction NaCO3- +Na+ + HCO3- = NaCO3- + H+ + -llnl_gamma 4 + log_k -9.8144 + -delta_H -5.6521 kJ/mol # Calculated enthalpy of reaction NaCO3- # Enthalpy of formation: -935.885 kJ/mol - -analytic 1.6939e+002 5.3122e-004 -7.6768e+003 -6.2078e+001 -1.1984e+002 + -analytic 1.6939e+2 5.3122e-4 -7.6768e+3 -6.2078e+1 -1.1984e+2 # -Range: 0-300 -1.0000 Na+ + 1.0000 Cl- = NaCl - -llnl_gamma 3.0 - log_k -0.777 - -delta_H 5.21326 kJ/mol # Calculated enthalpy of reaction NaCl +Na+ + Cl- = NaCl + -llnl_gamma 3 + log_k -0.777 + -delta_H 5.21326 kJ/mol # Calculated enthalpy of reaction NaCl # Enthalpy of formation: -96.12 kcal/mol - -analytic 1.1398e+002 3.6386e-002 -3.0847e+003 -4.6571e+001 -4.8167e+001 + -analytic 1.1398e+2 3.6386e-2 -3.0847e+3 -4.6571e+1 -4.8167e+1 # -Range: 0-300 -1.0000 Na+ + 1.0000 F- = NaF - -llnl_gamma 3.0 - log_k -0.9976 - -delta_H 7.20903 kJ/mol # Calculated enthalpy of reaction NaF +Na+ + F- = NaF + -llnl_gamma 3 + log_k -0.9976 + -delta_H 7.20903 kJ/mol # Calculated enthalpy of reaction NaF # Enthalpy of formation: -135.86 kcal/mol - -analytic 1.2507e+002 3.8619e-002 -3.5436e+003 -5.0787e+001 -5.5332e+001 + -analytic 1.2507e+2 3.8619e-2 -3.5436e+3 -5.0787e+1 -5.5332e+1 # -Range: 0-300 -1.0000 Na+ + 1.0000 HCO3- = NaHCO3 - -llnl_gamma 3.0 - log_k +0.1541 - -delta_H -13.7741 kJ/mol # Calculated enthalpy of reaction NaHCO3 +Na+ + HCO3- = NaHCO3 + -llnl_gamma 3 + log_k 0.1541 + -delta_H -13.7741 kJ/mol # Calculated enthalpy of reaction NaHCO3 # Enthalpy of formation: -944.007 kJ/mol - -analytic -9.0668e+001 -2.9866e-002 2.7947e+003 3.6515e+001 4.7489e+001 + -analytic -9.0668e+1 -2.9866e-2 2.7947e+3 3.6515e+1 4.7489e+1 # -Range: 0-200 -2.0000 HPO4-- + 1.0000 Na+ + 1.0000 H+ = NaHP2O7-- +1.0000 H2O - -llnl_gamma 4.0 - log_k +6.8498 - -delta_H 0 # Not possible to calculate enthalpy of reaction NaHP2O7-2 +2 HPO4-2 + Na+ + H+ = NaHP2O7-2 + H2O + -llnl_gamma 4 + log_k 6.8498 + -delta_H 0 # Not possible to calculate enthalpy of reaction NaHP2O7-2 # Enthalpy of formation: -0 kcal/mol - -1.0000 Na+ + 1.0000 HPO4-- = NaHPO4- - -llnl_gamma 4.0 - log_k +0.9200 - -delta_H 0 # Not possible to calculate enthalpy of reaction NaHPO4- + +Na+ + HPO4-2 = NaHPO4- + -llnl_gamma 4 + log_k 0.92 + -delta_H 0 # Not possible to calculate enthalpy of reaction NaHPO4- # Enthalpy of formation: -0 kcal/mol - -1.0000 SiO2 + 1.0000 Na+ + 1.0000 H2O = NaHSiO3 +1.0000 H+ - -llnl_gamma 3.0 - log_k -8.304 - -delta_H 11.6524 kJ/mol # Calculated enthalpy of reaction NaHSiO3 + +SiO2 + Na+ + H2O = NaHSiO3 + H+ + -llnl_gamma 3 + log_k -8.304 + -delta_H 11.6524 kJ/mol # Calculated enthalpy of reaction NaHSiO3 # Enthalpy of formation: -332.74 kcal/mol - -analytic 3.6045e+001 -9.0411e-003 -6.6605e+003 -1.0447e+001 5.8415e+005 + -analytic 3.6045e+1 -9.0411e-3 -6.6605e+3 -1.0447e+1 5.8415e+5 # -Range: 0-300 -1.0000 Na+ + 1.0000 I- = NaI - -llnl_gamma 3.0 - log_k -1.54 - -delta_H 7.33455 kJ/mol # Calculated enthalpy of reaction NaI +Na+ + I- = NaI + -llnl_gamma 3 + log_k -1.54 + -delta_H 7.33455 kJ/mol # Calculated enthalpy of reaction NaI # Enthalpy of formation: -69.28 kcal/mol - -analytic 9.8742e+001 3.2917e-002 -2.7576e+003 -4.0748e+001 -4.3058e+001 + -analytic 9.8742e+1 3.2917e-2 -2.7576e+3 -4.0748e+1 -4.3058e+1 # -Range: 0-300 -1.0000 Na+ + 1.0000 H2O = NaOH +1.0000 H+ - -llnl_gamma 3.0 - log_k -14.7948 - -delta_H 53.6514 kJ/mol # Calculated enthalpy of reaction NaOH +Na+ + H2O = NaOH + H+ + -llnl_gamma 3 + log_k -14.7948 + -delta_H 53.6514 kJ/mol # Calculated enthalpy of reaction NaOH # Enthalpy of formation: -112.927 kcal/mol - -analytic 8.7326e+001 2.3555e-002 -5.4770e+003 -3.6678e+001 -8.5489e+001 + -analytic 8.7326e+1 2.3555e-2 -5.477e+3 -3.6678e+1 -8.5489e+1 # -Range: 0-300 -2.0000 HPO4-- + 1.0000 Na+ = NaP2O7--- +1.0000 H2O - -llnl_gamma 4.0 - log_k -1.4563 - -delta_H 0 # Not possible to calculate enthalpy of reaction NaP2O7-3 +2 HPO4-2 + Na+ = NaP2O7-3 + H2O + -llnl_gamma 4 + log_k -1.4563 + -delta_H 0 # Not possible to calculate enthalpy of reaction NaP2O7-3 # Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Na+ = NaSO4- - -llnl_gamma 4.0 - log_k +0.8200 - -delta_H 0 # Not possible to calculate enthalpy of reaction NaSO4- + +SO4-2 + Na+ = NaSO4- + -llnl_gamma 4 + log_k 0.82 + -delta_H 0 # Not possible to calculate enthalpy of reaction NaSO4- # Enthalpy of formation: -0 kcal/mol - -2.0000 HAcetate + 1.0000 Nd+++ = Nd(Acetate)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -4.9771 - -delta_H -22.6354 kJ/mol # Calculated enthalpy of reaction Nd(Acetate)2+ + +2 HAcetate + Nd+3 = Nd(Acetate)2+ + 2 H+ + -llnl_gamma 4 + log_k -4.9771 + -delta_H -22.6354 kJ/mol # Calculated enthalpy of reaction Nd(Acetate)2+ # Enthalpy of formation: -404.11 kcal/mol - -analytic -2.2128e+001 1.0975e-003 -7.1543e+002 5.8799e+000 4.1748e+005 + -analytic -2.2128e+1 1.0975e-3 -7.1543e+2 5.8799e+0 4.1748e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Nd+++ = Nd(Acetate)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -8.2976 - -delta_H -38.8694 kJ/mol # Calculated enthalpy of reaction Nd(Acetate)3 +3 HAcetate + Nd+3 = Nd(Acetate)3 + 3 H+ + -llnl_gamma 3 + log_k -8.2976 + -delta_H -38.8694 kJ/mol # Calculated enthalpy of reaction Nd(Acetate)3 # Enthalpy of formation: -524.09 kcal/mol - -analytic -4.5726e+001 -2.6143e-003 5.9389e+002 1.2679e+001 4.3320e+005 + -analytic -4.5726e+1 -2.6143e-3 5.9389e+2 1.2679e+1 4.332e+5 # -Range: 0-300 -2.0000 HCO3- + 1.0000 Nd+++ = Nd(CO3)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -8.0576 - -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(CO3)2- +2 HCO3- + Nd+3 = Nd(CO3)2- + 2 H+ + -llnl_gamma 4 + log_k -8.0576 + -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(CO3)2- # Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Nd+++ = Nd(HPO4)2- - -llnl_gamma 4.0 - log_k +9.1000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(HPO4)2- + +2 HPO4-2 + Nd+3 = Nd(HPO4)2- + -llnl_gamma 4 + log_k 9.1 + -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(HPO4)2- # Enthalpy of formation: -0 kcal/mol - + # Redundant with NdO2- #4.0000 H2O + 1.0000 Nd+++ = Nd(OH)4- +4.0000 H+ -# -llnl_gamma 4.0 +# -llnl_gamma 4.0 # log_k -37.0803 # -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(OH)4- ## Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Nd+++ = Nd(PO4)2--- +2.0000 H+ - -llnl_gamma 4.0 - log_k -5.1437 - -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(PO4)2-3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 Nd+++ = Nd(SO4)2- - -llnl_gamma 4.0 - log_k -255.7478 - -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(SO4)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 Nd+++ + 2.0000 H2O = Nd2(OH)2++++ +2.0000 H+ - -llnl_gamma 5.5 - log_k -13.8902 - -delta_H 0 # Not possible to calculate enthalpy of reaction Nd2(OH)2+4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Nd+++ + 1.0000 HAcetate = NdAcetate++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -2.0891 - -delta_H -12.0081 kJ/mol # Calculated enthalpy of reaction NdAcetate+2 + +2 HPO4-2 + Nd+3 = Nd(PO4)2-3 + 2 H+ + -llnl_gamma 4 + log_k -5.1437 + -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(PO4)2-3 +# Enthalpy of formation: -0 kcal/mol + +2 SO4-2 + Nd+3 = Nd(SO4)2- + -llnl_gamma 4 + log_k -255.7478 + -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(SO4)2- +# Enthalpy of formation: -0 kcal/mol + +2 Nd+3 + 2 H2O = Nd2(OH)2+4 + 2 H+ + -llnl_gamma 5.5 + log_k -13.8902 + -delta_H 0 # Not possible to calculate enthalpy of reaction Nd2(OH)2+4 +# Enthalpy of formation: -0 kcal/mol + +Nd+3 + HAcetate = NdAcetate+2 + H+ + -llnl_gamma 4.5 + log_k -2.0891 + -delta_H -12.0081 kJ/mol # Calculated enthalpy of reaction NdAcetate+2 # Enthalpy of formation: -285.47 kcal/mol - -analytic -1.6006e+001 4.1948e-004 -3.6469e+002 4.9280e+000 2.5187e+005 + -analytic -1.6006e+1 4.1948e-4 -3.6469e+2 4.928e+0 2.5187e+5 # -Range: 0-300 -1.0000 Nd+++ + 1.0000 HCO3- = NdCO3+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.6256 - -delta_H 91.6212 kJ/mol # Calculated enthalpy of reaction NdCO3+ +Nd+3 + HCO3- = NdCO3+ + H+ + -llnl_gamma 4 + log_k -2.6256 + -delta_H 91.6212 kJ/mol # Calculated enthalpy of reaction NdCO3+ # Enthalpy of formation: -309.5 kcal/mol - -analytic 2.3399e+002 5.3454e-002 -7.0513e+003 -9.2500e+001 -1.1010e+002 + -analytic 2.3399e+2 5.3454e-2 -7.0513e+3 -9.25e+1 -1.101e+2 # -Range: 0-300 -1.0000 Nd+++ + 1.0000 Cl- = NdCl++ - -llnl_gamma 4.5 - log_k +0.3086 - -delta_H 14.3637 kJ/mol # Calculated enthalpy of reaction NdCl+2 +Nd+3 + Cl- = NdCl+2 + -llnl_gamma 4.5 + log_k 0.3086 + -delta_H 14.3637 kJ/mol # Calculated enthalpy of reaction NdCl+2 # Enthalpy of formation: -203 kcal/mol - -analytic 9.4587e+001 3.9331e-002 -2.4200e+003 -3.9550e+001 -3.7790e+001 + -analytic 9.4587e+1 3.9331e-2 -2.42e+3 -3.955e+1 -3.779e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Nd+++ = NdCl2+ - -llnl_gamma 4.0 - log_k +0.0308 - -delta_H 20.3593 kJ/mol # Calculated enthalpy of reaction NdCl2+ +2 Cl- + Nd+3 = NdCl2+ + -llnl_gamma 4 + log_k 0.0308 + -delta_H 20.3593 kJ/mol # Calculated enthalpy of reaction NdCl2+ # Enthalpy of formation: -241.5 kcal/mol - -analytic 2.5840e+002 8.4118e-002 -7.2056e+003 -1.0477e+002 -1.1251e+002 + -analytic 2.584e+2 8.4118e-2 -7.2056e+3 -1.0477e+2 -1.1251e+2 # -Range: 0-300 -3.0000 Cl- + 1.0000 Nd+++ = NdCl3 - -llnl_gamma 3.0 - log_k -0.3203 - -delta_H 15.0582 kJ/mol # Calculated enthalpy of reaction NdCl3 +3 Cl- + Nd+3 = NdCl3 + -llnl_gamma 3 + log_k -0.3203 + -delta_H 15.0582 kJ/mol # Calculated enthalpy of reaction NdCl3 # Enthalpy of formation: -282.7 kcal/mol - -analytic 4.9362e+002 1.3485e-001 -1.4309e+004 -1.9645e+002 -2.2343e+002 + -analytic 4.9362e+2 1.3485e-1 -1.4309e+4 -1.9645e+2 -2.2343e+2 # -Range: 0-300 -4.0000 Cl- + 1.0000 Nd+++ = NdCl4- - -llnl_gamma 4.0 - log_k -0.7447 - -delta_H -3.21331 kJ/mol # Calculated enthalpy of reaction NdCl4- +4 Cl- + Nd+3 = NdCl4- + -llnl_gamma 4 + log_k -0.7447 + -delta_H -3.21331 kJ/mol # Calculated enthalpy of reaction NdCl4- # Enthalpy of formation: -327 kcal/mol - -analytic 6.0548e+002 1.4227e-001 -1.8055e+004 -2.3765e+002 -2.8191e+002 + -analytic 6.0548e+2 1.4227e-1 -1.8055e+4 -2.3765e+2 -2.8191e+2 # -Range: 0-300 -1.0000 Nd+++ + 1.0000 F- = NdF++ - -llnl_gamma 4.5 - log_k +4.3687 - -delta_H 22.8028 kJ/mol # Calculated enthalpy of reaction NdF+2 +Nd+3 + F- = NdF+2 + -llnl_gamma 4.5 + log_k 4.3687 + -delta_H 22.8028 kJ/mol # Calculated enthalpy of reaction NdF+2 # Enthalpy of formation: -241.2 kcal/mol - -analytic 1.1461e+002 4.3014e-002 -3.2461e+003 -4.5326e+001 -5.0687e+001 + -analytic 1.1461e+2 4.3014e-2 -3.2461e+3 -4.5326e+1 -5.0687e+1 # -Range: 0-300 -2.0000 F- + 1.0000 Nd+++ = NdF2+ - -llnl_gamma 4.0 - log_k +7.5646 - -delta_H 13.8072 kJ/mol # Calculated enthalpy of reaction NdF2+ +2 F- + Nd+3 = NdF2+ + -llnl_gamma 4 + log_k 7.5646 + -delta_H 13.8072 kJ/mol # Calculated enthalpy of reaction NdF2+ # Enthalpy of formation: -323.5 kcal/mol - -analytic 2.7901e+002 8.7910e-002 -7.2424e+003 -1.1046e+002 -1.1309e+002 + -analytic 2.7901e+2 8.791e-2 -7.2424e+3 -1.1046e+2 -1.1309e+2 # -Range: 0-300 -3.0000 F- + 1.0000 Nd+++ = NdF3 - -llnl_gamma 3.0 - log_k +9.8809 - -delta_H -8.1588 kJ/mol # Calculated enthalpy of reaction NdF3 +3 F- + Nd+3 = NdF3 + -llnl_gamma 3 + log_k 9.8809 + -delta_H -8.1588 kJ/mol # Calculated enthalpy of reaction NdF3 # Enthalpy of formation: -408.9 kcal/mol - -analytic 5.2220e+002 1.4154e-001 -1.3697e+004 -2.0551e+002 -2.1388e+002 + -analytic 5.222e+2 1.4154e-1 -1.3697e+4 -2.0551e+2 -2.1388e+2 # -Range: 0-300 -4.0000 F- + 1.0000 Nd+++ = NdF4- - -llnl_gamma 4.0 - log_k +11.8307 - -delta_H -48.5344 kJ/mol # Calculated enthalpy of reaction NdF4- +4 F- + Nd+3 = NdF4- + -llnl_gamma 4 + log_k 11.8307 + -delta_H -48.5344 kJ/mol # Calculated enthalpy of reaction NdF4- # Enthalpy of formation: -498.7 kcal/mol - -analytic 6.1972e+002 1.4620e-001 -1.5869e+004 -2.4175e+002 -2.4780e+002 + -analytic 6.1972e+2 1.462e-1 -1.5869e+4 -2.4175e+2 -2.478e+2 # -Range: 0-300 -1.0000 Nd+++ + 1.0000 HPO4-- + 1.0000 H+ = NdH2PO4++ - -llnl_gamma 4.5 - log_k +9.5152 - -delta_H -15.736 kJ/mol # Calculated enthalpy of reaction NdH2PO4+2 +Nd+3 + HPO4-2 + H+ = NdH2PO4+2 + -llnl_gamma 4.5 + log_k 9.5152 + -delta_H -15.736 kJ/mol # Calculated enthalpy of reaction NdH2PO4+2 # Enthalpy of formation: -479.076 kcal/mol - -analytic 1.2450e+002 6.4953e-002 -4.0524e+002 -5.3728e+001 -6.3603e+000 + -analytic 1.245e+2 6.4953e-2 -4.0524e+2 -5.3728e+1 -6.3603e+0 # -Range: 0-300 -1.0000 Nd+++ + 1.0000 HCO3- = NdHCO3++ - -llnl_gamma 4.5 - log_k +1.8457 - -delta_H 9.19643 kJ/mol # Calculated enthalpy of reaction NdHCO3+2 +Nd+3 + HCO3- = NdHCO3+2 + -llnl_gamma 4.5 + log_k 1.8457 + -delta_H 9.19643 kJ/mol # Calculated enthalpy of reaction NdHCO3+2 # Enthalpy of formation: -329.2 kcal/mol - -analytic 5.5530e+001 3.3254e-002 -7.3859e+002 -2.4690e+001 -1.1542e+001 + -analytic 5.553e+1 3.3254e-2 -7.3859e+2 -2.469e+1 -1.1542e+1 # -Range: 0-300 -1.0000 Nd+++ + 1.0000 HPO4-- = NdHPO4+ - -llnl_gamma 4.0 - log_k +5.4000 - -delta_H 0 # Not possible to calculate enthalpy of reaction NdHPO4+ +Nd+3 + HPO4-2 = NdHPO4+ + -llnl_gamma 4 + log_k 5.4 + -delta_H 0 # Not possible to calculate enthalpy of reaction NdHPO4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 Nd+++ + 1.0000 NO3- = NdNO3++ - -llnl_gamma 4.5 - log_k +0.7902 - -delta_H -27.8529 kJ/mol # Calculated enthalpy of reaction NdNO3+2 + +Nd+3 + NO3- = NdNO3+2 + -llnl_gamma 4.5 + log_k 0.7902 + -delta_H -27.8529 kJ/mol # Calculated enthalpy of reaction NdNO3+2 # Enthalpy of formation: -222.586 kcal/mol - -analytic 3.3850e+001 2.7112e-002 1.4404e+003 -1.8570e+001 2.2466e+001 + -analytic 3.385e+1 2.7112e-2 1.4404e+3 -1.857e+1 2.2466e+1 # -Range: 0-300 -1.0000 Nd+++ + 1.0000 H2O = NdO+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -17.0701 - -delta_H 116.386 kJ/mol # Calculated enthalpy of reaction NdO+ +Nd+3 + H2O = NdO+ + 2 H+ + -llnl_gamma 4 + log_k -17.0701 + -delta_H 116.386 kJ/mol # Calculated enthalpy of reaction NdO+ # Enthalpy of formation: -207 kcal/mol - -analytic 1.8961e+002 3.0563e-002 -1.4153e+004 -6.8024e+001 -2.2089e+002 + -analytic 1.8961e+2 3.0563e-2 -1.4153e+4 -6.8024e+1 -2.2089e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Nd+++ = NdO2- +4.0000 H+ - -llnl_gamma 4.0 - log_k -37.0721 - -delta_H 298.88 kJ/mol # Calculated enthalpy of reaction NdO2- +2 H2O + Nd+3 = NdO2- + 4 H+ + -llnl_gamma 4 + log_k -37.0721 + -delta_H 298.88 kJ/mol # Calculated enthalpy of reaction NdO2- # Enthalpy of formation: -231.7 kcal/mol - -analytic 1.9606e+002 1.4784e-002 -2.1838e+004 -6.6399e+001 -3.4082e+002 + -analytic 1.9606e+2 1.4784e-2 -2.1838e+4 -6.6399e+1 -3.4082e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Nd+++ = NdO2H +3.0000 H+ - -llnl_gamma 3.0 - log_k -26.3702 - -delta_H 230.681 kJ/mol # Calculated enthalpy of reaction NdO2H +2 H2O + Nd+3 = NdO2H + 3 H+ + -llnl_gamma 3 + log_k -26.3702 + -delta_H 230.681 kJ/mol # Calculated enthalpy of reaction NdO2H # Enthalpy of formation: -248 kcal/mol - -analytic 3.4617e+002 4.5955e-002 -2.3960e+004 -1.2361e+002 -3.7398e+002 + -analytic 3.4617e+2 4.5955e-2 -2.396e+4 -1.2361e+2 -3.7398e+2 # -Range: 0-300 -1.0000 Nd+++ + 1.0000 H2O = NdOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -8.1274 - -delta_H 80.8223 kJ/mol # Calculated enthalpy of reaction NdOH+2 +Nd+3 + H2O = NdOH+2 + H+ + -llnl_gamma 4.5 + log_k -8.1274 + -delta_H 80.8223 kJ/mol # Calculated enthalpy of reaction NdOH+2 # Enthalpy of formation: -215.5 kcal/mol - -analytic 6.6963e+001 1.2182e-002 -6.2797e+003 -2.3300e+001 -9.8008e+001 + -analytic 6.6963e+1 1.2182e-2 -6.2797e+3 -2.33e+1 -9.8008e+1 # -Range: 0-300 -1.0000 Nd+++ + 1.0000 HPO4-- = NdPO4 +1.0000 H+ - -llnl_gamma 3.0 - log_k -0.5218 - -delta_H 0 # Not possible to calculate enthalpy of reaction NdPO4 +Nd+3 + HPO4-2 = NdPO4 + H+ + -llnl_gamma 3 + log_k -0.5218 + -delta_H 0 # Not possible to calculate enthalpy of reaction NdPO4 # Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Nd+++ = NdSO4+ - -llnl_gamma 4.0 - log_k +3.6430 - -delta_H 20.0832 kJ/mol # Calculated enthalpy of reaction NdSO4+ + +SO4-2 + Nd+3 = NdSO4+ + -llnl_gamma 4 + log_k 3.643 + -delta_H 20.0832 kJ/mol # Calculated enthalpy of reaction NdSO4+ # Enthalpy of formation: -379.1 kcal/mol - -analytic 3.0267e+002 8.5362e-002 -8.9211e+003 -1.1902e+002 -1.3929e+002 + -analytic 3.0267e+2 8.5362e-2 -8.9211e+3 -1.1902e+2 -1.3929e+2 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Ni++ = Ni(Acetate)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -7.1908 - -delta_H -25.8571 kJ/mol # Calculated enthalpy of reaction Ni(Acetate)2 +2 HAcetate + Ni+2 = Ni(Acetate)2 + 2 H+ + -llnl_gamma 3 + log_k -7.1908 + -delta_H -25.8571 kJ/mol # Calculated enthalpy of reaction Ni(Acetate)2 # Enthalpy of formation: -251.28 kcal/mol - -analytic -2.9660e+001 1.0643e-003 -1.0060e+003 7.9358e+000 5.2562e+005 + -analytic -2.966e+1 1.0643e-3 -1.006e+3 7.9358e+0 5.2562e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Ni++ = Ni(Acetate)3- +3.0000 H+ - -llnl_gamma 4.0 - log_k -11.3543 - -delta_H -53.6807 kJ/mol # Calculated enthalpy of reaction Ni(Acetate)3- +3 HAcetate + Ni+2 = Ni(Acetate)3- + 3 H+ + -llnl_gamma 4 + log_k -11.3543 + -delta_H -53.6807 kJ/mol # Calculated enthalpy of reaction Ni(Acetate)3- # Enthalpy of formation: -374.03 kcal/mol - -analytic 5.0850e+001 -8.2435e-003 -1.3049e+004 -1.5410e+001 1.9704e+006 + -analytic 5.085e+1 -8.2435e-3 -1.3049e+4 -1.541e+1 1.9704e+6 # -Range: 0-300 -2.0000 NH3 + 1.0000 Ni++ = Ni(NH3)2++ - -llnl_gamma 4.5 - log_k +5.0598 - -delta_H -29.7505 kJ/mol # Calculated enthalpy of reaction Ni(NH3)2+2 +2 NH3 + Ni+2 = Ni(NH3)2+2 + -llnl_gamma 4.5 + log_k 5.0598 + -delta_H -29.7505 kJ/mol # Calculated enthalpy of reaction Ni(NH3)2+2 # Enthalpy of formation: -246.398 kJ/mol - -analytic 1.0002e+002 5.2896e-003 -2.5967e+003 -3.5485e+001 -4.0548e+001 + -analytic 1.0002e+2 5.2896e-3 -2.5967e+3 -3.5485e+1 -4.0548e+1 # -Range: 0-300 -6.0000 NH3 + 1.0000 Ni++ = Ni(NH3)6++ - -llnl_gamma 4.5 - log_k +8.7344 - -delta_H -88.0436 kJ/mol # Calculated enthalpy of reaction Ni(NH3)6+2 +6 NH3 + Ni+2 = Ni(NH3)6+2 + -llnl_gamma 4.5 + log_k 8.7344 + -delta_H -88.0436 kJ/mol # Calculated enthalpy of reaction Ni(NH3)6+2 # Enthalpy of formation: -630.039 kJ/mol - -analytic 1.9406e+002 -1.3467e-002 -5.2321e+003 -6.6168e+001 -8.1699e+001 + -analytic 1.9406e+2 -1.3467e-2 -5.2321e+3 -6.6168e+1 -8.1699e+1 # -Range: 0-300 -2.0000 NO3- + 1.0000 Ni++ = Ni(NO3)2 - -llnl_gamma 3.0 - log_k +0.1899 - -delta_H -1.54153 kJ/mol # Calculated enthalpy of reaction Ni(NO3)2 +2 NO3- + Ni+2 = Ni(NO3)2 + -llnl_gamma 3 + log_k 0.1899 + -delta_H -1.54153 kJ/mol # Calculated enthalpy of reaction Ni(NO3)2 # Enthalpy of formation: -469.137 kJ/mol - -analytic -4.2544e+001 -1.0101e-002 1.3496e+003 1.6663e+001 2.2933e+001 -# -Range: 0-200 - -2.0000 H2O + 1.0000 Ni++ = Ni(OH)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -19.9902 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ni(OH)2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 H2O + 1.0000 Ni++ = Ni(OH)3- +3.0000 H+ - -llnl_gamma 4.0 - log_k -30.9852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ni(OH)3- -# Enthalpy of formation: -0 kcal/mol - -2.0000 Ni++ + 1.0000 H2O = Ni2OH+++ +1.0000 H+ - -llnl_gamma 5.0 - log_k -10.7 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ni2OH+3 -# Enthalpy of formation: -0 kcal/mol - -4.0000 Ni++ + 4.0000 H2O = Ni4(OH)4++++ +4.0000 H+ - -llnl_gamma 5.5 - log_k -27.6803 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ni4(OH)4+4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Ni++ + 1.0000 Br- = NiBr+ - -llnl_gamma 4.0 - log_k -0.37 - -delta_H 0 # Not possible to calculate enthalpy of reaction NiBr+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Ni++ + 1.0000 HAcetate = NiAcetate+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -3.3278 - -delta_H -10.2508 kJ/mol # Calculated enthalpy of reaction NiAcetate+ + -analytic -4.2544e+1 -1.0101e-2 1.3496e+3 1.6663e+1 2.2933e+1 +# -Range: 0-200 + +2 H2O + Ni+2 = Ni(OH)2 + 2 H+ + -llnl_gamma 3 + log_k -19.9902 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ni(OH)2 +# Enthalpy of formation: -0 kcal/mol + +3 H2O + Ni+2 = Ni(OH)3- + 3 H+ + -llnl_gamma 4 + log_k -30.9852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ni(OH)3- +# Enthalpy of formation: -0 kcal/mol + +2 Ni+2 + H2O = Ni2OH+3 + H+ + -llnl_gamma 5 + log_k -10.7 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ni2OH+3 +# Enthalpy of formation: -0 kcal/mol + +4 Ni+2 + 4 H2O = Ni4(OH)4+4 + 4 H+ + -llnl_gamma 5.5 + log_k -27.6803 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ni4(OH)4+4 +# Enthalpy of formation: -0 kcal/mol + +Ni+2 + Br- = NiBr+ + -llnl_gamma 4 + log_k -0.37 + -delta_H 0 # Not possible to calculate enthalpy of reaction NiBr+ +# Enthalpy of formation: -0 kcal/mol + +Ni+2 + HAcetate = NiAcetate+ + H+ + -llnl_gamma 4 + log_k -3.3278 + -delta_H -10.2508 kJ/mol # Calculated enthalpy of reaction NiAcetate+ # Enthalpy of formation: -131.45 kcal/mol - -analytic -3.3110e+000 1.6895e-003 -1.0556e+003 2.7168e-002 2.6350e+005 + -analytic -3.311e+0 1.6895e-3 -1.0556e+3 2.7168e-2 2.635e+5 # -Range: 0-300 -1.0000 Ni++ + 1.0000 Cl- = NiCl+ - -llnl_gamma 4.0 - log_k -0.9962 - -delta_H 5.99567 kJ/mol # Calculated enthalpy of reaction NiCl+ +Ni+2 + Cl- = NiCl+ + -llnl_gamma 4 + log_k -0.9962 + -delta_H 5.99567 kJ/mol # Calculated enthalpy of reaction NiCl+ # Enthalpy of formation: -51.4 kcal/mol - -analytic 9.5370e+001 3.8521e-002 -2.1746e+003 -4.0629e+001 -3.3961e+001 + -analytic 9.537e+1 3.8521e-2 -2.1746e+3 -4.0629e+1 -3.3961e+1 # -Range: 0-300 -2.0000 HPO4-- + 1.0000 Ni++ + 1.0000 H+ = NiHP2O7- +1.0000 H2O - -llnl_gamma 4.0 - log_k +9.2680 - -delta_H 0 # Not possible to calculate enthalpy of reaction NiHP2O7- +2 HPO4-2 + Ni+2 + H+ = NiHP2O7- + H2O + -llnl_gamma 4 + log_k 9.268 + -delta_H 0 # Not possible to calculate enthalpy of reaction NiHP2O7- # Enthalpy of formation: -0 kcal/mol - -1.0000 Ni++ + 1.0000 NO3- = NiNO3+ - -llnl_gamma 4.0 - log_k +0.4000 - -delta_H 0 # Not possible to calculate enthalpy of reaction NiNO3+ + +Ni+2 + NO3- = NiNO3+ + -llnl_gamma 4 + log_k 0.4 + -delta_H 0 # Not possible to calculate enthalpy of reaction NiNO3+ # Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Ni++ = NiP2O7-- +1.0000 H2O - -llnl_gamma 4.0 - log_k +3.1012 - -delta_H 9.68819 kJ/mol # Calculated enthalpy of reaction NiP2O7-2 + +2 HPO4-2 + Ni+2 = NiP2O7-2 + H2O + -llnl_gamma 4 + log_k 3.1012 + -delta_H 9.68819 kJ/mol # Calculated enthalpy of reaction NiP2O7-2 # Enthalpy of formation: -2342.61 kJ/mol - -analytic 4.6809e+002 1.0985e-001 -1.4310e+004 -1.8173e+002 -2.2344e+002 + -analytic 4.6809e+2 1.0985e-1 -1.431e+4 -1.8173e+2 -2.2344e+2 # -Range: 0-300 -1.0000 SO4-- + 1.0000 Ni++ = NiSO4 - -llnl_gamma 3.0 - log_k +2.1257 - -delta_H 2.36814 kJ/mol # Calculated enthalpy of reaction NiSO4 +SO4-2 + Ni+2 = NiSO4 + -llnl_gamma 3 + log_k 2.1257 + -delta_H 2.36814 kJ/mol # Calculated enthalpy of reaction NiSO4 # Enthalpy of formation: -229.734 kcal/mol - -analytic 6.1187e+001 2.4211e-002 -1.2180e+003 -2.5130e+001 -2.0705e+001 + -analytic 6.1187e+1 2.4211e-2 -1.218e+3 -2.513e+1 -2.0705e+1 # -Range: 0-200 -1.0000 SeO4-- + 1.0000 Ni++ = NiSeO4 - -llnl_gamma 3.0 - log_k +2.6700 - -delta_H 0 # Not possible to calculate enthalpy of reaction NiSeO4 +SeO4-2 + Ni+2 = NiSeO4 + -llnl_gamma 3 + log_k 2.67 + -delta_H 0 # Not possible to calculate enthalpy of reaction NiSeO4 # Enthalpy of formation: -0 kcal/mol - -5.0000 HCO3- + 1.0000 Np++++ = Np(CO3)5-6 +5.0000 H+ - -llnl_gamma 4.0 - log_k -13.344 - -delta_H 92.7067 kJ/mol # Calculated enthalpy of reaction Np(CO3)5-6 + +5 HCO3- + Np+4 = Np(CO3)5-6 + 5 H+ + -llnl_gamma 4 + log_k -13.344 + -delta_H 92.7067 kJ/mol # Calculated enthalpy of reaction Np(CO3)5-6 # Enthalpy of formation: -935.22 kcal/mol - -analytic 6.3005e+002 2.3388e-001 -1.8328e+004 -2.6334e+002 -2.8618e+002 + -analytic 6.3005e+2 2.3388e-1 -1.8328e+4 -2.6334e+2 -2.8618e+2 # -Range: 0-300 -2.0000 HPO4-- + 2.0000 H+ + 1.0000 Np+++ = Np(H2PO4)2+ - -llnl_gamma 4.0 - log_k +3.7000 - -delta_H -1.55258 kJ/mol # Calculated enthalpy of reaction Np(H2PO4)2+ +2 HPO4-2 + 2 H+ + Np+3 = Np(H2PO4)2+ + -llnl_gamma 4 + log_k 3.7 + -delta_H -1.55258 kJ/mol # Calculated enthalpy of reaction Np(H2PO4)2+ # Enthalpy of formation: -743.981 kcal/mol - -analytic 7.8161e+002 2.8446e-001 -1.2330e+004 -3.3194e+002 -2.1056e+002 + -analytic 7.8161e+2 2.8446e-1 -1.233e+4 -3.3194e+2 -2.1056e+2 # -Range: 25-150 -3.0000 HPO4-- + 3.0000 H+ + 1.0000 Np+++ = Np(H2PO4)3 - -llnl_gamma 3.0 - log_k +5.6000 - -delta_H -21.8575 kJ/mol # Calculated enthalpy of reaction Np(H2PO4)3 +3 HPO4-2 + 3 H+ + Np+3 = Np(H2PO4)3 + -llnl_gamma 3 + log_k 5.6 + -delta_H -21.8575 kJ/mol # Calculated enthalpy of reaction Np(H2PO4)3 # Enthalpy of formation: -1057.65 kcal/mol - -analytic 1.5150e+003 4.4939e-001 -3.2766e+004 -6.1975e+002 -5.5934e+002 + -analytic 1.515e+3 4.4939e-1 -3.2766e+4 -6.1975e+2 -5.5934e+2 # -Range: 25-150 -2.0000 HPO4-- + 1.0000 Np++++ = Np(HPO4)2 - -llnl_gamma 3.0 - log_k +23.7000 - -delta_H -35.24 kJ/mol # Calculated enthalpy of reaction Np(HPO4)2 +2 HPO4-2 + Np+4 = Np(HPO4)2 + -llnl_gamma 3 + log_k 23.7 + -delta_H -35.24 kJ/mol # Calculated enthalpy of reaction Np(HPO4)2 # Enthalpy of formation: -758.94 kcal/mol - -analytic 4.7722e+002 2.1099e-001 -4.7296e+003 -2.0229e+002 -8.0831e+001 + -analytic 4.7722e+2 2.1099e-1 -4.7296e+3 -2.0229e+2 -8.0831e+1 # -Range: 25-150 -3.0000 HPO4-- + 1.0000 Np++++ = Np(HPO4)3-- - -llnl_gamma 4.0 - log_k +33.4000 - -delta_H -44.9093 kJ/mol # Calculated enthalpy of reaction Np(HPO4)3-2 +3 HPO4-2 + Np+4 = Np(HPO4)3-2 + -llnl_gamma 4 + log_k 33.4 + -delta_H -44.9093 kJ/mol # Calculated enthalpy of reaction Np(HPO4)3-2 # Enthalpy of formation: -1070.07 kcal/mol - -analytic -1.5951e+003 -3.6579e-001 5.1343e+004 6.3262e+002 8.7619e+002 + -analytic -1.5951e+3 -3.6579e-1 5.1343e+4 6.3262e+2 8.7619e+2 # -Range: 25-150 -4.0000 HPO4-- + 1.0000 Np++++ = Np(HPO4)4---- - -llnl_gamma 4.0 - log_k +43.2000 - -delta_H -67.0803 kJ/mol # Calculated enthalpy of reaction Np(HPO4)4-4 +4 HPO4-2 + Np+4 = Np(HPO4)4-4 + -llnl_gamma 4 + log_k 43.2 + -delta_H -67.0803 kJ/mol # Calculated enthalpy of reaction Np(HPO4)4-4 # Enthalpy of formation: -1384.18 kcal/mol - -analytic 5.8359e+003 1.5194e+000 -1.6349e+005 -2.3025e+003 -2.7903e+003 + -analytic 5.8359e+3 1.5194e+0 -1.6349e+5 -2.3025e+3 -2.7903e+3 # -Range: 25-150 -5.0000 HPO4-- + 1.0000 Np++++ = Np(HPO4)5-6 - -llnl_gamma 4.0 - log_k +52.0000 - -delta_H -83.5401 kJ/mol # Calculated enthalpy of reaction Np(HPO4)5-6 +5 HPO4-2 + Np+4 = Np(HPO4)5-6 + -llnl_gamma 4 + log_k 52 + -delta_H -83.5401 kJ/mol # Calculated enthalpy of reaction Np(HPO4)5-6 # Enthalpy of formation: -1696.93 kcal/mol - -analytic -1.8082e+003 -2.0018e-001 7.5155e+004 6.7400e+002 1.2824e+003 + -analytic -1.8082e+3 -2.0018e-1 7.5155e+4 6.74e+2 1.2824e+3 # -Range: 25-150 -2.0000 H2O + 1.0000 Np++++ = Np(OH)2++ +2.0000 H+ - -llnl_gamma 4.5 - log_k -2.8 - -delta_H 77.0669 kJ/mol # Calculated enthalpy of reaction Np(OH)2+2 +2 H2O + Np+4 = Np(OH)2+2 + 2 H+ + -llnl_gamma 4.5 + log_k -2.8 + -delta_H 77.0669 kJ/mol # Calculated enthalpy of reaction Np(OH)2+2 # Enthalpy of formation: -251.102 kcal/mol - -analytic 2.9299e+003 6.5812e-001 -9.5085e+004 -1.1356e+003 -1.6227e+003 + -analytic 2.9299e+3 6.5812e-1 -9.5085e+4 -1.1356e+3 -1.6227e+3 # -Range: 25-150 -3.0000 H2O + 1.0000 Np++++ = Np(OH)3+ +3.0000 H+ - -llnl_gamma 4.0 - log_k -5.8 - -delta_H 99.5392 kJ/mol # Calculated enthalpy of reaction Np(OH)3+ +3 H2O + Np+4 = Np(OH)3+ + 3 H+ + -llnl_gamma 4 + log_k -5.8 + -delta_H 99.5392 kJ/mol # Calculated enthalpy of reaction Np(OH)3+ # Enthalpy of formation: -314.048 kcal/mol - -analytic -4.7723e+003 -1.1810e+000 1.3545e+005 1.8850e+003 2.3117e+003 + -analytic -4.7723e+3 -1.181e+0 1.3545e+5 1.885e+3 2.3117e+3 # -Range: 25-150 -4.0000 H2O + 1.0000 Np++++ = Np(OH)4 +4.0000 H+ - -llnl_gamma 3.0 - log_k -9.6 - -delta_H 109.585 kJ/mol # Calculated enthalpy of reaction Np(OH)4 +4 H2O + Np+4 = Np(OH)4 + 4 H+ + -llnl_gamma 3 + log_k -9.6 + -delta_H 109.585 kJ/mol # Calculated enthalpy of reaction Np(OH)4 # Enthalpy of formation: -379.964 kcal/mol - -analytic -5.5904e+003 -1.3639e+000 1.6112e+005 2.2013e+003 2.7498e+003 + -analytic -5.5904e+3 -1.3639e+0 1.6112e+5 2.2013e+3 2.7498e+3 # -Range: 25-150 -2.0000 SO4-- + 1.0000 Np++++ = Np(SO4)2 - -llnl_gamma 3.0 - log_k +9.9000 - -delta_H 40.005 kJ/mol # Calculated enthalpy of reaction Np(SO4)2 +2 SO4-2 + Np+4 = Np(SO4)2 + -llnl_gamma 3 + log_k 9.9 + -delta_H 40.005 kJ/mol # Calculated enthalpy of reaction Np(SO4)2 # Enthalpy of formation: -558.126 kcal/mol - -analytic -9.0765e+002 -1.8494e-001 2.7951e+004 3.5521e+002 4.7702e+002 + -analytic -9.0765e+2 -1.8494e-1 2.7951e+4 3.5521e+2 4.7702e+2 # -Range: 25-150 -1.0000 Np++++ + 1.0000 Cl- = NpCl+++ - -llnl_gamma 5.0 - log_k +0.2000 - -delta_H 20.3737 kJ/mol # Calculated enthalpy of reaction NpCl+3 +Np+4 + Cl- = NpCl+3 + -llnl_gamma 5 + log_k 0.2 + -delta_H 20.3737 kJ/mol # Calculated enthalpy of reaction NpCl+3 # Enthalpy of formation: -167.951 kcal/mol - -analytic 8.3169e+002 2.6267e-001 -2.1618e+004 -3.3838e+002 -3.6898e+002 + -analytic 8.3169e+2 2.6267e-1 -2.1618e+4 -3.3838e+2 -3.6898e+2 # -Range: 25-150 -2.0000 Cl- + 1.0000 Np++++ = NpCl2++ - -llnl_gamma 4.5 - log_k -0.1 - -delta_H 94.5853 kJ/mol # Calculated enthalpy of reaction NpCl2+2 +2 Cl- + Np+4 = NpCl2+2 + -llnl_gamma 4.5 + log_k -0.1 + -delta_H 94.5853 kJ/mol # Calculated enthalpy of reaction NpCl2+2 # Enthalpy of formation: -190.147 kcal/mol - -analytic -1.5751e+003 -3.8759e-001 4.2054e+004 6.2619e+002 7.1777e+002 + -analytic -1.5751e+3 -3.8759e-1 4.2054e+4 6.2619e+2 7.1777e+2 # -Range: 25-150 -1.0000 Np++++ + 1.0000 F- = NpF+++ - -llnl_gamma 5.0 - log_k +8.7000 - -delta_H -3.43746 kJ/mol # Calculated enthalpy of reaction NpF+3 +Np+4 + F- = NpF+3 + -llnl_gamma 5 + log_k 8.7 + -delta_H -3.43746 kJ/mol # Calculated enthalpy of reaction NpF+3 # Enthalpy of formation: -213.859 kcal/mol - -analytic 2.7613e+000 1.3498e-003 -1.6411e+003 2.9074e+000 3.4192e+005 + -analytic 2.7613e+0 1.3498e-3 -1.6411e+3 2.9074e+0 3.4192e+5 # -Range: 25-150 -2.0000 F- + 1.0000 Np++++ = NpF2++ - -llnl_gamma 4.5 - log_k +15.4000 - -delta_H 6.03094 kJ/mol # Calculated enthalpy of reaction NpF2+2 +2 F- + Np+4 = NpF2+2 + -llnl_gamma 4.5 + log_k 15.4 + -delta_H 6.03094 kJ/mol # Calculated enthalpy of reaction NpF2+2 # Enthalpy of formation: -291.746 kcal/mol - -analytic -2.6793e+002 -4.2056e-002 9.7952e+003 1.0629e+002 1.6715e+002 + -analytic -2.6793e+2 -4.2056e-2 9.7952e+3 1.0629e+2 1.6715e+2 # -Range: 25-150 -1.0000 Np+++ + 1.0000 HPO4-- + 1.0000 H+ = NpH2PO4++ - -llnl_gamma 4.5 - log_k +2.4000 - -delta_H 6.0874 kJ/mol # Calculated enthalpy of reaction NpH2PO4+2 +Np+3 + HPO4-2 + H+ = NpH2PO4+2 + -llnl_gamma 4.5 + log_k 2.4 + -delta_H 6.0874 kJ/mol # Calculated enthalpy of reaction NpH2PO4+2 # Enthalpy of formation: -433.34 kcal/mol - -analytic 6.0731e+003 1.4733e+000 -1.7919e+005 -2.3880e+003 -3.0582e+003 + -analytic 6.0731e+3 1.4733e+0 -1.7919e+5 -2.388e+3 -3.0582e+3 # -Range: 25-150 -1.0000 Np++++ + 1.0000 HPO4-- = NpHPO4++ - -llnl_gamma 4.5 - log_k +12.9000 - -delta_H 7.54554 kJ/mol # Calculated enthalpy of reaction NpHPO4+2 +Np+4 + HPO4-2 = NpHPO4+2 + -llnl_gamma 4.5 + log_k 12.9 + -delta_H 7.54554 kJ/mol # Calculated enthalpy of reaction NpHPO4+2 # Enthalpy of formation: -439.899 kcal/mol - -analytic -7.2792e+003 -1.7476e+000 2.1770e+005 2.8624e+003 3.7154e+003 + -analytic -7.2792e+3 -1.7476e+0 2.177e+5 2.8624e+3 3.7154e+3 # -Range: 25-150 -2.0000 HCO3- + 1.0000 NpO2++ = NpO2(CO3)2-- +2.0000 H+ - -llnl_gamma 4.0 - log_k -6.6576 - -delta_H 57.2588 kJ/mol # Calculated enthalpy of reaction NpO2(CO3)2-2 +2 HCO3- + NpO2+2 = NpO2(CO3)2-2 + 2 H+ + -llnl_gamma 4 + log_k -6.6576 + -delta_H 57.2588 kJ/mol # Calculated enthalpy of reaction NpO2(CO3)2-2 # Enthalpy of formation: -521.77 kcal/mol - -analytic 2.6597e+002 7.5850e-002 -9.9987e+003 -1.0576e+002 -1.5610e+002 + -analytic 2.6597e+2 7.585e-2 -9.9987e+3 -1.0576e+2 -1.561e+2 # -Range: 0-300 -2.0000 HCO3- + 1.0000 NpO2+ = NpO2(CO3)2--- +2.0000 H+ - -llnl_gamma 4.0 - log_k -13.6576 - -delta_H 58.1553 kJ/mol # Calculated enthalpy of reaction NpO2(CO3)2-3 +2 HCO3- + NpO2+ = NpO2(CO3)2-3 + 2 H+ + -llnl_gamma 4 + log_k -13.6576 + -delta_H 58.1553 kJ/mol # Calculated enthalpy of reaction NpO2(CO3)2-3 # Enthalpy of formation: -549.642 kcal/mol - -analytic 2.6012e+002 7.3174e-002 -1.0250e+004 -1.0556e+002 -1.6002e+002 + -analytic 2.6012e+2 7.3174e-2 -1.025e+4 -1.0556e+2 -1.6002e+2 # -Range: 0-300 -3.0000 HCO3- + 1.0000 NpO2+ = NpO2(CO3)3-5 +3.0000 H+ - -llnl_gamma 4.0 - log_k -22.4864 - -delta_H 70.176 kJ/mol # Calculated enthalpy of reaction NpO2(CO3)3-5 +3 HCO3- + NpO2+ = NpO2(CO3)3-5 + 3 H+ + -llnl_gamma 4 + log_k -22.4864 + -delta_H 70.176 kJ/mol # Calculated enthalpy of reaction NpO2(CO3)3-5 # Enthalpy of formation: -711.667 kcal/mol - -analytic 3.7433e+002 1.2938e-001 -1.2791e+004 -1.5861e+002 -1.9970e+002 + -analytic 3.7433e+2 1.2938e-1 -1.2791e+4 -1.5861e+2 -1.997e+2 # -Range: 0-300 -3.0000 HCO3- + 1.0000 NpO2++ = NpO2(CO3)3---- +3.0000 H+ - -llnl_gamma 4.0 - log_k -10.5864 - -delta_H 3.14711 kJ/mol # Calculated enthalpy of reaction NpO2(CO3)3-4 +3 HCO3- + NpO2+2 = NpO2(CO3)3-4 + 3 H+ + -llnl_gamma 4 + log_k -10.5864 + -delta_H 3.14711 kJ/mol # Calculated enthalpy of reaction NpO2(CO3)3-4 # Enthalpy of formation: -699.601 kcal/mol - -analytic 3.7956e+002 1.1163e-001 -1.0607e+004 -1.5674e+002 -1.6562e+002 + -analytic 3.7956e+2 1.1163e-1 -1.0607e+4 -1.5674e+2 -1.6562e+2 # -Range: 0-300 -1.0000 NpO2+ + 1.0000 HCO3- = NpO2CO3- +1.0000 H+ - -llnl_gamma 4.0 - log_k -5.7288 - -delta_H 69.1634 kJ/mol # Calculated enthalpy of reaction NpO2CO3- +NpO2+ + HCO3- = NpO2CO3- + H+ + -llnl_gamma 4 + log_k -5.7288 + -delta_H 69.1634 kJ/mol # Calculated enthalpy of reaction NpO2CO3- # Enthalpy of formation: -382.113 kcal/mol - -analytic 1.4634e+002 2.6576e-002 -8.2036e+003 -5.3534e+001 -1.2805e+002 + -analytic 1.4634e+2 2.6576e-2 -8.2036e+3 -5.3534e+1 -1.2805e+2 # -Range: 0-300 -1.0000 NpO2+ + 1.0000 Cl- = NpO2Cl - -llnl_gamma 3.0 - log_k -0.4 - -delta_H 15.4492 kJ/mol # Calculated enthalpy of reaction NpO2Cl +NpO2+ + Cl- = NpO2Cl + -llnl_gamma 3 + log_k -0.4 + -delta_H 15.4492 kJ/mol # Calculated enthalpy of reaction NpO2Cl # Enthalpy of formation: -269.986 kcal/mol - -analytic 4.5109e+002 9.0437e-002 -1.5453e+004 -1.7241e+002 -2.6371e+002 + -analytic 4.5109e+2 9.0437e-2 -1.5453e+4 -1.7241e+2 -2.6371e+2 # -Range: 25-150 -1.0000 NpO2++ + 1.0000 Cl- = NpO2Cl+ - -llnl_gamma 4.0 - log_k -0.2 - -delta_H 11.6239 kJ/mol # Calculated enthalpy of reaction NpO2Cl+ +NpO2+2 + Cl- = NpO2Cl+ + -llnl_gamma 4 + log_k -0.2 + -delta_H 11.6239 kJ/mol # Calculated enthalpy of reaction NpO2Cl+ # Enthalpy of formation: -242.814 kcal/mol - -analytic -1.2276e+003 -2.5435e-001 3.8507e+004 4.7447e+002 6.5715e+002 + -analytic -1.2276e+3 -2.5435e-1 3.8507e+4 4.7447e+2 6.5715e+2 # -Range: 25-150 -1.0000 NpO2+ + 1.0000 F- = NpO2F - -llnl_gamma 3.0 - log_k +1.0000 - -delta_H 34.2521 kJ/mol # Calculated enthalpy of reaction NpO2F +NpO2+ + F- = NpO2F + -llnl_gamma 3 + log_k 1 + -delta_H 34.2521 kJ/mol # Calculated enthalpy of reaction NpO2F # Enthalpy of formation: -305.709 kcal/mol - -analytic -1.9364e+002 -4.4083e-002 4.5602e+003 7.7791e+001 7.7840e+001 + -analytic -1.9364e+2 -4.4083e-2 4.5602e+3 7.7791e+1 7.784e+1 # -Range: 25-150 -1.0000 NpO2++ + 1.0000 F- = NpO2F+ - -llnl_gamma 4.0 - log_k +4.6000 - -delta_H 0.883568 kJ/mol # Calculated enthalpy of reaction NpO2F+ +NpO2+2 + F- = NpO2F+ + -llnl_gamma 4 + log_k 4.6 + -delta_H 0.883568 kJ/mol # Calculated enthalpy of reaction NpO2F+ # Enthalpy of formation: -285.598 kcal/mol - -analytic 9.6320e+002 2.4799e-001 -2.7614e+004 -3.7985e+002 -4.7128e+002 + -analytic 9.632e+2 2.4799e-1 -2.7614e+4 -3.7985e+2 -4.7128e+2 # -Range: 25-150 -2.0000 F- + 1.0000 NpO2++ = NpO2F2 - -llnl_gamma 3.0 - log_k +7.8000 - -delta_H 2.60319 kJ/mol # Calculated enthalpy of reaction NpO2F2 +2 F- + NpO2+2 = NpO2F2 + -llnl_gamma 3 + log_k 7.8 + -delta_H 2.60319 kJ/mol # Calculated enthalpy of reaction NpO2F2 # Enthalpy of formation: -365.337 kcal/mol - -analytic 1.9648e+002 6.4083e-002 -4.5601e+003 -7.7790e+001 -7.7840e+001 + -analytic 1.9648e+2 6.4083e-2 -4.5601e+3 -7.779e+1 -7.784e+1 # -Range: 25-150 -1.0000 NpO2+ + 1.0000 HPO4-- + 1.0000 H+ = NpO2H2PO4 - -llnl_gamma 3.0 - log_k +0.6000 - -delta_H 18.717 kJ/mol # Calculated enthalpy of reaction NpO2H2PO4 +NpO2+ + HPO4-2 + H+ = NpO2H2PO4 + -llnl_gamma 3 + log_k 0.6 + -delta_H 18.717 kJ/mol # Calculated enthalpy of reaction NpO2H2PO4 # Enthalpy of formation: -538.087 kcal/mol - -analytic 1.0890e+003 2.7738e-001 -3.0654e+004 -4.3171e+002 -5.2317e+002 + -analytic 1.089e+3 2.7738e-1 -3.0654e+4 -4.3171e+2 -5.2317e+2 # -Range: 25-150 -1.0000 NpO2++ + 1.0000 HPO4-- + 1.0000 H+ = NpO2H2PO4+ - -llnl_gamma 4.0 - log_k +2.3000 - -delta_H 9.31014 kJ/mol # Calculated enthalpy of reaction NpO2H2PO4+ +NpO2+2 + HPO4-2 + H+ = NpO2H2PO4+ + -llnl_gamma 4 + log_k 2.3 + -delta_H 9.31014 kJ/mol # Calculated enthalpy of reaction NpO2H2PO4+ # Enthalpy of formation: -512.249 kcal/mol - -analytic -5.6996e+003 -1.4008e+000 1.6898e+005 2.2441e+003 2.8838e+003 + -analytic -5.6996e+3 -1.4008e+0 1.6898e+5 2.2441e+3 2.8838e+3 # -Range: 25-150 -1.0000 NpO2++ + 1.0000 HPO4-- = NpO2HPO4 - -llnl_gamma 3.0 - log_k +8.2000 - -delta_H -6.47609 kJ/mol # Calculated enthalpy of reaction NpO2HPO4 +NpO2+2 + HPO4-2 = NpO2HPO4 + -llnl_gamma 3 + log_k 8.2 + -delta_H -6.47609 kJ/mol # Calculated enthalpy of reaction NpO2HPO4 # Enthalpy of formation: -516.022 kcal/mol - -analytic 4.8515e+003 1.2189e+000 -1.4069e+005 -1.9135e+003 -2.4011e+003 + -analytic 4.8515e+3 1.2189e+0 -1.4069e+5 -1.9135e+3 -2.4011e+3 # -Range: 25-150 -1.0000 NpO2+ + 1.0000 HPO4-- = NpO2HPO4- - -llnl_gamma 4.0 - log_k +3.5000 - -delta_H 49.8668 kJ/mol # Calculated enthalpy of reaction NpO2HPO4- +NpO2+ + HPO4-2 = NpO2HPO4- + -llnl_gamma 4 + log_k 3.5 + -delta_H 49.8668 kJ/mol # Calculated enthalpy of reaction NpO2HPO4- # Enthalpy of formation: -530.642 kcal/mol - -analytic -4.1705e+003 -9.9302e-001 1.2287e+005 1.6399e+003 2.0969e+003 + -analytic -4.1705e+3 -9.9302e-1 1.2287e+5 1.6399e+3 2.0969e+3 # -Range: 25-150 -1.0000 NpO2+ + 1.0000 H2O = NpO2OH +1.0000 H+ - -llnl_gamma 3.0 - log_k -8.9 - -delta_H 43.6285 kJ/mol # Calculated enthalpy of reaction NpO2OH +NpO2+ + H2O = NpO2OH + H+ + -llnl_gamma 3 + log_k -8.9 + -delta_H 43.6285 kJ/mol # Calculated enthalpy of reaction NpO2OH # Enthalpy of formation: -291.635 kcal/mol - -analytic -4.5710e+002 -1.2286e-001 1.0640e+004 1.8151e+002 1.8163e+002 + -analytic -4.571e+2 -1.2286e-1 1.064e+4 1.8151e+2 1.8163e+2 # -Range: 25-150 -1.0000 NpO2++ + 1.0000 H2O = NpO2OH+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -5.2 - -delta_H 43.3805 kJ/mol # Calculated enthalpy of reaction NpO2OH+ +NpO2+2 + H2O = NpO2OH+ + H+ + -llnl_gamma 4 + log_k -5.2 + -delta_H 43.3805 kJ/mol # Calculated enthalpy of reaction NpO2OH+ # Enthalpy of formation: -263.608 kcal/mol - -analytic 1.7485e+002 4.0017e-002 -7.5154e+003 -6.7399e+001 -1.2823e+002 + -analytic 1.7485e+2 4.0017e-2 -7.5154e+3 -6.7399e+1 -1.2823e+2 # -Range: 25-150 -1.0000 SO4-- + 1.0000 NpO2++ = NpO2SO4 - -llnl_gamma 3.0 - log_k +3.3000 - -delta_H 19.8789 kJ/mol # Calculated enthalpy of reaction NpO2SO4 +SO4-2 + NpO2+2 = NpO2SO4 + -llnl_gamma 3 + log_k 3.3 + -delta_H 19.8789 kJ/mol # Calculated enthalpy of reaction NpO2SO4 # Enthalpy of formation: -418.308 kcal/mol - -analytic -1.5624e+002 7.3296e-003 6.7555e+003 5.4435e+001 1.1527e+002 + -analytic -1.5624e+2 7.3296e-3 6.7555e+3 5.4435e+1 1.1527e+2 # -Range: 25-150 -1.0000 SO4-- + 1.0000 NpO2+ = NpO2SO4- - -llnl_gamma 4.0 - log_k +0.4000 - -delta_H 19.1395 kJ/mol # Calculated enthalpy of reaction NpO2SO4- +SO4-2 + NpO2+ = NpO2SO4- + -llnl_gamma 4 + log_k 0.4 + -delta_H 19.1395 kJ/mol # Calculated enthalpy of reaction NpO2SO4- # Enthalpy of formation: -446.571 kcal/mol - -analytic -3.1804e+002 -9.3472e-002 7.6002e+003 1.2965e+002 1.2973e+002 + -analytic -3.1804e+2 -9.3472e-2 7.6002e+3 1.2965e+2 1.2973e+2 # -Range: 25-150 -1.0000 Np+++ + 1.0000 H2O = NpOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -7 - -delta_H 50.1031 kJ/mol # Calculated enthalpy of reaction NpOH+2 +Np+3 + H2O = NpOH+2 + H+ + -llnl_gamma 4.5 + log_k -7 + -delta_H 50.1031 kJ/mol # Calculated enthalpy of reaction NpOH+2 # Enthalpy of formation: -182.322 kcal/mol - -analytic 1.4062e+002 3.2671e-002 -6.7555e+003 -5.4435e+001 -1.1526e+002 + -analytic 1.4062e+2 3.2671e-2 -6.7555e+3 -5.4435e+1 -1.1526e+2 # -Range: 25-150 -1.0000 Np++++ + 1.0000 H2O = NpOH+++ +1.0000 H+ - -llnl_gamma 5.0 - log_k -1 - -delta_H 51.0089 kJ/mol # Calculated enthalpy of reaction NpOH+3 +Np+4 + H2O = NpOH+3 + H+ + -llnl_gamma 5 + log_k -1 + -delta_H 51.0089 kJ/mol # Calculated enthalpy of reaction NpOH+3 # Enthalpy of formation: -189.013 kcal/mol - -analytic -1.8373e+002 -5.2443e-002 2.7025e+003 7.6503e+001 4.6154e+001 + -analytic -1.8373e+2 -5.2443e-2 2.7025e+3 7.6503e+1 4.6154e+1 # -Range: 25-150 -1.0000 SO4-- + 1.0000 Np++++ = NpSO4++ - -llnl_gamma 4.5 - log_k +5.5000 - -delta_H 20.7377 kJ/mol # Calculated enthalpy of reaction NpSO4+2 +SO4-2 + Np+4 = NpSO4+2 + -llnl_gamma 4.5 + log_k 5.5 + -delta_H 20.7377 kJ/mol # Calculated enthalpy of reaction NpSO4+2 # Enthalpy of formation: -345.331 kcal/mol - -analytic 3.9477e+002 1.1981e-001 -1.0978e+004 -1.5687e+002 -1.8736e+002 + -analytic 3.9477e+2 1.1981e-1 -1.0978e+4 -1.5687e+2 -1.8736e+2 # -Range: 25-150 -1.0000 H2O = OH- +1.0000 H+ - -llnl_gamma 3.5 - log_k -13.9951 - -delta_H 55.8146 kJ/mol # Calculated enthalpy of reaction OH- +H2O = OH- + H+ + -llnl_gamma 3.5 + log_k -13.9951 + -delta_H 55.8146 kJ/mol # Calculated enthalpy of reaction OH- # Enthalpy of formation: -54.977 kcal/mol - -analytic -6.7506e+001 -3.0619e-002 -1.9901e+003 2.8004e+001 -3.1033e+001 + -analytic -6.7506e+1 -3.0619e-2 -1.9901e+3 2.8004e+1 -3.1033e+1 # -Range: 0-300 -2.0000 HPO4-- = P2O7---- +1.0000 H2O - -llnl_gamma 4.0 - log_k -3.7463 - -delta_H 27.2256 kJ/mol # Calculated enthalpy of reaction P2O7-4 +2 HPO4-2 = P2O7-4 + H2O + -llnl_gamma 4 + log_k -3.7463 + -delta_H 27.2256 kJ/mol # Calculated enthalpy of reaction P2O7-4 # Enthalpy of formation: -2271.1 kJ/mol - -analytic 4.0885e+002 1.3243e-001 -1.1373e+004 -1.6727e+002 -1.7758e+002 + -analytic 4.0885e+2 1.3243e-1 -1.1373e+4 -1.6727e+2 -1.7758e+2 # -Range: 0-300 -3.0000 H+ + 1.0000 HPO4-- = PH4+ +2.0000 O2 - -llnl_gamma 4.0 - log_k -212.7409 - -delta_H 0 # Not possible to calculate enthalpy of reaction PH4+ +3 H+ + HPO4-2 = PH4+ + 2 O2 + -llnl_gamma 4 + log_k -212.7409 + -delta_H 0 # Not possible to calculate enthalpy of reaction PH4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 HPO4-- + 1.0000 H+ + 1.0000 F- = PO3F-- +1.0000 H2O - -llnl_gamma 4.0 - log_k +7.1993 - -delta_H 0 # Not possible to calculate enthalpy of reaction PO3F-2 + +HPO4-2 + H+ + F- = PO3F-2 + H2O + -llnl_gamma 4 + log_k 7.1993 + -delta_H 0 # Not possible to calculate enthalpy of reaction PO3F-2 # Enthalpy of formation: -0 kcal/mol - -1.0000 HPO4-- = PO4--- +1.0000 H+ - -llnl_gamma 4.0 - log_k -12.3218 - -delta_H 14.7068 kJ/mol # Calculated enthalpy of reaction PO4-3 + +HPO4-2 = PO4-3 + H+ + -llnl_gamma 4 + log_k -12.3218 + -delta_H 14.7068 kJ/mol # Calculated enthalpy of reaction PO4-3 # Enthalpy of formation: -305.3 kcal/mol - -analytic -7.6170e+001 -3.3574e-002 1.3405e+002 2.9658e+001 2.1140e+000 + -analytic -7.617e+1 -3.3574e-2 1.3405e+2 2.9658e+1 2.114e+0 # -Range: 0-300 -2.0000 BrO3- + 1.0000 Pb++ = Pb(BrO3)2 - -llnl_gamma 3.0 - log_k +5.1939 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(BrO3)2 +2 BrO3- + Pb+2 = Pb(BrO3)2 + -llnl_gamma 3 + log_k 5.1939 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(BrO3)2 # Enthalpy of formation: -0 kcal/mol - -2.0000 HAcetate + 1.0000 Pb++ = Pb(Acetate)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -6.1133 - -delta_H 10.5437 kJ/mol # Calculated enthalpy of reaction Pb(Acetate)2 + +2 HAcetate + Pb+2 = Pb(Acetate)2 + 2 H+ + -llnl_gamma 3 + log_k -6.1133 + -delta_H 10.5437 kJ/mol # Calculated enthalpy of reaction Pb(Acetate)2 # Enthalpy of formation: -229.46 kcal/mol - -analytic -1.7315e+001 -1.0618e-003 -3.6365e+003 6.9263e+000 5.8659e+005 + -analytic -1.7315e+1 -1.0618e-3 -3.6365e+3 6.9263e+0 5.8659e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Pb++ = Pb(Acetate)3- +3.0000 H+ - -llnl_gamma 4.0 - log_k -8.972 - -delta_H -2.84512 kJ/mol # Calculated enthalpy of reaction Pb(Acetate)3- +3 HAcetate + Pb+2 = Pb(Acetate)3- + 3 H+ + -llnl_gamma 4 + log_k -8.972 + -delta_H -2.84512 kJ/mol # Calculated enthalpy of reaction Pb(Acetate)3- # Enthalpy of formation: -348.76 kcal/mol - -analytic 1.2417e+001 -3.1481e-003 -9.4152e+003 -1.6846e+000 1.3623e+006 -# -Range: 0-300 - -2.0000 HCO3- + 1.0000 Pb++ = Pb(CO3)2-- +2.0000 H+ - -llnl_gamma 4.0 - log_k -11.2576 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(CO3)2-2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 ClO3- + 1.0000 Pb++ = Pb(ClO3)2 - -llnl_gamma 3.0 - log_k -0.5133 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(ClO3)2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 Pb++ = Pb(OH)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -17.0902 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(OH)2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 H2O + 1.0000 Pb++ = Pb(OH)3- +3.0000 H+ - -llnl_gamma 4.0 - log_k -28.0852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(OH)3- -# Enthalpy of formation: -0 kcal/mol - -2.0000 Thiocyanate- + 1.0000 Pb++ = Pb(Thiocyanate)2 - -llnl_gamma 3.0 - log_k +1.2455 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(Thiocyanate)2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 Pb++ + 1.0000 H2O = Pb2OH+++ +1.0000 H+ - -llnl_gamma 5.0 - log_k -6.3951 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pb2OH+3 -# Enthalpy of formation: -0 kcal/mol - -4.0000 H2O + 3.0000 Pb++ = Pb3(OH)4++ +4.0000 H+ - -llnl_gamma 4.5 - log_k -23.8803 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pb3(OH)4+2 -# Enthalpy of formation: -0 kcal/mol - -4.0000 Pb++ + 4.0000 H2O = Pb4(OH)4++++ +4.0000 H+ - -llnl_gamma 5.5 - log_k -20.8803 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pb4(OH)4+4 -# Enthalpy of formation: -0 kcal/mol - -8.0000 H2O + 6.0000 Pb++ = Pb6(OH)8++++ +8.0000 H+ - -llnl_gamma 5.5 - log_k -43.5606 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pb6(OH)8+4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pb++ + 1.0000 Br- = PbBr+ - -llnl_gamma 4.0 - log_k +1.1831 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbBr+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 Br- + 1.0000 Pb++ = PbBr2 - -llnl_gamma 3.0 - log_k +1.5062 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbBr2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 Br- + 1.0000 Pb++ = PbBr3- - -llnl_gamma 4.0 - log_k +1.2336 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbBr3- -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pb++ + 1.0000 BrO3- = PbBrO3+ - -llnl_gamma 4.0 - log_k +1.9373 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbBrO3+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pb++ + 1.0000 HAcetate = PbAcetate+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.3603 - -delta_H -2.33147e-15 kJ/mol # Calculated enthalpy of reaction PbAcetate+ + -analytic 1.2417e+1 -3.1481e-3 -9.4152e+3 -1.6846e+0 1.3623e+6 +# -Range: 0-300 + +2 HCO3- + Pb+2 = Pb(CO3)2-2 + 2 H+ + -llnl_gamma 4 + log_k -11.2576 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(CO3)2-2 +# Enthalpy of formation: -0 kcal/mol + +2 ClO3- + Pb+2 = Pb(ClO3)2 + -llnl_gamma 3 + log_k -0.5133 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(ClO3)2 +# Enthalpy of formation: -0 kcal/mol + +2 H2O + Pb+2 = Pb(OH)2 + 2 H+ + -llnl_gamma 3 + log_k -17.0902 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(OH)2 +# Enthalpy of formation: -0 kcal/mol + +3 H2O + Pb+2 = Pb(OH)3- + 3 H+ + -llnl_gamma 4 + log_k -28.0852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(OH)3- +# Enthalpy of formation: -0 kcal/mol + +2 Thiocyanate- + Pb+2 = Pb(Thiocyanate)2 + -llnl_gamma 3 + log_k 1.2455 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(Thiocyanate)2 +# Enthalpy of formation: -0 kcal/mol + +2 Pb+2 + H2O = Pb2OH+3 + H+ + -llnl_gamma 5 + log_k -6.3951 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pb2OH+3 +# Enthalpy of formation: -0 kcal/mol + +4 H2O + 3 Pb+2 = Pb3(OH)4+2 + 4 H+ + -llnl_gamma 4.5 + log_k -23.8803 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pb3(OH)4+2 +# Enthalpy of formation: -0 kcal/mol + +4 Pb+2 + 4 H2O = Pb4(OH)4+4 + 4 H+ + -llnl_gamma 5.5 + log_k -20.8803 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pb4(OH)4+4 +# Enthalpy of formation: -0 kcal/mol + +8 H2O + 6 Pb+2 = Pb6(OH)8+4 + 8 H+ + -llnl_gamma 5.5 + log_k -43.5606 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pb6(OH)8+4 +# Enthalpy of formation: -0 kcal/mol + +Pb+2 + Br- = PbBr+ + -llnl_gamma 4 + log_k 1.1831 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbBr+ +# Enthalpy of formation: -0 kcal/mol + +2 Br- + Pb+2 = PbBr2 + -llnl_gamma 3 + log_k 1.5062 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbBr2 +# Enthalpy of formation: -0 kcal/mol + +3 Br- + Pb+2 = PbBr3- + -llnl_gamma 4 + log_k 1.2336 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbBr3- +# Enthalpy of formation: -0 kcal/mol + +Pb+2 + BrO3- = PbBrO3+ + -llnl_gamma 4 + log_k 1.9373 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbBrO3+ +# Enthalpy of formation: -0 kcal/mol + +Pb+2 + HAcetate = PbAcetate+ + H+ + -llnl_gamma 4 + log_k -2.3603 + -delta_H -2.33147e-15 kJ/mol # Calculated enthalpy of reaction PbAcetate+ # Enthalpy of formation: -115.88 kcal/mol - -analytic -2.6822e+001 1.0992e-003 7.3688e+002 8.4407e+000 7.0266e+004 + -analytic -2.6822e+1 1.0992e-3 7.3688e+2 8.4407e+0 7.0266e+4 # -Range: 0-300 -1.0000 Pb++ + 1.0000 HCO3- = PbCO3 +1.0000 H+ - -llnl_gamma 3.0 - log_k -3.7488 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbCO3 +Pb+2 + HCO3- = PbCO3 + H+ + -llnl_gamma 3 + log_k -3.7488 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbCO3 # Enthalpy of formation: -0 kcal/mol - -1.0000 Pb++ + 1.0000 Cl- = PbCl+ - -llnl_gamma 4.0 - log_k +1.4374 - -delta_H 4.53127 kJ/mol # Calculated enthalpy of reaction PbCl+ + +Pb+2 + Cl- = PbCl+ + -llnl_gamma 4 + log_k 1.4374 + -delta_H 4.53127 kJ/mol # Calculated enthalpy of reaction PbCl+ # Enthalpy of formation: -38.63 kcal/mol - -analytic 1.1948e+002 4.3527e-002 -2.7666e+003 -4.9190e+001 -4.3206e+001 + -analytic 1.1948e+2 4.3527e-2 -2.7666e+3 -4.919e+1 -4.3206e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Pb++ = PbCl2 - -llnl_gamma 3.0 - log_k +2.0026 - -delta_H 8.14206 kJ/mol # Calculated enthalpy of reaction PbCl2 +2 Cl- + Pb+2 = PbCl2 + -llnl_gamma 3 + log_k 2.0026 + -delta_H 8.14206 kJ/mol # Calculated enthalpy of reaction PbCl2 # Enthalpy of formation: -77.7 kcal/mol - -analytic 2.2537e+002 7.7574e-002 -5.5112e+003 -9.2131e+001 -8.6064e+001 + -analytic 2.2537e+2 7.7574e-2 -5.5112e+3 -9.2131e+1 -8.6064e+1 # -Range: 0-300 -3.0000 Cl- + 1.0000 Pb++ = PbCl3- - -llnl_gamma 4.0 - log_k +1.6881 - -delta_H 7.86174 kJ/mol # Calculated enthalpy of reaction PbCl3- +3 Cl- + Pb+2 = PbCl3- + -llnl_gamma 4 + log_k 1.6881 + -delta_H 7.86174 kJ/mol # Calculated enthalpy of reaction PbCl3- # Enthalpy of formation: -117.7 kcal/mol - -analytic 2.5254e+002 8.9159e-002 -6.0116e+003 -1.0395e+002 -9.3880e+001 + -analytic 2.5254e+2 8.9159e-2 -6.0116e+3 -1.0395e+2 -9.388e+1 # -Range: 0-300 -4.0000 Cl- + 1.0000 Pb++ = PbCl4-- - -llnl_gamma 4.0 - log_k +1.4909 - -delta_H -7.18811 kJ/mol # Calculated enthalpy of reaction PbCl4-2 +4 Cl- + Pb+2 = PbCl4-2 + -llnl_gamma 4 + log_k 1.4909 + -delta_H -7.18811 kJ/mol # Calculated enthalpy of reaction PbCl4-2 # Enthalpy of formation: -161.23 kcal/mol - -analytic 1.4048e+002 7.6332e-002 -1.1507e+003 -6.3786e+001 -1.7997e+001 -# -Range: 0-300 - -1.0000 Pb++ + 1.0000 ClO3- = PbClO3+ - -llnl_gamma 4.0 - log_k -0.2208 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbClO3+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pb++ + 1.0000 F- = PbF+ - -llnl_gamma 4.0 - log_k +0.8284 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbF+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 F- + 1.0000 Pb++ = PbF2 - -llnl_gamma 3.0 - log_k +1.6132 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbF2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pb++ + 1.0000 HPO4-- + 1.0000 H+ = PbH2PO4+ - -llnl_gamma 4.0 - log_k +1.5000 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbH2PO4+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pb++ + 1.0000 HPO4-- = PbHPO4 - -llnl_gamma 3.0 - log_k +3.1000 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbHPO4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pb++ + 1.0000 I- = PbI+ - -llnl_gamma 4.0 - log_k +1.9597 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbI+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 I- + 1.0000 Pb++ = PbI2 - -llnl_gamma 3.0 - log_k +2.7615 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbI2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 I- + 1.0000 Pb++ = PbI3- - -llnl_gamma 4.0 - log_k +3.3355 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbI3- -# Enthalpy of formation: -0 kcal/mol - -4.0000 I- + 1.0000 Pb++ = PbI4-- - -llnl_gamma 4.0 - log_k +4.0672 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbI4-2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pb++ + 1.0000 NO3- = PbNO3+ - -llnl_gamma 4.0 - log_k +1.2271 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbNO3+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pb++ + 1.0000 H2O = PbOH+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -7.6951 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbOH+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Pb++ = PbP2O7-- +1.0000 H2O - -llnl_gamma 4.0 - log_k +7.4136 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbP2O7-2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Thiocyanate- + 1.0000 Pb++ = PbThiocyanate+ - -llnl_gamma 4.0 - log_k +0.9827 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbThiocyanate+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pd++ + 1.0000 Cl- = PdCl+ - -llnl_gamma 4.0 - log_k +6.0993 - -delta_H -31.995 kJ/mol # Calculated enthalpy of reaction PdCl+ + -analytic 1.4048e+2 7.6332e-2 -1.1507e+3 -6.3786e+1 -1.7997e+1 +# -Range: 0-300 + +Pb+2 + ClO3- = PbClO3+ + -llnl_gamma 4 + log_k -0.2208 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbClO3+ +# Enthalpy of formation: -0 kcal/mol + +Pb+2 + F- = PbF+ + -llnl_gamma 4 + log_k 0.8284 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbF+ +# Enthalpy of formation: -0 kcal/mol + +2 F- + Pb+2 = PbF2 + -llnl_gamma 3 + log_k 1.6132 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbF2 +# Enthalpy of formation: -0 kcal/mol + +Pb+2 + HPO4-2 + H+ = PbH2PO4+ + -llnl_gamma 4 + log_k 1.5 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbH2PO4+ +# Enthalpy of formation: -0 kcal/mol + +Pb+2 + HPO4-2 = PbHPO4 + -llnl_gamma 3 + log_k 3.1 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbHPO4 +# Enthalpy of formation: -0 kcal/mol + +Pb+2 + I- = PbI+ + -llnl_gamma 4 + log_k 1.9597 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbI+ +# Enthalpy of formation: -0 kcal/mol + +2 I- + Pb+2 = PbI2 + -llnl_gamma 3 + log_k 2.7615 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbI2 +# Enthalpy of formation: -0 kcal/mol + +3 I- + Pb+2 = PbI3- + -llnl_gamma 4 + log_k 3.3355 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbI3- +# Enthalpy of formation: -0 kcal/mol + +4 I- + Pb+2 = PbI4-2 + -llnl_gamma 4 + log_k 4.0672 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbI4-2 +# Enthalpy of formation: -0 kcal/mol + +Pb+2 + NO3- = PbNO3+ + -llnl_gamma 4 + log_k 1.2271 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbNO3+ +# Enthalpy of formation: -0 kcal/mol + +Pb+2 + H2O = PbOH+ + H+ + -llnl_gamma 4 + log_k -7.6951 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbOH+ +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Pb+2 = PbP2O7-2 + H2O + -llnl_gamma 4 + log_k 7.4136 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbP2O7-2 +# Enthalpy of formation: -0 kcal/mol + +Thiocyanate- + Pb+2 = PbThiocyanate+ + -llnl_gamma 4 + log_k 0.9827 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbThiocyanate+ +# Enthalpy of formation: -0 kcal/mol + +Pd+2 + Cl- = PdCl+ + -llnl_gamma 4 + log_k 6.0993 + -delta_H -31.995 kJ/mol # Calculated enthalpy of reaction PdCl+ # Enthalpy of formation: -5.5 kcal/mol - -analytic 7.2852e+001 3.6886e-002 7.3102e+002 -3.2402e+001 1.1385e+001 + -analytic 7.2852e+1 3.6886e-2 7.3102e+2 -3.2402e+1 1.1385e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Pd++ = PdCl2 - -llnl_gamma 3.0 - log_k +10.7327 - -delta_H -66.1658 kJ/mol # Calculated enthalpy of reaction PdCl2 +2 Cl- + Pd+2 = PdCl2 + -llnl_gamma 3 + log_k 10.7327 + -delta_H -66.1658 kJ/mol # Calculated enthalpy of reaction PdCl2 # Enthalpy of formation: -53.6 kcal/mol - -analytic 1.6849e+002 7.9321e-002 8.2874e+002 -7.4416e+001 1.2882e+001 + -analytic 1.6849e+2 7.9321e-2 8.2874e+2 -7.4416e+1 1.2882e+1 # -Range: 0-300 -3.0000 Cl- + 1.0000 Pd++ = PdCl3- - -llnl_gamma 4.0 - log_k +13.0937 - -delta_H -101.592 kJ/mol # Calculated enthalpy of reaction PdCl3- +3 Cl- + Pd+2 = PdCl3- + -llnl_gamma 4 + log_k 13.0937 + -delta_H -101.592 kJ/mol # Calculated enthalpy of reaction PdCl3- # Enthalpy of formation: -102 kcal/mol - -analytic 4.5978e+001 6.2999e-002 6.9333e+003 -3.0257e+001 1.0817e+002 + -analytic 4.5978e+1 6.2999e-2 6.9333e+3 -3.0257e+1 1.0817e+2 # -Range: 0-300 -4.0000 Cl- + 1.0000 Pd++ = PdCl4-- - -llnl_gamma 4.0 - log_k +15.1615 - -delta_H -152.08 kJ/mol # Calculated enthalpy of reaction PdCl4-2 +4 Cl- + Pd+2 = PdCl4-2 + -llnl_gamma 4 + log_k 15.1615 + -delta_H -152.08 kJ/mol # Calculated enthalpy of reaction PdCl4-2 # Enthalpy of formation: -154 kcal/mol - -analytic -3.2209e+001 5.3432e-002 1.2180e+004 -3.7814e+000 1.9006e+002 + -analytic -3.2209e+1 5.3432e-2 1.218e+4 -3.7814e+0 1.9006e+2 # -Range: 0-300 -1.0000 Pd++ + 1.0000 H2O = PdO +2.0000 H+ - -llnl_gamma 3.0 - log_k -2.19 - -delta_H 6.43081 kJ/mol # Calculated enthalpy of reaction PdO +Pd+2 + H2O = PdO + 2 H+ + -llnl_gamma 3 + log_k -2.19 + -delta_H 6.43081 kJ/mol # Calculated enthalpy of reaction PdO # Enthalpy of formation: -24.7 kcal/mol - -analytic 1.3587e+002 2.9292e-002 -4.6645e+003 -5.2997e+001 -7.2825e+001 + -analytic 1.3587e+2 2.9292e-2 -4.6645e+3 -5.2997e+1 -7.2825e+1 # -Range: 0-300 -1.0000 Pd++ + 1.0000 H2O = PdOH+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -1.0905 - -delta_H -3.19239 kJ/mol # Calculated enthalpy of reaction PdOH+ +Pd+2 + H2O = PdOH+ + H+ + -llnl_gamma 4 + log_k -1.0905 + -delta_H -3.19239 kJ/mol # Calculated enthalpy of reaction PdOH+ # Enthalpy of formation: -27 kcal/mol - -analytic 1.4291e+001 5.8382e-003 -1.9881e+002 -6.6475e+000 -3.1065e+000 -# -Range: 0-300 - -2.0000 HCO3- + 1.0000 Pm+++ = Pm(CO3)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -7.9576 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(CO3)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Pm+++ = Pm(HPO4)2- - -llnl_gamma 4.0 - log_k +9.2000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(HPO4)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 Pm+++ = Pm(OH)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -16.7902 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(OH)2+ -# Enthalpy of formation: -0 kcal/mol - -3.0000 H2O + 1.0000 Pm+++ = Pm(OH)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -26.1852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(OH)3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Pm+++ = Pm(PO4)2--- +2.0000 H+ - -llnl_gamma 4.0 - log_k -4.6837 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(PO4)2-3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 Pm+++ = Pm(SO4)2- - -llnl_gamma 4.0 - log_k +5.2000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(SO4)2- -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pm+++ + 1.0000 HCO3- = PmCO3+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.6288 - -delta_H 0 # Not possible to calculate enthalpy of reaction PmCO3+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pm+++ + 1.0000 Cl- = PmCl++ - -llnl_gamma 4.5 - log_k +0.3400 - -delta_H 0 # Not possible to calculate enthalpy of reaction PmCl+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pm+++ + 1.0000 F- = PmF++ - -llnl_gamma 4.5 - log_k +3.8000 - -delta_H 0 # Not possible to calculate enthalpy of reaction PmF+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pm+++ + 1.0000 HPO4-- + 1.0000 H+ = PmH2PO4++ - -llnl_gamma 4.5 - log_k +9.6054 - -delta_H 0 # Not possible to calculate enthalpy of reaction PmH2PO4+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pm+++ + 1.0000 HCO3- = PmHCO3++ - -llnl_gamma 4.5 - log_k +2.1000 - -delta_H 0 # Not possible to calculate enthalpy of reaction PmHCO3+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pm+++ + 1.0000 HPO4-- = PmHPO4+ - -llnl_gamma 4.0 - log_k +5.5000 - -delta_H 0 # Not possible to calculate enthalpy of reaction PmHPO4+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pm+++ + 1.0000 NO3- = PmNO3++ - -llnl_gamma 4.5 - log_k +1.1000 - -delta_H 0 # Not possible to calculate enthalpy of reaction PmNO3+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pm+++ + 1.0000 H2O = PmOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -7.9951 - -delta_H 0 # Not possible to calculate enthalpy of reaction PmOH+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pm+++ + 1.0000 HPO4-- = PmPO4 +1.0000 H+ - -llnl_gamma 3.0 - log_k -0.3718 - -delta_H 0 # Not possible to calculate enthalpy of reaction PmPO4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Pm+++ = PmSO4+ - -llnl_gamma 4.0 - log_k +3.5000 - -delta_H 0 # Not possible to calculate enthalpy of reaction PmSO4+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 HAcetate + 1.0000 Pr+++ = Pr(Acetate)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -4.8525 - -delta_H -23.8906 kJ/mol # Calculated enthalpy of reaction Pr(Acetate)2+ + -analytic 1.4291e+1 5.8382e-3 -1.9881e+2 -6.6475e+0 -3.1065e+0 +# -Range: 0-300 + +2 HCO3- + Pm+3 = Pm(CO3)2- + 2 H+ + -llnl_gamma 4 + log_k -7.9576 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(CO3)2- +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Pm+3 = Pm(HPO4)2- + -llnl_gamma 4 + log_k 9.2 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(HPO4)2- +# Enthalpy of formation: -0 kcal/mol + +2 H2O + Pm+3 = Pm(OH)2+ + 2 H+ + -llnl_gamma 4 + log_k -16.7902 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(OH)2+ +# Enthalpy of formation: -0 kcal/mol + +3 H2O + Pm+3 = Pm(OH)3 + 3 H+ + -llnl_gamma 3 + log_k -26.1852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(OH)3 +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Pm+3 = Pm(PO4)2-3 + 2 H+ + -llnl_gamma 4 + log_k -4.6837 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(PO4)2-3 +# Enthalpy of formation: -0 kcal/mol + +2 SO4-2 + Pm+3 = Pm(SO4)2- + -llnl_gamma 4 + log_k 5.2 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(SO4)2- +# Enthalpy of formation: -0 kcal/mol + +Pm+3 + HCO3- = PmCO3+ + H+ + -llnl_gamma 4 + log_k -2.6288 + -delta_H 0 # Not possible to calculate enthalpy of reaction PmCO3+ +# Enthalpy of formation: -0 kcal/mol + +Pm+3 + Cl- = PmCl+2 + -llnl_gamma 4.5 + log_k 0.34 + -delta_H 0 # Not possible to calculate enthalpy of reaction PmCl+2 +# Enthalpy of formation: -0 kcal/mol + +Pm+3 + F- = PmF+2 + -llnl_gamma 4.5 + log_k 3.8 + -delta_H 0 # Not possible to calculate enthalpy of reaction PmF+2 +# Enthalpy of formation: -0 kcal/mol + +Pm+3 + HPO4-2 + H+ = PmH2PO4+2 + -llnl_gamma 4.5 + log_k 9.6054 + -delta_H 0 # Not possible to calculate enthalpy of reaction PmH2PO4+2 +# Enthalpy of formation: -0 kcal/mol + +Pm+3 + HCO3- = PmHCO3+2 + -llnl_gamma 4.5 + log_k 2.1 + -delta_H 0 # Not possible to calculate enthalpy of reaction PmHCO3+2 +# Enthalpy of formation: -0 kcal/mol + +Pm+3 + HPO4-2 = PmHPO4+ + -llnl_gamma 4 + log_k 5.5 + -delta_H 0 # Not possible to calculate enthalpy of reaction PmHPO4+ +# Enthalpy of formation: -0 kcal/mol + +Pm+3 + NO3- = PmNO3+2 + -llnl_gamma 4.5 + log_k 1.1 + -delta_H 0 # Not possible to calculate enthalpy of reaction PmNO3+2 +# Enthalpy of formation: -0 kcal/mol + +Pm+3 + H2O = PmOH+2 + H+ + -llnl_gamma 4.5 + log_k -7.9951 + -delta_H 0 # Not possible to calculate enthalpy of reaction PmOH+2 +# Enthalpy of formation: -0 kcal/mol + +Pm+3 + HPO4-2 = PmPO4 + H+ + -llnl_gamma 3 + log_k -0.3718 + -delta_H 0 # Not possible to calculate enthalpy of reaction PmPO4 +# Enthalpy of formation: -0 kcal/mol + +SO4-2 + Pm+3 = PmSO4+ + -llnl_gamma 4 + log_k 3.5 + -delta_H 0 # Not possible to calculate enthalpy of reaction PmSO4+ +# Enthalpy of formation: -0 kcal/mol + +2 HAcetate + Pr+3 = Pr(Acetate)2+ + 2 H+ + -llnl_gamma 4 + log_k -4.8525 + -delta_H -23.8906 kJ/mol # Calculated enthalpy of reaction Pr(Acetate)2+ # Enthalpy of formation: -406.71 kcal/mol - -analytic -1.6464e+001 6.2989e-004 -4.4771e+002 3.6947e+000 3.3816e+005 + -analytic -1.6464e+1 6.2989e-4 -4.4771e+2 3.6947e+0 3.3816e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Pr+++ = Pr(Acetate)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -8.2023 - -delta_H -40.3756 kJ/mol # Calculated enthalpy of reaction Pr(Acetate)3 +3 HAcetate + Pr+3 = Pr(Acetate)3 + 3 H+ + -llnl_gamma 3 + log_k -8.2023 + -delta_H -40.3756 kJ/mol # Calculated enthalpy of reaction Pr(Acetate)3 # Enthalpy of formation: -526.75 kcal/mol - -analytic -1.2007e+001 4.9332e-004 0.0000e+000 0.0000e+000 3.2789e+005 -# -Range: 0-300 - -2.0000 HCO3- + 1.0000 Pr+++ = Pr(CO3)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -8.1076 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pr(CO3)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Pr+++ = Pr(HPO4)2- - -llnl_gamma 4.0 - log_k +8.9000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pr(HPO4)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Pr+++ = Pr(PO4)2--- +2.0000 H+ - -llnl_gamma 4.0 - log_k -5.5637 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pr(PO4)2-3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 Pr+++ = Pr(SO4)2- - -llnl_gamma 4.0 - log_k +4.9000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pr(SO4)2- -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pr+++ + 1.0000 HAcetate = PrAcetate++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -2.0451 - -delta_H -12.4683 kJ/mol # Calculated enthalpy of reaction PrAcetate+2 + -analytic -1.2007e+1 4.9332e-4 0e+0 0e+0 3.2789e+5 +# -Range: 0-300 + +2 HCO3- + Pr+3 = Pr(CO3)2- + 2 H+ + -llnl_gamma 4 + log_k -8.1076 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pr(CO3)2- +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Pr+3 = Pr(HPO4)2- + -llnl_gamma 4 + log_k 8.9 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pr(HPO4)2- +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Pr+3 = Pr(PO4)2-3 + 2 H+ + -llnl_gamma 4 + log_k -5.5637 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pr(PO4)2-3 +# Enthalpy of formation: -0 kcal/mol + +2 SO4-2 + Pr+3 = Pr(SO4)2- + -llnl_gamma 4 + log_k 4.9 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pr(SO4)2- +# Enthalpy of formation: -0 kcal/mol + +Pr+3 + HAcetate = PrAcetate+2 + H+ + -llnl_gamma 4.5 + log_k -2.0451 + -delta_H -12.4683 kJ/mol # Calculated enthalpy of reaction PrAcetate+2 # Enthalpy of formation: -287.88 kcal/mol - -analytic -8.5624e+000 9.3878e-004 -5.7551e+002 2.2087e+000 2.4126e+005 + -analytic -8.5624e+0 9.3878e-4 -5.7551e+2 2.2087e+0 2.4126e+5 # -Range: 0-300 -1.0000 Pr+++ + 1.0000 HCO3- = PrCO3+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.7722 - -delta_H 92.458 kJ/mol # Calculated enthalpy of reaction PrCO3+ +Pr+3 + HCO3- = PrCO3+ + H+ + -llnl_gamma 4 + log_k -2.7722 + -delta_H 92.458 kJ/mol # Calculated enthalpy of reaction PrCO3+ # Enthalpy of formation: -311.6 kcal/mol - -analytic 2.2079e+002 5.2156e-002 -6.5821e+003 -8.7701e+001 -1.0277e+002 + -analytic 2.2079e+2 5.2156e-2 -6.5821e+3 -8.7701e+1 -1.0277e+2 # -Range: 0-300 -1.0000 Pr+++ + 1.0000 Cl- = PrCl++ - -llnl_gamma 4.5 - log_k +0.3086 - -delta_H 14.3637 kJ/mol # Calculated enthalpy of reaction PrCl+2 +Pr+3 + Cl- = PrCl+2 + -llnl_gamma 4.5 + log_k 0.3086 + -delta_H 14.3637 kJ/mol # Calculated enthalpy of reaction PrCl+2 # Enthalpy of formation: -205.3 kcal/mol - -analytic 7.5152e+001 3.7446e-002 -1.6661e+003 -3.2490e+001 -2.6020e+001 + -analytic 7.5152e+1 3.7446e-2 -1.6661e+3 -3.249e+1 -2.602e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Pr+++ = PrCl2+ - -llnl_gamma 4.0 - log_k +0.0308 - -delta_H 20.3593 kJ/mol # Calculated enthalpy of reaction PrCl2+ +2 Cl- + Pr+3 = PrCl2+ + -llnl_gamma 4 + log_k 0.0308 + -delta_H 20.3593 kJ/mol # Calculated enthalpy of reaction PrCl2+ # Enthalpy of formation: -243.8 kcal/mol - -analytic 2.2848e+002 8.1250e-002 -6.0401e+003 -9.3909e+001 -9.4318e+001 + -analytic 2.2848e+2 8.125e-2 -6.0401e+3 -9.3909e+1 -9.4318e+1 # -Range: 0-300 -3.0000 Cl- + 1.0000 Pr+++ = PrCl3 - -llnl_gamma 3.0 - log_k -0.3203 - -delta_H 14.2214 kJ/mol # Calculated enthalpy of reaction PrCl3 +3 Cl- + Pr+3 = PrCl3 + -llnl_gamma 3 + log_k -0.3203 + -delta_H 14.2214 kJ/mol # Calculated enthalpy of reaction PrCl3 # Enthalpy of formation: -285.2 kcal/mol - -analytic 4.5016e+002 1.3095e-001 -1.2588e+004 -1.8075e+002 -1.9656e+002 + -analytic 4.5016e+2 1.3095e-1 -1.2588e+4 -1.8075e+2 -1.9656e+2 # -Range: 0-300 -4.0000 Cl- + 1.0000 Pr+++ = PrCl4- - -llnl_gamma 4.0 - log_k -0.7447 - -delta_H -4.05011 kJ/mol # Calculated enthalpy of reaction PrCl4- +4 Cl- + Pr+3 = PrCl4- + -llnl_gamma 4 + log_k -0.7447 + -delta_H -4.05011 kJ/mol # Calculated enthalpy of reaction PrCl4- # Enthalpy of formation: -329.5 kcal/mol - -analytic 5.4245e+002 1.3647e-001 -1.5564e+004 -2.1485e+002 -2.4302e+002 + -analytic 5.4245e+2 1.3647e-1 -1.5564e+4 -2.1485e+2 -2.4302e+2 # -Range: 0-300 -1.0000 Pr+++ + 1.0000 F- = PrF++ - -llnl_gamma 4.5 - log_k +4.2221 - -delta_H 23.2212 kJ/mol # Calculated enthalpy of reaction PrF+2 +Pr+3 + F- = PrF+2 + -llnl_gamma 4.5 + log_k 4.2221 + -delta_H 23.2212 kJ/mol # Calculated enthalpy of reaction PrF+2 # Enthalpy of formation: -243.4 kcal/mol - -analytic 9.5146e+001 4.1115e-002 -2.5463e+003 -3.8236e+001 -3.9760e+001 + -analytic 9.5146e+1 4.1115e-2 -2.5463e+3 -3.8236e+1 -3.976e+1 # -Range: 0-300 -2.0000 F- + 1.0000 Pr+++ = PrF2+ - -llnl_gamma 4.0 - log_k +7.3447 - -delta_H 14.644 kJ/mol # Calculated enthalpy of reaction PrF2+ +2 F- + Pr+3 = PrF2+ + -llnl_gamma 4 + log_k 7.3447 + -delta_H 14.644 kJ/mol # Calculated enthalpy of reaction PrF2+ # Enthalpy of formation: -325.6 kcal/mol - -analytic 2.4997e+002 8.5251e-002 -6.1908e+003 -9.9912e+001 -9.6675e+001 + -analytic 2.4997e+2 8.5251e-2 -6.1908e+3 -9.9912e+1 -9.6675e+1 # -Range: 0-300 -3.0000 F- + 1.0000 Pr+++ = PrF3 - -llnl_gamma 3.0 - log_k +9.6610 - -delta_H -6.4852 kJ/mol # Calculated enthalpy of reaction PrF3 +3 F- + Pr+3 = PrF3 + -llnl_gamma 3 + log_k 9.661 + -delta_H -6.4852 kJ/mol # Calculated enthalpy of reaction PrF3 # Enthalpy of formation: -410.8 kcal/mol - -analytic 4.7885e+002 1.3764e-001 -1.2080e+004 -1.8980e+002 -1.8864e+002 + -analytic 4.7885e+2 1.3764e-1 -1.208e+4 -1.898e+2 -1.8864e+2 # -Range: 0-300 -4.0000 F- + 1.0000 Pr+++ = PrF4- - -llnl_gamma 4.0 - log_k +11.5375 - -delta_H -47.2792 kJ/mol # Calculated enthalpy of reaction PrF4- +4 F- + Pr+3 = PrF4- + -llnl_gamma 4 + log_k 11.5375 + -delta_H -47.2792 kJ/mol # Calculated enthalpy of reaction PrF4- # Enthalpy of formation: -500.7 kcal/mol - -analytic 5.5774e+002 1.4067e-001 -1.3523e+004 -2.1933e+002 -2.1118e+002 + -analytic 5.5774e+2 1.4067e-1 -1.3523e+4 -2.1933e+2 -2.1118e+2 # -Range: 0-300 -1.0000 Pr+++ + 1.0000 HPO4-- + 1.0000 H+ = PrH2PO4++ - -llnl_gamma 4.5 - log_k +9.5950 - -delta_H -16.2548 kJ/mol # Calculated enthalpy of reaction PrH2PO4+2 +Pr+3 + HPO4-2 + H+ = PrH2PO4+2 + -llnl_gamma 4.5 + log_k 9.595 + -delta_H -16.2548 kJ/mol # Calculated enthalpy of reaction PrH2PO4+2 # Enthalpy of formation: -481.5 kcal/mol - -analytic 1.0501e+002 6.3059e-002 3.8161e+002 -4.6656e+001 5.9234e+000 + -analytic 1.0501e+2 6.3059e-2 3.8161e+2 -4.6656e+1 5.9234e+0 # -Range: 0-300 -1.0000 Pr+++ + 1.0000 HCO3- = PrHCO3++ - -llnl_gamma 4.5 - log_k +1.9190 - -delta_H -12.9788 kJ/mol # Calculated enthalpy of reaction PrHCO3+2 +Pr+3 + HCO3- = PrHCO3+2 + -llnl_gamma 4.5 + log_k 1.919 + -delta_H -12.9788 kJ/mol # Calculated enthalpy of reaction PrHCO3+2 # Enthalpy of formation: -336.8 kcal/mol - -analytic 2.2010e+001 2.8541e-002 1.4574e+003 -1.3522e+001 2.2734e+001 + -analytic 2.201e+1 2.8541e-2 1.4574e+3 -1.3522e+1 2.2734e+1 # -Range: 0-300 -1.0000 Pr+++ + 1.0000 HPO4-- = PrHPO4+ - -llnl_gamma 4.0 - log_k +5.4000 - -delta_H 0 # Not possible to calculate enthalpy of reaction PrHPO4+ +Pr+3 + HPO4-2 = PrHPO4+ + -llnl_gamma 4 + log_k 5.4 + -delta_H 0 # Not possible to calculate enthalpy of reaction PrHPO4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 Pr+++ + 1.0000 NO3- = PrNO3++ - -llnl_gamma 4.5 - log_k +0.6546 - -delta_H -27.9115 kJ/mol # Calculated enthalpy of reaction PrNO3+2 + +Pr+3 + NO3- = PrNO3+2 + -llnl_gamma 4.5 + log_k 0.6546 + -delta_H -27.9115 kJ/mol # Calculated enthalpy of reaction PrNO3+2 # Enthalpy of formation: -224.9 kcal/mol - -analytic 1.4297e+001 2.5214e-002 2.1756e+003 -1.1490e+001 3.3943e+001 + -analytic 1.4297e+1 2.5214e-2 2.1756e+3 -1.149e+1 3.3943e+1 # -Range: 0-300 -1.0000 Pr+++ + 1.0000 H2O = PrO+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -17.29 - -delta_H 117.642 kJ/mol # Calculated enthalpy of reaction PrO+ +Pr+3 + H2O = PrO+ + 2 H+ + -llnl_gamma 4 + log_k -17.29 + -delta_H 117.642 kJ/mol # Calculated enthalpy of reaction PrO+ # Enthalpy of formation: -209 kcal/mol - -analytic 1.7927e+002 2.9467e-002 -1.3815e+004 -6.4259e+001 -2.1562e+002 + -analytic 1.7927e+2 2.9467e-2 -1.3815e+4 -6.4259e+1 -2.1562e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Pr+++ = PrO2- +4.0000 H+ - -llnl_gamma 4.0 - log_k -37.5852 - -delta_H 301.39 kJ/mol # Calculated enthalpy of reaction PrO2- +2 H2O + Pr+3 = PrO2- + 4 H+ + -llnl_gamma 4 + log_k -37.5852 + -delta_H 301.39 kJ/mol # Calculated enthalpy of reaction PrO2- # Enthalpy of formation: -233.4 kcal/mol - -analytic -4.4480e+001 -1.6327e-002 -7.9031e+003 1.9348e+001 -8.5440e+005 + -analytic -4.448e+1 -1.6327e-2 -7.9031e+3 1.9348e+1 -8.544e+5 # -Range: 0-300 -2.0000 H2O + 1.0000 Pr+++ = PrO2H +3.0000 H+ - -llnl_gamma 3.0 - log_k -26.5901 - -delta_H 231.517 kJ/mol # Calculated enthalpy of reaction PrO2H +2 H2O + Pr+3 = PrO2H + 3 H+ + -llnl_gamma 3 + log_k -26.5901 + -delta_H 231.517 kJ/mol # Calculated enthalpy of reaction PrO2H # Enthalpy of formation: -250.1 kcal/mol - -analytic 3.3930e+002 4.4894e-002 -2.3769e+004 -1.2106e+002 -3.7099e+002 + -analytic 3.393e+2 4.4894e-2 -2.3769e+4 -1.2106e+2 -3.7099e+2 # -Range: 0-300 -1.0000 Pr+++ + 1.0000 H2O = PrOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -8.274 - -delta_H 81.2407 kJ/mol # Calculated enthalpy of reaction PrOH+2 +Pr+3 + H2O = PrOH+2 + H+ + -llnl_gamma 4.5 + log_k -8.274 + -delta_H 81.2407 kJ/mol # Calculated enthalpy of reaction PrOH+2 # Enthalpy of formation: -217.7 kcal/mol - -analytic 5.6599e+001 1.1073e-002 -5.9197e+003 -1.9525e+001 -9.2388e+001 + -analytic 5.6599e+1 1.1073e-2 -5.9197e+3 -1.9525e+1 -9.2388e+1 # -Range: 0-300 -1.0000 Pr+++ + 1.0000 HPO4-- = PrPO4 +1.0000 H+ - -llnl_gamma 3.0 - log_k -0.7218 - -delta_H 0 # Not possible to calculate enthalpy of reaction PrPO4 +Pr+3 + HPO4-2 = PrPO4 + H+ + -llnl_gamma 3 + log_k -0.7218 + -delta_H 0 # Not possible to calculate enthalpy of reaction PrPO4 # Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Pr+++ = PrSO4+ - -llnl_gamma 4.0 - log_k -3.687 - -delta_H 19.6648 kJ/mol # Calculated enthalpy of reaction PrSO4+ + +SO4-2 + Pr+3 = PrSO4+ + -llnl_gamma 4 + log_k -3.687 + -delta_H 19.6648 kJ/mol # Calculated enthalpy of reaction PrSO4+ # Enthalpy of formation: -381.5 kcal/mol - -analytic 2.9156e+002 8.4671e-002 -1.0638e+004 -1.1509e+002 -1.6608e+002 + -analytic 2.9156e+2 8.4671e-2 -1.0638e+4 -1.1509e+2 -1.6608e+2 # -Range: 0-300 -2.0000 HPO4-- + 1.0000 Pu++++ = Pu(HPO4)2 - -llnl_gamma 3.0 - log_k +23.8483 - -delta_H 25.9279 kJ/mol # Calculated enthalpy of reaction Pu(HPO4)2 +2 HPO4-2 + Pu+4 = Pu(HPO4)2 + -llnl_gamma 3 + log_k 23.8483 + -delta_H 25.9279 kJ/mol # Calculated enthalpy of reaction Pu(HPO4)2 # Enthalpy of formation: -3094.13 kJ/mol - -analytic 9.2387e+002 3.2577e-001 -2.0881e+004 -3.7466e+002 -3.5492e+002 + -analytic 9.2387e+2 3.2577e-1 -2.0881e+4 -3.7466e+2 -3.5492e+2 # -Range: 0-200 -3.0000 HPO4-- + 1.0000 Pu++++ = Pu(HPO4)3-- - -llnl_gamma 4.0 - log_k +33.4599 - -delta_H -6.49412 kJ/mol # Calculated enthalpy of reaction Pu(HPO4)3-2 +3 HPO4-2 + Pu+4 = Pu(HPO4)3-2 + -llnl_gamma 4 + log_k 33.4599 + -delta_H -6.49412 kJ/mol # Calculated enthalpy of reaction Pu(HPO4)3-2 # Enthalpy of formation: -4418.63 kJ/mol - -analytic 6.4515e+002 2.3011e-001 -1.2752e+004 -2.5761e+002 -1.9917e+002 + -analytic 6.4515e+2 2.3011e-1 -1.2752e+4 -2.5761e+2 -1.9917e+2 # -Range: 0-300 -4.0000 HPO4-- + 1.0000 Pu++++ = Pu(HPO4)4---- - -llnl_gamma 4.0 - log_k +43.2467 - -delta_H -77.4832 kJ/mol # Calculated enthalpy of reaction Pu(HPO4)4-4 +4 HPO4-2 + Pu+4 = Pu(HPO4)4-4 + -llnl_gamma 4 + log_k 43.2467 + -delta_H -77.4832 kJ/mol # Calculated enthalpy of reaction Pu(HPO4)4-4 # Enthalpy of formation: -5781.7 kJ/mol - -analytic 8.5301e+002 3.0730e-001 -1.3644e+004 -3.4573e+002 -2.1316e+002 + -analytic 8.5301e+2 3.073e-1 -1.3644e+4 -3.4573e+2 -2.1316e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Pu++++ = Pu(OH)2++ +2.0000 H+ - -llnl_gamma 4.5 - log_k -2.3235 - -delta_H 74.3477 kJ/mol # Calculated enthalpy of reaction Pu(OH)2+2 +2 H2O + Pu+4 = Pu(OH)2+2 + 2 H+ + -llnl_gamma 4.5 + log_k -2.3235 + -delta_H 74.3477 kJ/mol # Calculated enthalpy of reaction Pu(OH)2+2 # Enthalpy of formation: -1033.22 kJ/mol - -analytic 7.5979e+001 6.8394e-003 -6.3710e+003 -2.3833e+001 -9.9435e+001 + -analytic 7.5979e+1 6.8394e-3 -6.371e+3 -2.3833e+1 -9.9435e+1 # -Range: 0-300 -3.0000 H2O + 1.0000 Pu++++ = Pu(OH)3+ +3.0000 H+ - -llnl_gamma 4.0 - log_k -5.281 - -delta_H 96.578 kJ/mol # Calculated enthalpy of reaction Pu(OH)3+ +3 H2O + Pu+4 = Pu(OH)3+ + 3 H+ + -llnl_gamma 4 + log_k -5.281 + -delta_H 96.578 kJ/mol # Calculated enthalpy of reaction Pu(OH)3+ # Enthalpy of formation: -1296.83 kJ/mol - -analytic 1.0874e+002 1.4199e-002 -8.4954e+003 -3.6278e+001 -1.3259e+002 + -analytic 1.0874e+2 1.4199e-2 -8.4954e+3 -3.6278e+1 -1.3259e+2 # -Range: 0-300 -4.0000 H2O + 1.0000 Pu++++ = Pu(OH)4 +4.0000 H+ - -llnl_gamma 3.0 - log_k -9.5174 - -delta_H 109.113 kJ/mol # Calculated enthalpy of reaction Pu(OH)4 +4 H2O + Pu+4 = Pu(OH)4 + 4 H+ + -llnl_gamma 3 + log_k -9.5174 + -delta_H 109.113 kJ/mol # Calculated enthalpy of reaction Pu(OH)4 # Enthalpy of formation: -1570.13 kJ/mol - -analytic 2.7913e+002 1.0252e-001 -1.1289e+004 -1.1369e+002 -1.9181e+002 + -analytic 2.7913e+2 1.0252e-1 -1.1289e+4 -1.1369e+2 -1.9181e+2 # -Range: 0-200 -2.0000 SO4-- + 1.0000 Pu++++ = Pu(SO4)2 - -llnl_gamma 3.0 - log_k +10.2456 - -delta_H 41.0122 kJ/mol # Calculated enthalpy of reaction Pu(SO4)2 +2 SO4-2 + Pu+4 = Pu(SO4)2 + -llnl_gamma 3 + log_k 10.2456 + -delta_H 41.0122 kJ/mol # Calculated enthalpy of reaction Pu(SO4)2 # Enthalpy of formation: -2314.08 kJ/mol - -analytic 5.3705e+002 1.9308e-001 -1.3213e+004 -2.1824e+002 -2.2457e+002 -# -Range: 0-200 - -2.0000 SO4-- + 1.0000 Pu+++ = Pu(SO4)2- - -llnl_gamma 4.0 - log_k +6.3200 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pu(SO4)2- -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pu++++ + 1.0000 F- = PuF+++ - -llnl_gamma 5.0 - log_k +8.4600 - -delta_H 0 # Not possible to calculate enthalpy of reaction PuF+3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 F- + 1.0000 Pu++++ = PuF2++ - -llnl_gamma 4.5 - log_k +15.4000 - -delta_H 0 # Not possible to calculate enthalpy of reaction PuF2+2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 F- + 1.0000 Pu++++ = PuF3+ - -llnl_gamma 4.0 - log_k +5.3000 - -delta_H 0 # Not possible to calculate enthalpy of reaction PuF3+ -# Enthalpy of formation: -0 kcal/mol - -4.0000 F- + 1.0000 Pu++++ = PuF4 - -llnl_gamma 3.0 - log_k +4.2000 - -delta_H 0 # Not possible to calculate enthalpy of reaction PuF4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pu+++ + 1.0000 HPO4-- + 1.0000 H+ = PuH2PO4++ - -llnl_gamma 4.5 - log_k +9.6817 - -delta_H 28.597 kJ/mol # Calculated enthalpy of reaction PuH2PO4+2 + -analytic 5.3705e+2 1.9308e-1 -1.3213e+4 -2.1824e+2 -2.2457e+2 +# -Range: 0-200 + +2 SO4-2 + Pu+3 = Pu(SO4)2- + -llnl_gamma 4 + log_k 6.32 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pu(SO4)2- +# Enthalpy of formation: -0 kcal/mol + +Pu+4 + F- = PuF+3 + -llnl_gamma 5 + log_k 8.46 + -delta_H 0 # Not possible to calculate enthalpy of reaction PuF+3 +# Enthalpy of formation: -0 kcal/mol + +2 F- + Pu+4 = PuF2+2 + -llnl_gamma 4.5 + log_k 15.4 + -delta_H 0 # Not possible to calculate enthalpy of reaction PuF2+2 +# Enthalpy of formation: -0 kcal/mol + +3 F- + Pu+4 = PuF3+ + -llnl_gamma 4 + log_k 5.3 + -delta_H 0 # Not possible to calculate enthalpy of reaction PuF3+ +# Enthalpy of formation: -0 kcal/mol + +4 F- + Pu+4 = PuF4 + -llnl_gamma 3 + log_k 4.2 + -delta_H 0 # Not possible to calculate enthalpy of reaction PuF4 +# Enthalpy of formation: -0 kcal/mol + +Pu+3 + HPO4-2 + H+ = PuH2PO4+2 + -llnl_gamma 4.5 + log_k 9.6817 + -delta_H 28.597 kJ/mol # Calculated enthalpy of reaction PuH2PO4+2 # Enthalpy of formation: -1855.04 kJ/mol - -analytic 2.1595e+002 6.4502e-002 -6.4723e+003 -8.2341e+001 -1.0106e+002 + -analytic 2.1595e+2 6.4502e-2 -6.4723e+3 -8.2341e+1 -1.0106e+2 # -Range: 0-300 -1.0000 Pu++++ + 1.0000 HPO4-- = PuHPO4++ - -llnl_gamma 4.5 - log_k +13.0103 - -delta_H 40.306 kJ/mol # Calculated enthalpy of reaction PuHPO4+2 +Pu+4 + HPO4-2 = PuHPO4+2 + -llnl_gamma 4.5 + log_k 13.0103 + -delta_H 40.306 kJ/mol # Calculated enthalpy of reaction PuHPO4+2 # Enthalpy of formation: -1787.67 kJ/mol - -analytic 2.2662e+002 7.1073e-002 -6.9134e+003 -8.5504e+001 -1.0794e+002 + -analytic 2.2662e+2 7.1073e-2 -6.9134e+3 -8.5504e+1 -1.0794e+2 # -Range: 0-300 -2.0000 HCO3- + 1.0000 PuO2++ = PuO2(CO3)2-- +2.0000 H+ - -llnl_gamma 4.0 - log_k -5.7428 - -delta_H 52.3345 kJ/mol # Calculated enthalpy of reaction PuO2(CO3)2-2 +2 HCO3- + PuO2+2 = PuO2(CO3)2-2 + 2 H+ + -llnl_gamma 4 + log_k -5.7428 + -delta_H 52.3345 kJ/mol # Calculated enthalpy of reaction PuO2(CO3)2-2 # Enthalpy of formation: -2149.11 kJ/mol - -analytic 2.6589e+002 7.6132e-002 -9.7187e+003 -1.0577e+002 -1.5173e+002 + -analytic 2.6589e+2 7.6132e-2 -9.7187e+3 -1.0577e+2 -1.5173e+2 # -Range: 0-300 -1.0000 PuO2++ + 1.0000 Cl- = PuO2Cl+ - -llnl_gamma 4.0 - log_k -0.2084 - -delta_H 11.6127 kJ/mol # Calculated enthalpy of reaction PuO2Cl+ +PuO2+2 + Cl- = PuO2Cl+ + -llnl_gamma 4 + log_k -0.2084 + -delta_H 11.6127 kJ/mol # Calculated enthalpy of reaction PuO2Cl+ # Enthalpy of formation: -977.045 kJ/mol - -analytic 9.8385e+001 3.8617e-002 -2.5210e+003 -4.1075e+001 -3.9367e+001 + -analytic 9.8385e+1 3.8617e-2 -2.521e+3 -4.1075e+1 -3.9367e+1 # -Range: 0-300 -1.0000 PuO2++ + 1.0000 F- = PuO2F+ - -llnl_gamma 4.0 - log_k +5.6674 - -delta_H -5.2094 kJ/mol # Calculated enthalpy of reaction PuO2F+ +PuO2+2 + F- = PuO2F+ + -llnl_gamma 4 + log_k 5.6674 + -delta_H -5.2094 kJ/mol # Calculated enthalpy of reaction PuO2F+ # Enthalpy of formation: -1162.13 kJ/mol - -analytic 1.1412e+002 4.1224e-002 -2.0503e+003 -4.6009e+001 -3.2027e+001 + -analytic 1.1412e+2 4.1224e-2 -2.0503e+3 -4.6009e+1 -3.2027e+1 # -Range: 0-300 -2.0000 F- + 1.0000 PuO2++ = PuO2F2 - -llnl_gamma 3.0 - log_k +10.9669 - -delta_H -15.4738 kJ/mol # Calculated enthalpy of reaction PuO2F2 +2 F- + PuO2+2 = PuO2F2 + -llnl_gamma 3 + log_k 10.9669 + -delta_H -15.4738 kJ/mol # Calculated enthalpy of reaction PuO2F2 # Enthalpy of formation: -1507.75 kJ/mol - -analytic 2.5502e+002 9.1597e-002 -4.4557e+003 -1.0362e+002 -7.5752e+001 + -analytic 2.5502e+2 9.1597e-2 -4.4557e+3 -1.0362e+2 -7.5752e+1 # -Range: 0-200 -3.0000 F- + 1.0000 PuO2++ = PuO2F3- - -llnl_gamma 4.0 - log_k +15.9160 - -delta_H -29.4032 kJ/mol # Calculated enthalpy of reaction PuO2F3- +3 F- + PuO2+2 = PuO2F3- + -llnl_gamma 4 + log_k 15.916 + -delta_H -29.4032 kJ/mol # Calculated enthalpy of reaction PuO2F3- # Enthalpy of formation: -1857.02 kJ/mol - -analytic 3.6102e+002 8.6364e-002 -8.7129e+003 -1.3805e+002 -1.3606e+002 + -analytic 3.6102e+2 8.6364e-2 -8.7129e+3 -1.3805e+2 -1.3606e+2 # -Range: 0-300 -4.0000 F- + 1.0000 PuO2++ = PuO2F4-- - -llnl_gamma 4.0 - log_k +18.7628 - -delta_H -39.9786 kJ/mol # Calculated enthalpy of reaction PuO2F4-2 +4 F- + PuO2+2 = PuO2F4-2 + -llnl_gamma 4 + log_k 18.7628 + -delta_H -39.9786 kJ/mol # Calculated enthalpy of reaction PuO2F4-2 # Enthalpy of formation: -2202.95 kJ/mol - -analytic 4.6913e+002 1.3649e-001 -9.8336e+003 -1.8510e+002 -1.5358e+002 + -analytic 4.6913e+2 1.3649e-1 -9.8336e+3 -1.851e+2 -1.5358e+2 # -Range: 0-300 -1.0000 PuO2++ + 1.0000 HPO4-- + 1.0000 H+ = PuO2H2PO4+ - -llnl_gamma 4.0 - log_k +11.2059 - -delta_H -6.63904 kJ/mol # Calculated enthalpy of reaction PuO2H2PO4+ +PuO2+2 + HPO4-2 + H+ = PuO2H2PO4+ + -llnl_gamma 4 + log_k 11.2059 + -delta_H -6.63904 kJ/mol # Calculated enthalpy of reaction PuO2H2PO4+ # Enthalpy of formation: -2120.3 kJ/mol - -analytic 2.1053e+002 6.8671e-002 -4.3390e+003 -8.2930e+001 -6.7768e+001 + -analytic 2.1053e+2 6.8671e-2 -4.339e+3 -8.293e+1 -6.7768e+1 # -Range: 0-300 -1.0000 PuO2+ + 1.0000 H2O = PuO2OH +1.0000 H+ - -llnl_gamma 3.0 - log_k -9.6674 - -delta_H 69.1763 kJ/mol # Calculated enthalpy of reaction PuO2OH +PuO2+ + H2O = PuO2OH + H+ + -llnl_gamma 3 + log_k -9.6674 + -delta_H 69.1763 kJ/mol # Calculated enthalpy of reaction PuO2OH # Enthalpy of formation: -1130.85 kJ/mol - -analytic 7.1080e+001 2.6141e-002 -5.0337e+003 -2.8956e+001 -8.5504e+001 + -analytic 7.108e+1 2.6141e-2 -5.0337e+3 -2.8956e+1 -8.5504e+1 # -Range: 0-200 -1.0000 PuO2++ + 1.0000 H2O = PuO2OH+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -5.6379 - -delta_H 45.2823 kJ/mol # Calculated enthalpy of reaction PuO2OH+ +PuO2+2 + H2O = PuO2OH+ + H+ + -llnl_gamma 4 + log_k -5.6379 + -delta_H 45.2823 kJ/mol # Calculated enthalpy of reaction PuO2OH+ # Enthalpy of formation: -1062.13 kJ/mol - -analytic -3.9012e+000 1.1645e-003 -1.1299e+003 1.3419e+000 -1.4364e+005 + -analytic -3.9012e+0 1.1645e-3 -1.1299e+3 1.3419e+0 -1.4364e+5 # -Range: 0-300 -1.0000 SO4-- + 1.0000 PuO2++ = PuO2SO4 - -llnl_gamma 3.0 - log_k +3.2658 - -delta_H 20.0746 kJ/mol # Calculated enthalpy of reaction PuO2SO4 +SO4-2 + PuO2+2 = PuO2SO4 + -llnl_gamma 3 + log_k 3.2658 + -delta_H 20.0746 kJ/mol # Calculated enthalpy of reaction PuO2SO4 # Enthalpy of formation: -1711.11 kJ/mol - -analytic 2.0363e+002 7.3903e-002 -5.1940e+003 -8.2833e+001 -8.8273e+001 + -analytic 2.0363e+2 7.3903e-2 -5.194e+3 -8.2833e+1 -8.8273e+1 # -Range: 0-200 -1.0000 Pu+++ + 1.0000 H2O = PuOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -7.968 - -delta_H 53.5143 kJ/mol # Calculated enthalpy of reaction PuOH+2 +Pu+3 + H2O = PuOH+2 + H+ + -llnl_gamma 4.5 + log_k -7.968 + -delta_H 53.5143 kJ/mol # Calculated enthalpy of reaction PuOH+2 # Enthalpy of formation: -823.876 kJ/mol - -analytic 3.0065e+000 3.0278e-003 -1.9675e+003 -1.6100e+000 -1.1524e+005 + -analytic 3.0065e+0 3.0278e-3 -1.9675e+3 -1.61e+0 -1.1524e+5 # -Range: 0-300 -1.0000 Pu++++ + 1.0000 H2O = PuOH+++ +1.0000 H+ - -llnl_gamma 5.0 - log_k -0.5048 - -delta_H 48.1823 kJ/mol # Calculated enthalpy of reaction PuOH+3 +Pu+4 + H2O = PuOH+3 + H+ + -llnl_gamma 5 + log_k -0.5048 + -delta_H 48.1823 kJ/mol # Calculated enthalpy of reaction PuOH+3 # Enthalpy of formation: -773.549 kJ/mol - -analytic 4.1056e+001 1.1119e-003 -3.9252e+003 -1.1609e+001 -6.1260e+001 + -analytic 4.1056e+1 1.1119e-3 -3.9252e+3 -1.1609e+1 -6.126e+1 # -Range: 0-300 -1.0000 SO4-- + 1.0000 Pu+++ = PuSO4+ - -llnl_gamma 4.0 - log_k +3.4935 - -delta_H 14.6006 kJ/mol # Calculated enthalpy of reaction PuSO4+ +SO4-2 + Pu+3 = PuSO4+ + -llnl_gamma 4 + log_k 3.4935 + -delta_H 14.6006 kJ/mol # Calculated enthalpy of reaction PuSO4+ # Enthalpy of formation: -1486.55 kJ/mol - -analytic 1.9194e+002 7.7154e-002 -4.2751e+003 -7.9646e+001 -6.6765e+001 + -analytic 1.9194e+2 7.7154e-2 -4.2751e+3 -7.9646e+1 -6.6765e+1 # -Range: 0-300 -1.0000 SO4-- + 1.0000 Pu++++ = PuSO4++ - -llnl_gamma 4.5 - log_k +5.7710 - -delta_H 12.3336 kJ/mol # Calculated enthalpy of reaction PuSO4+2 +SO4-2 + Pu+4 = PuSO4+2 + -llnl_gamma 4.5 + log_k 5.771 + -delta_H 12.3336 kJ/mol # Calculated enthalpy of reaction PuSO4+2 # Enthalpy of formation: -1433.16 kJ/mol - -analytic 1.9418e+002 7.5477e-002 -4.2767e+003 -7.9425e+001 -6.6792e+001 + -analytic 1.9418e+2 7.5477e-2 -4.2767e+3 -7.9425e+1 -6.6792e+1 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Ra++ = Ra(Acetate)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -7.9018 - -delta_H 21.0874 kJ/mol # Calculated enthalpy of reaction Ra(Acetate)2 +2 HAcetate + Ra+2 = Ra(Acetate)2 + 2 H+ + -llnl_gamma 3 + log_k -7.9018 + -delta_H 21.0874 kJ/mol # Calculated enthalpy of reaction Ra(Acetate)2 # Enthalpy of formation: -353.26 kcal/mol - -analytic 2.2767e+001 3.1254e-003 -6.4558e+003 -7.2253e+000 7.0689e+005 + -analytic 2.2767e+1 3.1254e-3 -6.4558e+3 -7.2253e+0 7.0689e+5 # -Range: 0-300 -1.0000 Ra++ + 1.0000 HAcetate = RaAcetate+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -3.709 - -delta_H 11.7989 kJ/mol # Calculated enthalpy of reaction RaAcetate+ +Ra+2 + HAcetate = RaAcetate+ + H+ + -llnl_gamma 4 + log_k -3.709 + -delta_H 11.7989 kJ/mol # Calculated enthalpy of reaction RaAcetate+ # Enthalpy of formation: -239.38 kcal/mol - -analytic -1.8268e+001 2.9956e-003 1.9313e+001 5.2767e+000 4.9771e+004 + -analytic -1.8268e+1 2.9956e-3 1.9313e+1 5.2767e+0 4.9771e+4 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Rb+ = Rb(Acetate)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -9.7636 - -delta_H -1.12968 kJ/mol # Calculated enthalpy of reaction Rb(Acetate)2- +2 HAcetate + Rb+ = Rb(Acetate)2- + 2 H+ + -llnl_gamma 4 + log_k -9.7636 + -delta_H -1.12968 kJ/mol # Calculated enthalpy of reaction Rb(Acetate)2- # Enthalpy of formation: -292.49 kcal/mol - -analytic -1.9198e+002 -4.2101e-002 5.5792e+003 7.1152e+001 8.7114e+001 + -analytic -1.9198e+2 -4.2101e-2 5.5792e+3 7.1152e+1 8.7114e+1 # -Range: 0-300 -1.0000 Rb+ + 1.0000 Br- = RbBr - -llnl_gamma 3.0 - log_k -1.2168 - -delta_H 13.9327 kJ/mol # Calculated enthalpy of reaction RbBr +Rb+ + Br- = RbBr + -llnl_gamma 3 + log_k -1.2168 + -delta_H 13.9327 kJ/mol # Calculated enthalpy of reaction RbBr # Enthalpy of formation: -85.73 kcal/mol - -analytic 1.2054e+002 3.3825e-002 -3.9500e+003 -4.7920e+001 -6.1671e+001 + -analytic 1.2054e+2 3.3825e-2 -3.95e+3 -4.792e+1 -6.1671e+1 # -Range: 0-300 -1.0000 Rb+ + 1.0000 HAcetate = RbAcetate +1.0000 H+ - -llnl_gamma 3.0 - log_k -4.7279 - -delta_H 4.89528 kJ/mol # Calculated enthalpy of reaction RbAcetate +Rb+ + HAcetate = RbAcetate + H+ + -llnl_gamma 3 + log_k -4.7279 + -delta_H 4.89528 kJ/mol # Calculated enthalpy of reaction RbAcetate # Enthalpy of formation: -174.95 kcal/mol - -analytic 1.5661e+001 -2.4230e-003 -2.5280e+003 -5.4433e+000 2.0344e+005 + -analytic 1.5661e+1 -2.423e-3 -2.528e+3 -5.4433e+0 2.0344e+5 # -Range: 0-300 -1.0000 Rb+ + 1.0000 Cl- = RbCl - -llnl_gamma 3.0 - log_k -0.9595 - -delta_H 13.1922 kJ/mol # Calculated enthalpy of reaction RbCl +Rb+ + Cl- = RbCl + -llnl_gamma 3 + log_k -0.9595 + -delta_H 13.1922 kJ/mol # Calculated enthalpy of reaction RbCl # Enthalpy of formation: -96.8 kcal/mol - -analytic 1.2689e+002 3.5557e-002 -4.0822e+003 -5.0412e+001 -6.3736e+001 + -analytic 1.2689e+2 3.5557e-2 -4.0822e+3 -5.0412e+1 -6.3736e+1 # -Range: 0-300 -1.0000 Rb+ + 1.0000 F- = RbF - -llnl_gamma 3.0 - log_k +0.9602 - -delta_H 1.92464 kJ/mol # Calculated enthalpy of reaction RbF +Rb+ + F- = RbF + -llnl_gamma 3 + log_k 0.9602 + -delta_H 1.92464 kJ/mol # Calculated enthalpy of reaction RbF # Enthalpy of formation: -139.71 kcal/mol - -analytic 1.3893e+002 3.8188e-002 -3.8677e+003 -5.5109e+001 -6.0393e+001 + -analytic 1.3893e+2 3.8188e-2 -3.8677e+3 -5.5109e+1 -6.0393e+1 # -Range: 0-300 -1.0000 Rb+ + 1.0000 I- = RbI - -llnl_gamma 3.0 - log_k -0.8136 - -delta_H 7.1128 kJ/mol # Calculated enthalpy of reaction RbI +Rb+ + I- = RbI + -llnl_gamma 3 + log_k -0.8136 + -delta_H 7.1128 kJ/mol # Calculated enthalpy of reaction RbI # Enthalpy of formation: -71.92 kcal/mol - -analytic 1.1486e+002 3.3121e-002 -3.4217e+003 -4.6096e+001 -5.3426e+001 -# -Range: 0-300 - -2.0000 Cl- + 1.0000 Ru+++ = Ru(Cl)2+ - -llnl_gamma 4.0 - log_k +3.7527 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(Cl)2+ -# Enthalpy of formation: -0 kcal/mol - -3.0000 Cl- + 1.0000 Ru+++ = Ru(Cl)3 - -llnl_gamma 3.0 - log_k +4.2976 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(Cl)3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 Ru+++ = Ru(OH)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -3.5148 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Ru(OH)2++ + 1.0000 Cl- = Ru(OH)2Cl+ - -llnl_gamma 4.0 - log_k +1.3858 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2Cl+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 Cl- + 1.0000 Ru(OH)2++ = Ru(OH)2Cl2 - -llnl_gamma 3.0 - log_k +1.8081 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2Cl2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 Cl- + 1.0000 Ru(OH)2++ = Ru(OH)2Cl3- - -llnl_gamma 4.0 - log_k +1.6172 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2Cl3- -# Enthalpy of formation: -0 kcal/mol - -4.0000 Cl- + 1.0000 Ru(OH)2++ = Ru(OH)2Cl4-- - -llnl_gamma 4.0 - log_k +2.7052 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2Cl4-2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Ru(OH)2++ = Ru(OH)2SO4 - -llnl_gamma 3.0 - log_k +1.7941 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2SO4 -# Enthalpy of formation: -0 kcal/mol - + -analytic 1.1486e+2 3.3121e-2 -3.4217e+3 -4.6096e+1 -5.3426e+1 +# -Range: 0-300 + +2 Cl- + Ru+3 = Ru(Cl)2+ + -llnl_gamma 4 + log_k 3.7527 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(Cl)2+ +# Enthalpy of formation: -0 kcal/mol + +3 Cl- + Ru+3 = Ru(Cl)3 + -llnl_gamma 3 + log_k 4.2976 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(Cl)3 +# Enthalpy of formation: -0 kcal/mol + +2 H2O + Ru+3 = Ru(OH)2+ + 2 H+ + -llnl_gamma 4 + log_k -3.5148 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2+ +# Enthalpy of formation: -0 kcal/mol + +Ru(OH)2+2 + Cl- = Ru(OH)2Cl+ + -llnl_gamma 4 + log_k 1.3858 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2Cl+ +# Enthalpy of formation: -0 kcal/mol + +2 Cl- + Ru(OH)2+2 = Ru(OH)2Cl2 + -llnl_gamma 3 + log_k 1.8081 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2Cl2 +# Enthalpy of formation: -0 kcal/mol + +3 Cl- + Ru(OH)2+2 = Ru(OH)2Cl3- + -llnl_gamma 4 + log_k 1.6172 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2Cl3- +# Enthalpy of formation: -0 kcal/mol + +4 Cl- + Ru(OH)2+2 = Ru(OH)2Cl4-2 + -llnl_gamma 4 + log_k 2.7052 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2Cl4-2 +# Enthalpy of formation: -0 kcal/mol + +SO4-2 + Ru(OH)2+2 = Ru(OH)2SO4 + -llnl_gamma 3 + log_k 1.7941 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2SO4 +# Enthalpy of formation: -0 kcal/mol + #3.0000 H2O + 1.0000 Ru++ + 0.5000 O2 = Ru(OH)4 +2.0000 H+ # Ru(OH)2++ +1.0000 H2O +0.5000 O2 = 4.0000 H+ + 1.0000 RuO4-- log_k -25.2470 # 4.0000 H+ + 1.0000 RuO4-- = Ru++ +2.0000 H2O +1.0000 O2 log_k +0.1610 #1 + 2 + 3 -2H2O + Ru(OH)2++ = Ru(OH)4 + 2H+ - -llnl_gamma 3.0 +2 H2O + Ru(OH)2+2 = Ru(OH)4 + 2 H+ + -llnl_gamma 3 # log_k +18.0322 - log_k -7.0538 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)4 -# Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 Ru+++ = Ru(SO4)2- - -llnl_gamma 4.0 - log_k +3.0627 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(SO4)2- -# Enthalpy of formation: -0 kcal/mol - -4.0000 Ru(OH)2++ + 4.0000 H2O = Ru4(OH)12++++ +4.0000 H+ - -llnl_gamma 5.5 - log_k +7.1960 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ru4(OH)12+4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Ru++ + 1.0000 Cl- = RuCl+ - -llnl_gamma 4.0 - log_k -0.4887 - -delta_H 0 # Not possible to calculate enthalpy of reaction RuCl+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Ru+++ + 1.0000 Cl- = RuCl++ - -llnl_gamma 4.5 - log_k +2.1742 - -delta_H 0 # Not possible to calculate enthalpy of reaction RuCl+2 -# Enthalpy of formation: -0 kcal/mol - -4.0000 Cl- + 1.0000 Ru+++ = RuCl4- - -llnl_gamma 4.0 - log_k +4.1418 - -delta_H 0 # Not possible to calculate enthalpy of reaction RuCl4- -# Enthalpy of formation: -0 kcal/mol - -5.0000 Cl- + 1.0000 Ru+++ = RuCl5-- - -llnl_gamma 4.0 - log_k +3.8457 - -delta_H 0 # Not possible to calculate enthalpy of reaction RuCl5-2 -# Enthalpy of formation: -0 kcal/mol - -6.0000 Cl- + 1.0000 Ru+++ = RuCl6--- - -llnl_gamma 4.0 - log_k +3.4446 - -delta_H 0 # Not possible to calculate enthalpy of reaction RuCl6-3 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Ru+++ + 1.0000 H2O = RuOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -2.2392 - -delta_H 0 # Not possible to calculate enthalpy of reaction RuOH+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Ru++ = RuSO4 - -llnl_gamma 3.0 - log_k +2.3547 - -delta_H 0 # Not possible to calculate enthalpy of reaction RuSO4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Ru+++ = RuSO4+ - -llnl_gamma 4.0 - log_k +1.9518 - -delta_H 0 # Not possible to calculate enthalpy of reaction RuSO4+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 HS- = S-- +1.0000 H+ - -llnl_gamma 5.0 - log_k -12.9351 - -delta_H 49.0364 kJ/mol # Calculated enthalpy of reaction S-2 + log_k -7.0538 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)4 +# Enthalpy of formation: -0 kcal/mol + +2 SO4-2 + Ru+3 = Ru(SO4)2- + -llnl_gamma 4 + log_k 3.0627 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(SO4)2- +# Enthalpy of formation: -0 kcal/mol + +4 Ru(OH)2+2 + 4 H2O = Ru4(OH)12+4 + 4 H+ + -llnl_gamma 5.5 + log_k 7.196 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ru4(OH)12+4 +# Enthalpy of formation: -0 kcal/mol + +Ru+2 + Cl- = RuCl+ + -llnl_gamma 4 + log_k -0.4887 + -delta_H 0 # Not possible to calculate enthalpy of reaction RuCl+ +# Enthalpy of formation: -0 kcal/mol + +Ru+3 + Cl- = RuCl+2 + -llnl_gamma 4.5 + log_k 2.1742 + -delta_H 0 # Not possible to calculate enthalpy of reaction RuCl+2 +# Enthalpy of formation: -0 kcal/mol + +4 Cl- + Ru+3 = RuCl4- + -llnl_gamma 4 + log_k 4.1418 + -delta_H 0 # Not possible to calculate enthalpy of reaction RuCl4- +# Enthalpy of formation: -0 kcal/mol + +5 Cl- + Ru+3 = RuCl5-2 + -llnl_gamma 4 + log_k 3.8457 + -delta_H 0 # Not possible to calculate enthalpy of reaction RuCl5-2 +# Enthalpy of formation: -0 kcal/mol + +6 Cl- + Ru+3 = RuCl6-3 + -llnl_gamma 4 + log_k 3.4446 + -delta_H 0 # Not possible to calculate enthalpy of reaction RuCl6-3 +# Enthalpy of formation: -0 kcal/mol + +Ru+3 + H2O = RuOH+2 + H+ + -llnl_gamma 4.5 + log_k -2.2392 + -delta_H 0 # Not possible to calculate enthalpy of reaction RuOH+2 +# Enthalpy of formation: -0 kcal/mol + +SO4-2 + Ru+2 = RuSO4 + -llnl_gamma 3 + log_k 2.3547 + -delta_H 0 # Not possible to calculate enthalpy of reaction RuSO4 +# Enthalpy of formation: -0 kcal/mol + +SO4-2 + Ru+3 = RuSO4+ + -llnl_gamma 4 + log_k 1.9518 + -delta_H 0 # Not possible to calculate enthalpy of reaction RuSO4+ +# Enthalpy of formation: -0 kcal/mol + +HS- = S-2 + H+ + -llnl_gamma 5 + log_k -12.9351 + -delta_H 49.0364 kJ/mol # Calculated enthalpy of reaction S-2 # Enthalpy of formation: 32.928 kJ/mol - -analytic 9.7756e+001 3.2913e-002 -5.0784e+003 -4.1812e+001 -7.9273e+001 + -analytic 9.7756e+1 3.2913e-2 -5.0784e+3 -4.1812e+1 -7.9273e+1 # -Range: 0-300 -2.0000 H+ + 2.0000 SO3-- = S2O5-- + H2O - -llnl_gamma 4.0 - log_k 9.5934 - -delta_H 0 # Not possible to calculate enthalpy of reaction S2O5-2 +2 H+ + 2 SO3-2 = S2O5-2 + H2O + -llnl_gamma 4 + log_k 9.5934 + -delta_H 0 # Not possible to calculate enthalpy of reaction S2O5-2 # Enthalpy of formation: -0 kcal/mol - -analytic 0.12262E+03 0.62883E-01 -0.18005E+04 -0.50798E+02 -0.28132E+02 + -analytic 0.12262E+3 0.62883E-1 -0.18005E+4 -0.50798E+2 -0.28132E+2 # -Range: 0-300 -2.0000 H+ + 1.0000 SO3-- = SO2 +1.0000 H2O - -llnl_gamma 3.0 - log_k +9.0656 - -delta_H 26.7316 kJ/mol # Calculated enthalpy of reaction SO2 +2 H+ + SO3-2 = SO2 + H2O + -llnl_gamma 3 + log_k 9.0656 + -delta_H 26.7316 kJ/mol # Calculated enthalpy of reaction SO2 # Enthalpy of formation: -77.194 kcal/mol - -analytic 9.4048e+001 6.2127e-002 -1.1072e+003 -4.0310e+001 -1.7305e+001 + -analytic 9.4048e+1 6.2127e-2 -1.1072e+3 -4.031e+1 -1.7305e+1 # -Range: 0-300 -1.0000 Sb(OH)3 + 1.0000 H+ = Sb(OH)2+ +1.0000 H2O - -llnl_gamma 4.0 - log_k +1.4900 - -delta_H 0 # Not possible to calculate enthalpy of reaction Sb(OH)2+ +Sb(OH)3 + H+ = Sb(OH)2+ + H2O + -llnl_gamma 4 + log_k 1.49 + -delta_H 0 # Not possible to calculate enthalpy of reaction Sb(OH)2+ # Enthalpy of formation: -0 kcal/mol - - -analytic -4.9192e+000 -1.6439e-004 1.4777e+003 6.0724e-001 2.3059e+001 + + -analytic -4.9192e+0 -1.6439e-4 1.4777e+3 6.0724e-1 2.3059e+1 # -Range: 0-300 -1.0000 Sb(OH)3 + 1.0000 H+ + 1.0000 F- = Sb(OH)2F +1.0000 H2O - -llnl_gamma 3.0 - log_k +7.1700 - -delta_H 0 # Not possible to calculate enthalpy of reaction Sb(OH)2F +Sb(OH)3 + H+ + F- = Sb(OH)2F + H2O + -llnl_gamma 3 + log_k 7.17 + -delta_H 0 # Not possible to calculate enthalpy of reaction Sb(OH)2F # Enthalpy of formation: -0 kcal/mol - - -analytic -1.6961e+002 5.7364e-002 2.7207e+004 3.7969e+001 -2.2834e+006 + + -analytic -1.6961e+2 5.7364e-2 2.7207e+4 3.7969e+1 -2.2834e+6 # -Range: 0-300 -1.0000 Sb(OH)3 + 1.0000 H2O = Sb(OH)4- +1.0000 H+ - -llnl_gamma 4.0 - log_k -11.92 - -delta_H 0 # Not possible to calculate enthalpy of reaction Sb(OH)4- +Sb(OH)3 + H2O = Sb(OH)4- + H+ + -llnl_gamma 4 + log_k -11.92 + -delta_H 0 # Not possible to calculate enthalpy of reaction Sb(OH)4- # Enthalpy of formation: -0 kcal/mol - - -analytic 4.9839e+001 -6.7112e-003 -4.8976e+003 -1.7138e+001 -8.3725e+004 + + -analytic 4.9839e+1 -6.7112e-3 -4.8976e+3 -1.7138e+1 -8.3725e+4 # -Range: 0-300 -4.0000 HS- + 2.0000 Sb(OH)3 + 2.0000 H+ = Sb2S4-- +6.0000 H2O - -llnl_gamma 4.0 - log_k +39.1100 - -delta_H 0 # Not possible to calculate enthalpy of reaction Sb2S4-2 +4 HS- + 2 Sb(OH)3 + 2 H+ = Sb2S4-2 + 6 H2O + -llnl_gamma 4 + log_k 39.11 + -delta_H 0 # Not possible to calculate enthalpy of reaction Sb2S4-2 # Enthalpy of formation: -0 kcal/mol - - -analytic 1.7631e+002 8.3686e-002 9.7091e+003 -7.8605e+001 1.5145e+002 + + -analytic 1.7631e+2 8.3686e-2 9.7091e+3 -7.8605e+1 1.5145e+2 # -Range: 0-300 -4.0000 Cl- + 3.0000 H+ + 1.0000 Sb(OH)3 = SbCl4- +3.0000 H2O - -llnl_gamma 4.0 - log_k +3.0720 - -delta_H 0 # Not possible to calculate enthalpy of reaction SbCl4- +4 Cl- + 3 H+ + Sb(OH)3 = SbCl4- + 3 H2O + -llnl_gamma 4 + log_k 3.072 + -delta_H 0 # Not possible to calculate enthalpy of reaction SbCl4- # Enthalpy of formation: -0 kcal/mol - -2.0000 HAcetate + 1.0000 Sc+++ = Sc(Acetate)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -3.7237 - -delta_H -43.1789 kJ/mol # Calculated enthalpy of reaction Sc(Acetate)2+ + +2 HAcetate + Sc+3 = Sc(Acetate)2+ + 2 H+ + -llnl_gamma 4 + log_k -3.7237 + -delta_H -43.1789 kJ/mol # Calculated enthalpy of reaction Sc(Acetate)2+ # Enthalpy of formation: -389.32 kcal/mol - -analytic -4.1862e+001 -3.9443e-005 2.1444e+002 1.2616e+001 5.5442e+005 + -analytic -4.1862e+1 -3.9443e-5 2.1444e+2 1.2616e+1 5.5442e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Sc+++ = Sc(Acetate)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -6.6777 - -delta_H -70.0402 kJ/mol # Calculated enthalpy of reaction Sc(Acetate)3 +3 HAcetate + Sc+3 = Sc(Acetate)3 + 3 H+ + -llnl_gamma 3 + log_k -6.6777 + -delta_H -70.0402 kJ/mol # Calculated enthalpy of reaction Sc(Acetate)3 # Enthalpy of formation: -511.84 kcal/mol - -analytic -5.2525e+001 1.6181e-003 7.5022e+002 1.3988e+001 7.3540e+005 + -analytic -5.2525e+1 1.6181e-3 7.5022e+2 1.3988e+1 7.354e+5 # -Range: 0-300 -1.0000 Sc+++ + 1.0000 HAcetate = ScAcetate++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -1.4294 - -delta_H -21.7568 kJ/mol # Calculated enthalpy of reaction ScAcetate+2 +Sc+3 + HAcetate = ScAcetate+2 + H+ + -llnl_gamma 4.5 + log_k -1.4294 + -delta_H -21.7568 kJ/mol # Calculated enthalpy of reaction ScAcetate+2 # Enthalpy of formation: -268.1 kcal/mol - -analytic -2.3400e+001 1.3144e-004 1.1125e+002 7.3527e+000 3.0025e+005 + -analytic -2.34e+1 1.3144e-4 1.1125e+2 7.3527e+0 3.0025e+5 # -Range: 0-300 -6.0000 F- + 4.0000 H+ + 1.0000 SiO2 = SiF6-- +2.0000 H2O - -llnl_gamma 4.0 - log_k +26.2749 - -delta_H -70.9565 kJ/mol # Calculated enthalpy of reaction SiF6-2 +6 F- + 4 H+ + SiO2 = SiF6-2 + 2 H2O + -llnl_gamma 4 + log_k 26.2749 + -delta_H -70.9565 kJ/mol # Calculated enthalpy of reaction SiF6-2 # Enthalpy of formation: -571 kcal/mol - -analytic 2.3209e+002 1.0685e-001 5.8428e+002 -9.6798e+001 9.0486e+000 + -analytic 2.3209e+2 1.0685e-1 5.8428e+2 -9.6798e+1 9.0486e+0 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Sm+++ = Sm(Acetate)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -4.7132 - -delta_H -25.5224 kJ/mol # Calculated enthalpy of reaction Sm(Acetate)2+ +2 HAcetate + Sm+3 = Sm(Acetate)2+ + 2 H+ + -llnl_gamma 4 + log_k -4.7132 + -delta_H -25.5224 kJ/mol # Calculated enthalpy of reaction Sm(Acetate)2+ # Enthalpy of formation: -403.5 kcal/mol - -analytic -1.4192e+001 2.1732e-003 -1.0267e+003 2.9516e+000 4.4389e+005 + -analytic -1.4192e+1 2.1732e-3 -1.0267e+3 2.9516e+0 4.4389e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Sm+++ = Sm(Acetate)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -7.8798 - -delta_H -43.5554 kJ/mol # Calculated enthalpy of reaction Sm(Acetate)3 +3 HAcetate + Sm+3 = Sm(Acetate)3 + 3 H+ + -llnl_gamma 3 + log_k -7.8798 + -delta_H -43.5554 kJ/mol # Calculated enthalpy of reaction Sm(Acetate)3 # Enthalpy of formation: -523.91 kcal/mol - -analytic -2.0765e+001 1.1047e-003 -5.1181e+002 3.4797e+000 5.0618e+005 + -analytic -2.0765e+1 1.1047e-3 -5.1181e+2 3.4797e+0 5.0618e+5 # -Range: 0-300 -2.0000 HCO3- + 1.0000 Sm+++ = Sm(CO3)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -7.8576 - -delta_H 0 # Not possible to calculate enthalpy of reaction Sm(CO3)2- +2 HCO3- + Sm+3 = Sm(CO3)2- + 2 H+ + -llnl_gamma 4 + log_k -7.8576 + -delta_H 0 # Not possible to calculate enthalpy of reaction Sm(CO3)2- # Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Sm+++ = Sm(HPO4)2- - -llnl_gamma 4.0 - log_k +9.4000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Sm(HPO4)2- + +2 HPO4-2 + Sm+3 = Sm(HPO4)2- + -llnl_gamma 4 + log_k 9.4 + -delta_H 0 # Not possible to calculate enthalpy of reaction Sm(HPO4)2- # Enthalpy of formation: -0 kcal/mol - + # Redundant with SmO2- #4.0000 H2O + 1.0000 Sm+++ = Sm(OH)4- +4.0000 H+ -# -llnl_gamma 4.0 +# -llnl_gamma 4.0 # log_k -36.8803 # -delta_H 0 # Not possible to calculate enthalpy of reaction Sm(OH)4- ## Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Sm+++ = Sm(PO4)2--- +2.0000 H+ - -llnl_gamma 4.0 - log_k -4.2437 - -delta_H 0 # Not possible to calculate enthalpy of reaction Sm(PO4)2-3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 Sm+++ = Sm(SO4)2- - -llnl_gamma 4.0 - log_k +5.2000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Sm(SO4)2- -# Enthalpy of formation: -0 kcal/mol - -1.0000 Sm+++ + 1.0000 HAcetate = SmAcetate++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -1.9205 - -delta_H -13.598 kJ/mol # Calculated enthalpy of reaction SmAcetate+2 + +2 HPO4-2 + Sm+3 = Sm(PO4)2-3 + 2 H+ + -llnl_gamma 4 + log_k -4.2437 + -delta_H 0 # Not possible to calculate enthalpy of reaction Sm(PO4)2-3 +# Enthalpy of formation: -0 kcal/mol + +2 SO4-2 + Sm+3 = Sm(SO4)2- + -llnl_gamma 4 + log_k 5.2 + -delta_H 0 # Not possible to calculate enthalpy of reaction Sm(SO4)2- +# Enthalpy of formation: -0 kcal/mol + +Sm+3 + HAcetate = SmAcetate+2 + H+ + -llnl_gamma 4.5 + log_k -1.9205 + -delta_H -13.598 kJ/mol # Calculated enthalpy of reaction SmAcetate+2 # Enthalpy of formation: -284.55 kcal/mol - -analytic -1.1734e+001 1.0889e-003 -5.1061e+002 3.3317e+000 2.6395e+005 + -analytic -1.1734e+1 1.0889e-3 -5.1061e+2 3.3317e+0 2.6395e+5 # -Range: 0-300 -1.0000 Sm+++ + 1.0000 HCO3- = SmCO3+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.479 - -delta_H 89.1108 kJ/mol # Calculated enthalpy of reaction SmCO3+ +Sm+3 + HCO3- = SmCO3+ + H+ + -llnl_gamma 4 + log_k -2.479 + -delta_H 89.1108 kJ/mol # Calculated enthalpy of reaction SmCO3+ # Enthalpy of formation: -308.8 kcal/mol - -analytic 2.3486e+002 5.3703e-002 -7.0193e+003 -9.2863e+001 -1.0960e+002 + -analytic 2.3486e+2 5.3703e-2 -7.0193e+3 -9.2863e+1 -1.096e+2 # -Range: 0-300 -1.0000 Sm+++ + 1.0000 Cl- = SmCl++ - -llnl_gamma 4.5 - log_k +0.3086 - -delta_H 14.3637 kJ/mol # Calculated enthalpy of reaction SmCl+2 +Sm+3 + Cl- = SmCl+2 + -llnl_gamma 4.5 + log_k 0.3086 + -delta_H 14.3637 kJ/mol # Calculated enthalpy of reaction SmCl+2 # Enthalpy of formation: -201.7 kcal/mol - -analytic 9.4972e+001 3.9428e-002 -2.4198e+003 -3.9718e+001 -3.7787e+001 + -analytic 9.4972e+1 3.9428e-2 -2.4198e+3 -3.9718e+1 -3.7787e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Sm+++ = SmCl2+ - -llnl_gamma 4.0 - log_k -0.0425 - -delta_H 19.9409 kJ/mol # Calculated enthalpy of reaction SmCl2+ +2 Cl- + Sm+3 = SmCl2+ + -llnl_gamma 4 + log_k -0.0425 + -delta_H 19.9409 kJ/mol # Calculated enthalpy of reaction SmCl2+ # Enthalpy of formation: -240.3 kcal/mol - -analytic 2.5872e+002 8.4154e-002 -7.2061e+003 -1.0493e+002 -1.1252e+002 + -analytic 2.5872e+2 8.4154e-2 -7.2061e+3 -1.0493e+2 -1.1252e+2 # -Range: 0-300 -3.0000 Cl- + 1.0000 Sm+++ = SmCl3 - -llnl_gamma 3.0 - log_k -0.3936 - -delta_H 13.803 kJ/mol # Calculated enthalpy of reaction SmCl3 +3 Cl- + Sm+3 = SmCl3 + -llnl_gamma 3 + log_k -0.3936 + -delta_H 13.803 kJ/mol # Calculated enthalpy of reaction SmCl3 # Enthalpy of formation: -281.7 kcal/mol - -analytic 4.9535e+002 1.3520e-001 -1.4325e+004 -1.9720e+002 -2.2367e+002 + -analytic 4.9535e+2 1.352e-1 -1.4325e+4 -1.972e+2 -2.2367e+2 # -Range: 0-300 -4.0000 Cl- + 1.0000 Sm+++ = SmCl4- - -llnl_gamma 4.0 - log_k -0.818 - -delta_H -5.30531 kJ/mol # Calculated enthalpy of reaction SmCl4- +4 Cl- + Sm+3 = SmCl4- + -llnl_gamma 4 + log_k -0.818 + -delta_H -5.30531 kJ/mol # Calculated enthalpy of reaction SmCl4- # Enthalpy of formation: -326.2 kcal/mol - -analytic 6.0562e+002 1.4212e-001 -1.7982e+004 -2.3782e+002 -2.8077e+002 + -analytic 6.0562e+2 1.4212e-1 -1.7982e+4 -2.3782e+2 -2.8077e+2 # -Range: 0-300 -1.0000 Sm+++ + 1.0000 F- = SmF++ - -llnl_gamma 4.5 - log_k +4.3687 - -delta_H 22.8028 kJ/mol # Calculated enthalpy of reaction SmF+2 +Sm+3 + F- = SmF+2 + -llnl_gamma 4.5 + log_k 4.3687 + -delta_H 22.8028 kJ/mol # Calculated enthalpy of reaction SmF+2 # Enthalpy of formation: -239.9 kcal/mol - -analytic 1.1514e+002 4.3117e-002 -3.2853e+003 -4.5499e+001 -5.1297e+001 + -analytic 1.1514e+2 4.3117e-2 -3.2853e+3 -4.5499e+1 -5.1297e+1 # -Range: 0-300 -2.0000 F- + 1.0000 Sm+++ = SmF2+ - -llnl_gamma 4.0 - log_k +7.6379 - -delta_H 13.8072 kJ/mol # Calculated enthalpy of reaction SmF2+ +2 F- + Sm+3 = SmF2+ + -llnl_gamma 4 + log_k 7.6379 + -delta_H 13.8072 kJ/mol # Calculated enthalpy of reaction SmF2+ # Enthalpy of formation: -322.2 kcal/mol - -analytic 2.8030e+002 8.8143e-002 -7.2857e+003 -1.1092e+002 -1.1377e+002 + -analytic 2.803e+2 8.8143e-2 -7.2857e+3 -1.1092e+2 -1.1377e+2 # -Range: 0-300 -3.0000 F- + 1.0000 Sm+++ = SmF3 - -llnl_gamma 3.0 - log_k +10.0275 - -delta_H -8.5772 kJ/mol # Calculated enthalpy of reaction SmF3 +3 F- + Sm+3 = SmF3 + -llnl_gamma 3 + log_k 10.0275 + -delta_H -8.5772 kJ/mol # Calculated enthalpy of reaction SmF3 # Enthalpy of formation: -407.7 kcal/mol - -analytic 5.2425e+002 1.4191e-001 -1.3728e+004 -2.0628e+002 -2.1436e+002 + -analytic 5.2425e+2 1.4191e-1 -1.3728e+4 -2.0628e+2 -2.1436e+2 # -Range: 0-300 -4.0000 F- + 1.0000 Sm+++ = SmF4- - -llnl_gamma 4.0 - log_k +11.9773 - -delta_H -49.7896 kJ/mol # Calculated enthalpy of reaction SmF4- +4 F- + Sm+3 = SmF4- + -llnl_gamma 4 + log_k 11.9773 + -delta_H -49.7896 kJ/mol # Calculated enthalpy of reaction SmF4- # Enthalpy of formation: -497.7 kcal/mol - -analytic 6.2228e+002 1.4659e-001 -1.5887e+004 -2.4275e+002 -2.4809e+002 + -analytic 6.2228e+2 1.4659e-1 -1.5887e+4 -2.4275e+2 -2.4809e+2 # -Range: 0-300 -1.0000 Sm+++ + 1.0000 HPO4-- + 1.0000 H+ = SmH2PO4++ - -llnl_gamma 4.5 - log_k +9.4484 - -delta_H -15.8364 kJ/mol # Calculated enthalpy of reaction SmH2PO4+2 +Sm+3 + HPO4-2 + H+ = SmH2PO4+2 + -llnl_gamma 4.5 + log_k 9.4484 + -delta_H -15.8364 kJ/mol # Calculated enthalpy of reaction SmH2PO4+2 # Enthalpy of formation: -477.8 kcal/mol - -analytic 1.2451e+002 6.4959e-002 -3.9576e+002 -5.3772e+001 -6.2124e+000 + -analytic 1.2451e+2 6.4959e-2 -3.9576e+2 -5.3772e+1 -6.2124e+0 # -Range: 0-300 -1.0000 Sm+++ + 1.0000 HCO3- = SmHCO3++ - -llnl_gamma 4.5 - log_k +1.7724 - -delta_H 9.19643 kJ/mol # Calculated enthalpy of reaction SmHCO3+2 +Sm+3 + HCO3- = SmHCO3+2 + -llnl_gamma 4.5 + log_k 1.7724 + -delta_H 9.19643 kJ/mol # Calculated enthalpy of reaction SmHCO3+2 # Enthalpy of formation: -327.9 kcal/mol - -analytic 5.5520e+001 3.3265e-002 -7.3142e+002 -2.4727e+001 -1.1430e+001 + -analytic 5.552e+1 3.3265e-2 -7.3142e+2 -2.4727e+1 -1.143e+1 # -Range: 0-300 -1.0000 Sm+++ + 1.0000 HPO4-- = SmHPO4+ - -llnl_gamma 4.0 - log_k +5.6000 - -delta_H 0 # Not possible to calculate enthalpy of reaction SmHPO4+ +Sm+3 + HPO4-2 = SmHPO4+ + -llnl_gamma 4 + log_k 5.6 + -delta_H 0 # Not possible to calculate enthalpy of reaction SmHPO4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 Sm+++ + 1.0000 NO3- = SmNO3++ - -llnl_gamma 4.5 - log_k +0.8012 - -delta_H -29.1667 kJ/mol # Calculated enthalpy of reaction SmNO3+2 + +Sm+3 + NO3- = SmNO3+2 + -llnl_gamma 4.5 + log_k 0.8012 + -delta_H -29.1667 kJ/mol # Calculated enthalpy of reaction SmNO3+2 # Enthalpy of formation: -221.6 kcal/mol - -analytic 3.3782e+001 2.7125e-002 1.5091e+003 -1.8632e+001 2.3537e+001 + -analytic 3.3782e+1 2.7125e-2 1.5091e+3 -1.8632e+1 2.3537e+1 # -Range: 0-300 -1.0000 Sm+++ + 1.0000 H2O = SmO+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -16.4837 - -delta_H 113.039 kJ/mol # Calculated enthalpy of reaction SmO+ +Sm+3 + H2O = SmO+ + 2 H+ + -llnl_gamma 4 + log_k -16.4837 + -delta_H 113.039 kJ/mol # Calculated enthalpy of reaction SmO+ # Enthalpy of formation: -206.5 kcal/mol - -analytic 1.8554e+002 3.0198e-002 -1.3791e+004 -6.6588e+001 -2.1526e+002 + -analytic 1.8554e+2 3.0198e-2 -1.3791e+4 -6.6588e+1 -2.1526e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Sm+++ = SmO2- +4.0000 H+ - -llnl_gamma 4.0 - log_k -35.0197 - -delta_H 285.909 kJ/mol # Calculated enthalpy of reaction SmO2- +2 H2O + Sm+3 = SmO2- + 4 H+ + -llnl_gamma 4 + log_k -35.0197 + -delta_H 285.909 kJ/mol # Calculated enthalpy of reaction SmO2- # Enthalpy of formation: -233.5 kcal/mol - -analytic 1.3508e+001 -8.3384e-003 -1.0325e+004 -1.5506e+000 -6.7392e+005 + -analytic 1.3508e+1 -8.3384e-3 -1.0325e+4 -1.5506e+0 -6.7392e+5 # -Range: 0-300 -2.0000 H2O + 1.0000 Sm+++ = SmO2H +3.0000 H+ - -llnl_gamma 3.0 - log_k -25.9304 - -delta_H 226.497 kJ/mol # Calculated enthalpy of reaction SmO2H +2 H2O + Sm+3 = SmO2H + 3 H+ + -llnl_gamma 3 + log_k -25.9304 + -delta_H 226.497 kJ/mol # Calculated enthalpy of reaction SmO2H # Enthalpy of formation: -247.7 kcal/mol - -analytic 3.6882e+002 5.3761e-002 -2.4317e+004 -1.3305e+002 -3.7956e+002 + -analytic 3.6882e+2 5.3761e-2 -2.4317e+4 -1.3305e+2 -3.7956e+2 # -Range: 0-300 -1.0000 Sm+++ + 1.0000 H2O = SmOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -7.9808 - -delta_H 79.1487 kJ/mol # Calculated enthalpy of reaction SmOH+2 +Sm+3 + H2O = SmOH+2 + H+ + -llnl_gamma 4.5 + log_k -7.9808 + -delta_H 79.1487 kJ/mol # Calculated enthalpy of reaction SmOH+2 # Enthalpy of formation: -214.6 kcal/mol - -analytic 6.3793e+001 1.1977e-002 -6.0852e+003 -2.2198e+001 -9.4972e+001 + -analytic 6.3793e+1 1.1977e-2 -6.0852e+3 -2.2198e+1 -9.4972e+1 # -Range: 0-300 -1.0000 Sm+++ + 1.0000 HPO4-- = SmPO4 +1.0000 H+ - -llnl_gamma 3.0 - log_k -0.2218 - -delta_H 0 # Not possible to calculate enthalpy of reaction SmPO4 +Sm+3 + HPO4-2 = SmPO4 + H+ + -llnl_gamma 3 + log_k -0.2218 + -delta_H 0 # Not possible to calculate enthalpy of reaction SmPO4 # Enthalpy of formation: -0 kcal/mol - -1.0000 Sm+++ + 1.0000 SO4-- = SmSO4+ - -llnl_gamma 4.0 - log_k +3.6430 - -delta_H 20.0832 kJ/mol # Calculated enthalpy of reaction SmSO4+ + +Sm+3 + SO4-2 = SmSO4+ + -llnl_gamma 4 + log_k 3.643 + -delta_H 20.0832 kJ/mol # Calculated enthalpy of reaction SmSO4+ # Enthalpy of formation: -377.8 kcal/mol - -analytic 3.0597e+002 8.6258e-002 -9.0231e+003 -1.2032e+002 -1.4089e+002 + -analytic 3.0597e+2 8.6258e-2 -9.0231e+3 -1.2032e+2 -1.4089e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Sn++ = Sn(OH)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -7.9102 - -delta_H 42.0534 kJ/mol # Calculated enthalpy of reaction Sn(OH)2 +2 H2O + Sn+2 = Sn(OH)2 + 2 H+ + -llnl_gamma 3 + log_k -7.9102 + -delta_H 42.0534 kJ/mol # Calculated enthalpy of reaction Sn(OH)2 # Enthalpy of formation: -128.683 kcal/mol - -analytic -3.7979e+001 -1.0893e-002 -1.2048e+003 1.5100e+001 -2.0445e+001 + -analytic -3.7979e+1 -1.0893e-2 -1.2048e+3 1.51e+1 -2.0445e+1 # -Range: 0-200 -2.0000 H2O + 1.0000 Sn++++ = Sn(OH)2++ +2.0000 H+ - -llnl_gamma 4.5 - log_k -0.1902 - -delta_H -2.02087 kJ/mol # Calculated enthalpy of reaction Sn(OH)2+2 +2 H2O + Sn+4 = Sn(OH)2+2 + 2 H+ + -llnl_gamma 4.5 + log_k -0.1902 + -delta_H -2.02087 kJ/mol # Calculated enthalpy of reaction Sn(OH)2+2 # Enthalpy of formation: -129.888 kcal/mol - -analytic -2.1675e+001 5.9697e-003 3.3953e+003 4.8158e+000 -3.2042e+005 + -analytic -2.1675e+1 5.9697e-3 3.3953e+3 4.8158e+0 -3.2042e+5 # -Range: 0-300 -3.0000 H2O + 1.0000 Sn++++ = Sn(OH)3+ +3.0000 H+ - -llnl_gamma 4.0 - log_k +0.5148 - -delta_H -7.59396 kJ/mol # Calculated enthalpy of reaction Sn(OH)3+ +3 H2O + Sn+4 = Sn(OH)3+ + 3 H+ + -llnl_gamma 4 + log_k 0.5148 + -delta_H -7.59396 kJ/mol # Calculated enthalpy of reaction Sn(OH)3+ # Enthalpy of formation: -199.537 kcal/mol - -analytic -3.3294e+001 8.8580e-003 5.3803e+003 7.4994e+000 -4.8389e+005 + -analytic -3.3294e+1 8.858e-3 5.3803e+3 7.4994e+0 -4.8389e+5 # -Range: 0-300 -3.0000 H2O + 1.0000 Sn++ = Sn(OH)3- +3.0000 H+ - -llnl_gamma 4.0 - log_k -17.4052 - -delta_H 94.7007 kJ/mol # Calculated enthalpy of reaction Sn(OH)3- +3 H2O + Sn+2 = Sn(OH)3- + 3 H+ + -llnl_gamma 4 + log_k -17.4052 + -delta_H 94.7007 kJ/mol # Calculated enthalpy of reaction Sn(OH)3- # Enthalpy of formation: -184.417 kcal/mol - -analytic 1.5614e+002 1.9943e-002 -1.0700e+004 -5.8031e+001 -1.6701e+002 + -analytic 1.5614e+2 1.9943e-2 -1.07e+4 -5.8031e+1 -1.6701e+2 # -Range: 0-300 -4.0000 H2O + 1.0000 Sn++++ = Sn(OH)4 +4.0000 H+ - -llnl_gamma 3.0 - log_k +0.8497 - -delta_H -11.0583 kJ/mol # Calculated enthalpy of reaction Sn(OH)4 +4 H2O + Sn+4 = Sn(OH)4 + 4 H+ + -llnl_gamma 3 + log_k 0.8497 + -delta_H -11.0583 kJ/mol # Calculated enthalpy of reaction Sn(OH)4 # Enthalpy of formation: -268.682 kcal/mol - -analytic -7.9563e+001 -2.2641e-002 2.6682e+003 3.1614e+001 4.5337e+001 + -analytic -7.9563e+1 -2.2641e-2 2.6682e+3 3.1614e+1 4.5337e+1 # -Range: 0-200 -2.0000 SO4-- + 1.0000 Sn++++ = Sn(SO4)2 - -llnl_gamma 3.0 - log_k -0.8072 - -delta_H 0 # Not possible to calculate enthalpy of reaction Sn(SO4)2 +2 SO4-2 + Sn+4 = Sn(SO4)2 + -llnl_gamma 3 + log_k -0.8072 + -delta_H 0 # Not possible to calculate enthalpy of reaction Sn(SO4)2 # Enthalpy of formation: -0 kcal/mol - -1.0000 Sn++ + 1.0000 Cl- = SnCl+ - -llnl_gamma 4.0 - log_k +1.0500 - -delta_H 0 # Not possible to calculate enthalpy of reaction SnCl+ + +Sn+2 + Cl- = SnCl+ + -llnl_gamma 4 + log_k 1.05 + -delta_H 0 # Not possible to calculate enthalpy of reaction SnCl+ # Enthalpy of formation: -0 kcal/mol - - -analytic 3.0558e+002 8.2458e-002 -8.9329e+003 -1.2088e+002 -1.3948e+002 + + -analytic 3.0558e+2 8.2458e-2 -8.9329e+3 -1.2088e+2 -1.3948e+2 # -Range: 0-300 -2.0000 Cl- + 1.0000 Sn++ = SnCl2 - -llnl_gamma 3.0 - log_k +1.7100 - -delta_H 0 # Not possible to calculate enthalpy of reaction SnCl2 +2 Cl- + Sn+2 = SnCl2 + -llnl_gamma 3 + log_k 1.71 + -delta_H 0 # Not possible to calculate enthalpy of reaction SnCl2 # Enthalpy of formation: -0 kcal/mol - - -analytic 3.6600e+002 1.0753e-001 -1.0006e+004 -1.4660e+002 -1.5624e+002 + + -analytic 3.66e+2 1.0753e-1 -1.0006e+4 -1.466e+2 -1.5624e+2 # -Range: 0-300 -3.0000 Cl- + 1.0000 Sn++ = SnCl3- - -llnl_gamma 4.0 - log_k +1.6900 - -delta_H 0 # Not possible to calculate enthalpy of reaction SnCl3- +3 Cl- + Sn+2 = SnCl3- + -llnl_gamma 4 + log_k 1.69 + -delta_H 0 # Not possible to calculate enthalpy of reaction SnCl3- # Enthalpy of formation: -0 kcal/mol - - -analytic 3.6019e+002 1.0602e-001 -1.0337e+004 -1.4363e+002 -1.6141e+002 + + -analytic 3.6019e+2 1.0602e-1 -1.0337e+4 -1.4363e+2 -1.6141e+2 # -Range: 0-300 -1.0000 Sn++ + 1.0000 F- = SnF+ - -llnl_gamma 4.0 - log_k +4.0800 - -delta_H 0 # Not possible to calculate enthalpy of reaction SnF+ +Sn+2 + F- = SnF+ + -llnl_gamma 4 + log_k 4.08 + -delta_H 0 # Not possible to calculate enthalpy of reaction SnF+ # Enthalpy of formation: -0 kcal/mol - - -analytic 3.0020e+002 7.5485e-002 -8.4231e+003 -1.1734e+002 -1.3152e+002 + + -analytic 3.002e+2 7.5485e-2 -8.4231e+3 -1.1734e+2 -1.3152e+2 # -Range: 0-300 -2.0000 F- + 1.0000 Sn++ = SnF2 - -llnl_gamma 3.0 - log_k +6.6800 - -delta_H 0 # Not possible to calculate enthalpy of reaction SnF2 +2 F- + Sn+2 = SnF2 + -llnl_gamma 3 + log_k 6.68 + -delta_H 0 # Not possible to calculate enthalpy of reaction SnF2 # Enthalpy of formation: -0 kcal/mol - - -analytic 4.1241e+002 1.0988e-001 -1.1151e+004 -1.6207e+002 -1.7413e+002 + + -analytic 4.1241e+2 1.0988e-1 -1.1151e+4 -1.6207e+2 -1.7413e+2 # -Range: 0-300 -3.0000 F- + 1.0000 Sn++ = SnF3- - -llnl_gamma 4.0 - log_k +9.4600 - -delta_H 0 # Not possible to calculate enthalpy of reaction SnF3- +3 F- + Sn+2 = SnF3- + -llnl_gamma 4 + log_k 9.46 + -delta_H 0 # Not possible to calculate enthalpy of reaction SnF3- # Enthalpy of formation: -0 kcal/mol - - -analytic 4.1793e+002 1.0898e-001 -1.1402e+004 -1.6273e+002 -1.7803e+002 + + -analytic 4.1793e+2 1.0898e-1 -1.1402e+4 -1.6273e+2 -1.7803e+2 # -Range: 0-300 -1.0000 Sn++ + 1.0000 H2O = SnOH+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -3.9851 - -delta_H 21.2045 kJ/mol # Calculated enthalpy of reaction SnOH+ +Sn+2 + H2O = SnOH+ + H+ + -llnl_gamma 4 + log_k -3.9851 + -delta_H 21.2045 kJ/mol # Calculated enthalpy of reaction SnOH+ # Enthalpy of formation: -65.349 kcal/mol - -analytic 7.7253e+001 1.9149e-002 -3.3745e+003 -3.0560e+001 -5.2679e+001 + -analytic 7.7253e+1 1.9149e-2 -3.3745e+3 -3.056e+1 -5.2679e+1 # -Range: 0-300 -1.0000 Sn++++ + 1.0000 H2O = SnOH+++ +1.0000 H+ - -llnl_gamma 5.0 - log_k +0.6049 - -delta_H -5.00406 kJ/mol # Calculated enthalpy of reaction SnOH+3 +Sn+4 + H2O = SnOH+3 + H+ + -llnl_gamma 5 + log_k 0.6049 + -delta_H -5.00406 kJ/mol # Calculated enthalpy of reaction SnOH+3 # Enthalpy of formation: -62.284 kcal/mol - -analytic -1.1548e+001 2.8878e-003 1.9476e+003 2.6622e+000 -1.6274e+005 + -analytic -1.1548e+1 2.8878e-3 1.9476e+3 2.6622e+0 -1.6274e+5 # -Range: 0-300 -1.0000 Sn++++ + 1.0000 SO4-- = SnSO4++ - -llnl_gamma 4.5 - log_k -3.1094 - -delta_H 0 # Not possible to calculate enthalpy of reaction SnSO4+2 +Sn+4 + SO4-2 = SnSO4+2 + -llnl_gamma 4.5 + log_k -3.1094 + -delta_H 0 # Not possible to calculate enthalpy of reaction SnSO4+2 # Enthalpy of formation: -0 kcal/mol - -2.0000 HAcetate + 1.0000 Sr++ = Sr(Acetate)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -7.8212 - -delta_H 0.54392 kJ/mol # Calculated enthalpy of reaction Sr(Acetate)2 + +2 HAcetate + Sr+2 = Sr(Acetate)2 + 2 H+ + -llnl_gamma 3 + log_k -7.8212 + -delta_H 0.54392 kJ/mol # Calculated enthalpy of reaction Sr(Acetate)2 # Enthalpy of formation: -363.74 kcal/mol - -analytic 1.2965e+001 4.7082e-003 -5.2538e+003 -5.2337e+000 7.4721e+005 + -analytic 1.2965e+1 4.7082e-3 -5.2538e+3 -5.2337e+0 7.4721e+5 # -Range: 0-300 -1.0000 Sr++ + 1.0000 HAcetate = SrAcetate+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -3.6724 - -delta_H 2.3012 kJ/mol # Calculated enthalpy of reaction SrAcetate+ +Sr+2 + HAcetate = SrAcetate+ + H+ + -llnl_gamma 4 + log_k -3.6724 + -delta_H 2.3012 kJ/mol # Calculated enthalpy of reaction SrAcetate+ # Enthalpy of formation: -247.22 kcal/mol - -analytic -1.4301e+001 1.2481e-003 -7.5690e+002 4.2760e+000 1.9800e+005 + -analytic -1.4301e+1 1.2481e-3 -7.569e+2 4.276e+0 1.98e+5 # -Range: 0-300 -1.0000 Sr++ + 1.0000 HCO3- = SrCO3 +1.0000 H+ - -llnl_gamma 3.0 - log_k -7.4635 - -delta_H 33.2544 kJ/mol # Calculated enthalpy of reaction SrCO3 +Sr+2 + HCO3- = SrCO3 + H+ + -llnl_gamma 3 + log_k -7.4635 + -delta_H 33.2544 kJ/mol # Calculated enthalpy of reaction SrCO3 # Enthalpy of formation: -288.62 kcal/mol - -analytic 2.2303e+002 5.2582e-002 -8.4861e+003 -8.7975e+001 -1.3248e+002 + -analytic 2.2303e+2 5.2582e-2 -8.4861e+3 -8.7975e+1 -1.3248e+2 # -Range: 0-300 -1.0000 Sr++ + 1.0000 Cl- = SrCl+ - -llnl_gamma 4.0 - log_k -0.2485 - -delta_H 7.58559 kJ/mol # Calculated enthalpy of reaction SrCl+ +Sr+2 + Cl- = SrCl+ + -llnl_gamma 4 + log_k -0.2485 + -delta_H 7.58559 kJ/mol # Calculated enthalpy of reaction SrCl+ # Enthalpy of formation: -169.79 kcal/mol - -analytic 9.4568e+001 3.9042e-002 -2.1458e+003 -4.0105e+001 -3.3511e+001 + -analytic 9.4568e+1 3.9042e-2 -2.1458e+3 -4.0105e+1 -3.3511e+1 # -Range: 0-300 -1.0000 Sr++ + 1.0000 F- = SrF+ - -llnl_gamma 4.0 - log_k +0.1393 - -delta_H 4.8116 kJ/mol # Calculated enthalpy of reaction SrF+ +Sr+2 + F- = SrF+ + -llnl_gamma 4 + log_k 0.1393 + -delta_H 4.8116 kJ/mol # Calculated enthalpy of reaction SrF+ # Enthalpy of formation: -210.67 kcal/mol - -analytic 9.0295e+001 3.7609e-002 -1.9012e+003 -3.8379e+001 -2.9693e+001 -# -Range: 0-300 - -1.0000 Sr++ + 1.0000 HPO4-- + 1.0000 H+ = SrH2PO4+ - -llnl_gamma 4.0 - log_k +0.7300 - -delta_H 0 # Not possible to calculate enthalpy of reaction SrH2PO4+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Sr++ + 1.0000 HPO4-- = SrHPO4 - -llnl_gamma 3.0 - log_k +2.0600 - -delta_H 0 # Not possible to calculate enthalpy of reaction SrHPO4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Sr++ + 1.0000 NO3- = SrNO3+ - -llnl_gamma 4.0 - log_k +0.8000 - -delta_H 0 # Not possible to calculate enthalpy of reaction SrNO3+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Sr++ + 1.0000 H2O = SrOH+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -13.29 - -delta_H 0 # Not possible to calculate enthalpy of reaction SrOH+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Sr++ = SrP2O7-- +1.0000 H2O - -llnl_gamma 4.0 - log_k +1.6537 - -delta_H 0 # Not possible to calculate enthalpy of reaction SrP2O7-2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Sr++ + 1.0000 SO4-- = SrSO4 - -llnl_gamma 3.0 - log_k +2.3000 - -delta_H 0 # Not possible to calculate enthalpy of reaction SrSO4 -# Enthalpy of formation: -0 kcal/mol - -2.0000 HAcetate + 1.0000 Tb+++ = Tb(Acetate)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -4.9625 - -delta_H -27.9491 kJ/mol # Calculated enthalpy of reaction Tb(Acetate)2+ + -analytic 9.0295e+1 3.7609e-2 -1.9012e+3 -3.8379e+1 -2.9693e+1 +# -Range: 0-300 + +Sr+2 + HPO4-2 + H+ = SrH2PO4+ + -llnl_gamma 4 + log_k 0.73 + -delta_H 0 # Not possible to calculate enthalpy of reaction SrH2PO4+ +# Enthalpy of formation: -0 kcal/mol + +Sr+2 + HPO4-2 = SrHPO4 + -llnl_gamma 3 + log_k 2.06 + -delta_H 0 # Not possible to calculate enthalpy of reaction SrHPO4 +# Enthalpy of formation: -0 kcal/mol + +Sr+2 + NO3- = SrNO3+ + -llnl_gamma 4 + log_k 0.8 + -delta_H 0 # Not possible to calculate enthalpy of reaction SrNO3+ +# Enthalpy of formation: -0 kcal/mol + +Sr+2 + H2O = SrOH+ + H+ + -llnl_gamma 4 + log_k -13.29 + -delta_H 0 # Not possible to calculate enthalpy of reaction SrOH+ +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Sr+2 = SrP2O7-2 + H2O + -llnl_gamma 4 + log_k 1.6537 + -delta_H 0 # Not possible to calculate enthalpy of reaction SrP2O7-2 +# Enthalpy of formation: -0 kcal/mol + +Sr+2 + SO4-2 = SrSO4 + -llnl_gamma 3 + log_k 2.3 + -delta_H 0 # Not possible to calculate enthalpy of reaction SrSO4 +# Enthalpy of formation: -0 kcal/mol + +2 HAcetate + Tb+3 = Tb(Acetate)2+ + 2 H+ + -llnl_gamma 4 + log_k -4.9625 + -delta_H -27.9491 kJ/mol # Calculated enthalpy of reaction Tb(Acetate)2+ # Enthalpy of formation: -405.78 kcal/mol - -analytic -2.3910e+001 1.3433e-003 -8.0800e+002 6.3895e+000 4.8619e+005 + -analytic -2.391e+1 1.3433e-3 -8.08e+2 6.3895e+0 4.8619e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Tb+++ = Tb(Acetate)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -8.3489 - -delta_H -47.1537 kJ/mol # Calculated enthalpy of reaction Tb(Acetate)3 +3 HAcetate + Tb+3 = Tb(Acetate)3 + 3 H+ + -llnl_gamma 3 + log_k -8.3489 + -delta_H -47.1537 kJ/mol # Calculated enthalpy of reaction Tb(Acetate)3 # Enthalpy of formation: -526.47 kcal/mol - -analytic -1.0762e+001 4.2361e-003 -1.5620e+003 -3.9317e-001 6.5745e+005 -# -Range: 0-300 - -2.0000 HCO3- + 1.0000 Tb+++ = Tb(CO3)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -7.5576 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tb(CO3)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Tb+++ = Tb(HPO4)2- - -llnl_gamma 4.0 - log_k +9.7000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tb(HPO4)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Tb+++ = Tb(PO4)2--- +2.0000 H+ - -llnl_gamma 4.0 - log_k -3.6437 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tb(PO4)2-3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 Tb+++ = Tb(SO4)2- - -llnl_gamma 4.0 - log_k +5.0000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tb(SO4)2- -# Enthalpy of formation: -0 kcal/mol - -1.0000 Tb+++ + 1.0000 HAcetate = TbAcetate++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -2.1037 - -delta_H -14.2256 kJ/mol # Calculated enthalpy of reaction TbAcetate+2 + -analytic -1.0762e+1 4.2361e-3 -1.562e+3 -3.9317e-1 6.5745e+5 +# -Range: 0-300 + +2 HCO3- + Tb+3 = Tb(CO3)2- + 2 H+ + -llnl_gamma 4 + log_k -7.5576 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tb(CO3)2- +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Tb+3 = Tb(HPO4)2- + -llnl_gamma 4 + log_k 9.7 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tb(HPO4)2- +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Tb+3 = Tb(PO4)2-3 + 2 H+ + -llnl_gamma 4 + log_k -3.6437 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tb(PO4)2-3 +# Enthalpy of formation: -0 kcal/mol + +2 SO4-2 + Tb+3 = Tb(SO4)2- + -llnl_gamma 4 + log_k 5 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tb(SO4)2- +# Enthalpy of formation: -0 kcal/mol + +Tb+3 + HAcetate = TbAcetate+2 + H+ + -llnl_gamma 4.5 + log_k -2.1037 + -delta_H -14.2256 kJ/mol # Calculated enthalpy of reaction TbAcetate+2 # Enthalpy of formation: -286.4 kcal/mol - -analytic -1.6817e+001 6.4290e-004 -3.4442e+002 5.0994e+000 2.7304e+005 + -analytic -1.6817e+1 6.429e-4 -3.4442e+2 5.0994e+0 2.7304e+5 # -Range: 0-300 -1.0000 Tb+++ + 1.0000 HCO3- = TbCO3+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.4057 - -delta_H 89.5292 kJ/mol # Calculated enthalpy of reaction TbCO3+ +Tb+3 + HCO3- = TbCO3+ + H+ + -llnl_gamma 4 + log_k -2.4057 + -delta_H 89.5292 kJ/mol # Calculated enthalpy of reaction TbCO3+ # Enthalpy of formation: -310.4 kcal/mol - -analytic 2.2347e+002 5.4185e-002 -6.4127e+003 -8.9112e+001 -1.0013e+002 + -analytic 2.2347e+2 5.4185e-2 -6.4127e+3 -8.9112e+1 -1.0013e+2 # -Range: 0-300 -1.0000 Tb+++ + 1.0000 Cl- = TbCl++ - -llnl_gamma 4.5 - log_k +0.2353 - -delta_H 13.9453 kJ/mol # Calculated enthalpy of reaction TbCl+2 +Tb+3 + Cl- = TbCl+2 + -llnl_gamma 4.5 + log_k 0.2353 + -delta_H 13.9453 kJ/mol # Calculated enthalpy of reaction TbCl+2 # Enthalpy of formation: -203.5 kcal/mol - -analytic 7.1095e+001 3.7367e-002 -1.4676e+003 -3.1140e+001 -2.2921e+001 + -analytic 7.1095e+1 3.7367e-2 -1.4676e+3 -3.114e+1 -2.2921e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Tb+++ = TbCl2+ - -llnl_gamma 4.0 - log_k -0.0425 - -delta_H 18.2673 kJ/mol # Calculated enthalpy of reaction TbCl2+ +2 Cl- + Tb+3 = TbCl2+ + -llnl_gamma 4 + log_k -0.0425 + -delta_H 18.2673 kJ/mol # Calculated enthalpy of reaction TbCl2+ # Enthalpy of formation: -242.4 kcal/mol - -analytic 2.0699e+002 7.9609e-002 -5.0958e+003 -8.6337e+001 -7.9576e+001 + -analytic 2.0699e+2 7.9609e-2 -5.0958e+3 -8.6337e+1 -7.9576e+1 # -Range: 0-300 -3.0000 Cl- + 1.0000 Tb+++ = TbCl3 - -llnl_gamma 3.0 - log_k -0.4669 - -delta_H 10.0374 kJ/mol # Calculated enthalpy of reaction TbCl3 +3 Cl- + Tb+3 = TbCl3 + -llnl_gamma 3 + log_k -0.4669 + -delta_H 10.0374 kJ/mol # Calculated enthalpy of reaction TbCl3 # Enthalpy of formation: -284.3 kcal/mol - -analytic 4.0764e+002 1.2809e-001 -1.0704e+004 -1.6583e+002 -1.6715e+002 + -analytic 4.0764e+2 1.2809e-1 -1.0704e+4 -1.6583e+2 -1.6715e+2 # -Range: 0-300 -4.0000 Cl- + 1.0000 Tb+++ = TbCl4- - -llnl_gamma 4.0 - log_k -0.8913 - -delta_H -11.5813 kJ/mol # Calculated enthalpy of reaction TbCl4- +4 Cl- + Tb+3 = TbCl4- + -llnl_gamma 4 + log_k -0.8913 + -delta_H -11.5813 kJ/mol # Calculated enthalpy of reaction TbCl4- # Enthalpy of formation: -329.4 kcal/mol - -analytic 4.6247e+002 1.2926e-001 -1.2117e+004 -1.8639e+002 -1.8921e+002 + -analytic 4.6247e+2 1.2926e-1 -1.2117e+4 -1.8639e+2 -1.8921e+2 # -Range: 0-300 -1.0000 Tb+++ + 1.0000 F- = TbF++ - -llnl_gamma 4.5 - log_k +4.6619 - -delta_H 22.8028 kJ/mol # Calculated enthalpy of reaction TbF+2 +Tb+3 + F- = TbF+2 + -llnl_gamma 4.5 + log_k 4.6619 + -delta_H 22.8028 kJ/mol # Calculated enthalpy of reaction TbF+2 # Enthalpy of formation: -241.6 kcal/mol - -analytic 9.2579e+001 4.1327e-002 -2.3647e+003 -3.7293e+001 -3.6927e+001 + -analytic 9.2579e+1 4.1327e-2 -2.3647e+3 -3.7293e+1 -3.6927e+1 # -Range: 0-300 -2.0000 F- + 1.0000 Tb+++ = TbF2+ - -llnl_gamma 4.0 - log_k +8.1510 - -delta_H 12.1336 kJ/mol # Calculated enthalpy of reaction TbF2+ +2 F- + Tb+3 = TbF2+ + -llnl_gamma 4 + log_k 8.151 + -delta_H 12.1336 kJ/mol # Calculated enthalpy of reaction TbF2+ # Enthalpy of formation: -324.3 kcal/mol - -analytic 2.3100e+002 8.4094e-002 -5.2548e+003 -9.3051e+001 -8.2065e+001 + -analytic 2.31e+2 8.4094e-2 -5.2548e+3 -9.3051e+1 -8.2065e+1 # -Range: 0-300 -3.0000 F- + 1.0000 Tb+++ = TbF3 - -llnl_gamma 3.0 - log_k +10.6872 - -delta_H -11.9244 kJ/mol # Calculated enthalpy of reaction TbF3 +3 F- + Tb+3 = TbF3 + -llnl_gamma 3 + log_k 10.6872 + -delta_H -11.9244 kJ/mol # Calculated enthalpy of reaction TbF3 # Enthalpy of formation: -410.2 kcal/mol - -analytic 4.3730e+002 1.3479e-001 -1.0128e+004 -1.7489e+002 -1.5817e+002 + -analytic 4.373e+2 1.3479e-1 -1.0128e+4 -1.7489e+2 -1.5817e+2 # -Range: 0-300 -4.0000 F- + 1.0000 Tb+++ = TbF4- - -llnl_gamma 4.0 - log_k +12.7836 - -delta_H -56.0656 kJ/mol # Calculated enthalpy of reaction TbF4- +4 F- + Tb+3 = TbF4- + -llnl_gamma 4 + log_k 12.7836 + -delta_H -56.0656 kJ/mol # Calculated enthalpy of reaction TbF4- # Enthalpy of formation: -500.9 kcal/mol - -analytic 4.8546e+002 1.3511e-001 -1.0189e+004 -1.9347e+002 -1.5913e+002 + -analytic 4.8546e+2 1.3511e-1 -1.0189e+4 -1.9347e+2 -1.5913e+2 # -Range: 0-300 -1.0000 Tb+++ + 1.0000 HPO4-- + 1.0000 H+ = TbH2PO4++ - -llnl_gamma 4.5 - log_k +9.3751 - -delta_H -17.51 kJ/mol # Calculated enthalpy of reaction TbH2PO4+2 +Tb+3 + HPO4-2 + H+ = TbH2PO4+2 + -llnl_gamma 4.5 + log_k 9.3751 + -delta_H -17.51 kJ/mol # Calculated enthalpy of reaction TbH2PO4+2 # Enthalpy of formation: -479.9 kcal/mol - -analytic 1.0042e+002 6.2886e-002 6.0975e+002 -4.5178e+001 9.4847e+000 + -analytic 1.0042e+2 6.2886e-2 6.0975e+2 -4.5178e+1 9.4847e+0 # -Range: 0-300 -1.0000 Tb+++ + 1.0000 HCO3- = TbHCO3++ - -llnl_gamma 4.5 - log_k +1.6991 - -delta_H -14.6524 kJ/mol # Calculated enthalpy of reaction TbHCO3+2 +Tb+3 + HCO3- = TbHCO3+2 + -llnl_gamma 4.5 + log_k 1.6991 + -delta_H -14.6524 kJ/mol # Calculated enthalpy of reaction TbHCO3+2 # Enthalpy of formation: -335.3 kcal/mol - -analytic 1.7376e+001 2.8365e-002 1.6982e+003 -1.2044e+001 2.6494e+001 + -analytic 1.7376e+1 2.8365e-2 1.6982e+3 -1.2044e+1 2.6494e+1 # -Range: 0-300 -1.0000 Tb+++ + 1.0000 HPO4-- = TbHPO4+ - -llnl_gamma 4.0 - log_k +5.8000 - -delta_H 0 # Not possible to calculate enthalpy of reaction TbHPO4+ +Tb+3 + HPO4-2 = TbHPO4+ + -llnl_gamma 4 + log_k 5.8 + -delta_H 0 # Not possible to calculate enthalpy of reaction TbHPO4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 Tb+++ + 1.0000 NO3- = TbNO3++ - -llnl_gamma 4.5 - log_k +0.5080 - -delta_H -31.2587 kJ/mol # Calculated enthalpy of reaction TbNO3+2 + +Tb+3 + NO3- = TbNO3+2 + -llnl_gamma 4.5 + log_k 0.508 + -delta_H -31.2587 kJ/mol # Calculated enthalpy of reaction TbNO3+2 # Enthalpy of formation: -223.8 kcal/mol - -analytic 8.7852e+000 2.4868e-002 2.5553e+003 -9.7944e+000 3.9871e+001 + -analytic 8.7852e+0 2.4868e-2 2.5553e+3 -9.7944e+0 3.9871e+1 # -Range: 0-300 -1.0000 Tb+++ + 1.0000 H2O = TbO+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -16.1904 - -delta_H 109.692 kJ/mol # Calculated enthalpy of reaction TbO+ +Tb+3 + H2O = TbO+ + 2 H+ + -llnl_gamma 4 + log_k -16.1904 + -delta_H 109.692 kJ/mol # Calculated enthalpy of reaction TbO+ # Enthalpy of formation: -209 kcal/mol - -analytic 1.7975e+002 2.9563e-002 -1.3407e+004 -6.4573e+001 -2.0926e+002 + -analytic 1.7975e+2 2.9563e-2 -1.3407e+4 -6.4573e+1 -2.0926e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Tb+++ = TbO2- +4.0000 H+ - -llnl_gamma 4.0 - log_k -34.2134 - -delta_H 278.797 kJ/mol # Calculated enthalpy of reaction TbO2- +2 H2O + Tb+3 = TbO2- + 4 H+ + -llnl_gamma 4 + log_k -34.2134 + -delta_H 278.797 kJ/mol # Calculated enthalpy of reaction TbO2- # Enthalpy of formation: -236.9 kcal/mol - -analytic 1.6924e+002 1.1804e-002 -1.9821e+004 -5.6781e+001 -3.0933e+002 + -analytic 1.6924e+2 1.1804e-2 -1.9821e+4 -5.6781e+1 -3.0933e+2 +# -Range: 0-300 + +2 H2O + Tb+3 = TbO2H + 3 H+ + -llnl_gamma 3 + log_k -25.0508 + -delta_H 219.802 kJ/mol # Calculated enthalpy of reaction TbO2H +# Enthalpy of formation: -251 kcal/mol + -analytic 3.2761e+2 4.5225e-2 -2.2652e+4 -1.1727e+2 -3.5356e+2 +# -Range: 0-300 + +Tb+3 + H2O = TbOH+2 + H+ + -llnl_gamma 4.5 + log_k -7.8342 + -delta_H 77.4751 kJ/mol # Calculated enthalpy of reaction TbOH+2 +# Enthalpy of formation: -216.7 kcal/mol + -analytic 5.9574e+1 1.1625e-2 -5.8143e+3 -2.0759e+1 -9.0744e+1 +# -Range: 0-300 + +Tb+3 + HPO4-2 = TbPO4 + H+ + -llnl_gamma 3 + log_k 0.0782 + -delta_H 0 # Not possible to calculate enthalpy of reaction TbPO4 +# Enthalpy of formation: -0 kcal/mol + +Tb+3 + SO4-2 = TbSO4+ + -llnl_gamma 4 + log_k 3.643 + -delta_H 19.6648 kJ/mol # Calculated enthalpy of reaction TbSO4+ +# Enthalpy of formation: -379.6 kcal/mol + -analytic 2.9633e+2 8.5155e-2 -8.6346e+3 -1.1682e+2 -1.3482e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Tb+++ = TbO2H +3.0000 H+ - -llnl_gamma 3.0 - log_k -25.0508 - -delta_H 219.802 kJ/mol # Calculated enthalpy of reaction TbO2H -# Enthalpy of formation: -251 kcal/mol - -analytic 3.2761e+002 4.5225e-002 -2.2652e+004 -1.1727e+002 -3.5356e+002 -# -Range: 0-300 +2 H2O + TcO+2 = TcO(OH)2 + 2 H+ + -llnl_gamma 3 + log_k -3.3221 + -delta_H 0 # Not possible to calculate enthalpy of reaction TcO(OH)2 +# Enthalpy of formation: -0 kcal/mol -1.0000 Tb+++ + 1.0000 H2O = TbOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -7.8342 - -delta_H 77.4751 kJ/mol # Calculated enthalpy of reaction TbOH+2 -# Enthalpy of formation: -216.7 kcal/mol - -analytic 5.9574e+001 1.1625e-002 -5.8143e+003 -2.0759e+001 -9.0744e+001 -# -Range: 0-300 +TcO+2 + H2O = TcOOH+ + H+ + -llnl_gamma 4 + log_k -1.1355 + -delta_H 0 # Not possible to calculate enthalpy of reaction TcOOH+ +# Enthalpy of formation: -0 kcal/mol -1.0000 Tb+++ + 1.0000 HPO4-- = TbPO4 +1.0000 H+ - -llnl_gamma 3.0 - log_k +0.0782 - -delta_H 0 # Not possible to calculate enthalpy of reaction TbPO4 +2 HPO4-2 + 2 H+ + Th+4 = Th(H2PO4)2+2 + -llnl_gamma 4.5 + log_k 23.207 + -delta_H 0 # Not possible to calculate enthalpy of reaction Th(H2PO4)2+2 # Enthalpy of formation: -0 kcal/mol - -1.0000 Tb+++ + 1.0000 SO4-- = TbSO4+ - -llnl_gamma 4.0 - log_k +3.6430 - -delta_H 19.6648 kJ/mol # Calculated enthalpy of reaction TbSO4+ -# Enthalpy of formation: -379.6 kcal/mol - -analytic 2.9633e+002 8.5155e-002 -8.6346e+003 -1.1682e+002 -1.3482e+002 -# -Range: 0-300 - -2.0000 H2O + 1.0000 TcO++ = TcO(OH)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -3.3221 - -delta_H 0 # Not possible to calculate enthalpy of reaction TcO(OH)2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 TcO++ + 1.0000 H2O = TcOOH+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -1.1355 - -delta_H 0 # Not possible to calculate enthalpy of reaction TcOOH+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 2.0000 H+ + 1.0000 Th++++ = Th(H2PO4)2++ - -llnl_gamma 4.5 - log_k +23.2070 - -delta_H 0 # Not possible to calculate enthalpy of reaction Th(H2PO4)2+2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Th++++ = Th(HPO4)2 - -llnl_gamma 3.0 - log_k +22.6939 - -delta_H -13.644 kJ/mol # Calculated enthalpy of reaction Th(HPO4)2 + +2 HPO4-2 + Th+4 = Th(HPO4)2 + -llnl_gamma 3 + log_k 22.6939 + -delta_H -13.644 kJ/mol # Calculated enthalpy of reaction Th(HPO4)2 # Enthalpy of formation: -804.691 kcal/mol - -analytic 6.5208e+002 2.3099e-001 -1.2990e+004 -2.6457e+002 -2.2082e+002 + -analytic 6.5208e+2 2.3099e-1 -1.299e+4 -2.6457e+2 -2.2082e+2 # -Range: 0-200 -3.0000 HPO4-- + 1.0000 Th++++ = Th(HPO4)3-- - -llnl_gamma 4.0 - log_k +31.1894 - -delta_H 0 # Not possible to calculate enthalpy of reaction Th(HPO4)3-2 +3 HPO4-2 + Th+4 = Th(HPO4)3-2 + -llnl_gamma 4 + log_k 31.1894 + -delta_H 0 # Not possible to calculate enthalpy of reaction Th(HPO4)3-2 # Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 Th++++ = Th(OH)2++ +2.0000 H+ - -llnl_gamma 4.5 - log_k -7.1068 - -delta_H 58.668 kJ/mol # Calculated enthalpy of reaction Th(OH)2+2 + +2 H2O + Th+4 = Th(OH)2+2 + 2 H+ + -llnl_gamma 4.5 + log_k -7.1068 + -delta_H 58.668 kJ/mol # Calculated enthalpy of reaction Th(OH)2+2 # Enthalpy of formation: -306.412 kcal/mol - -analytic -1.1274e+001 3.4195e-003 -3.7553e+002 3.1299e+000 -2.9696e+005 + -analytic -1.1274e+1 3.4195e-3 -3.7553e+2 3.1299e+0 -2.9696e+5 # -Range: 0-300 -3.0000 H2O + 1.0000 Th++++ = Th(OH)3+ +3.0000 H+ - -llnl_gamma 4.0 - log_k -11.8623 - -delta_H 86.1318 kJ/mol # Calculated enthalpy of reaction Th(OH)3+ +3 H2O + Th+4 = Th(OH)3+ + 3 H+ + -llnl_gamma 4 + log_k -11.8623 + -delta_H 86.1318 kJ/mol # Calculated enthalpy of reaction Th(OH)3+ # Enthalpy of formation: -368.165 kcal/mol -4.0000 H2O + 1.0000 Th++++ = Th(OH)4 +4.0000 H+ - -llnl_gamma 3.0 - log_k -16.0315 - -delta_H 104.01 kJ/mol # Calculated enthalpy of reaction Th(OH)4 +4 H2O + Th+4 = Th(OH)4 + 4 H+ + -llnl_gamma 3 + log_k -16.0315 + -delta_H 104.01 kJ/mol # Calculated enthalpy of reaction Th(OH)4 # Enthalpy of formation: -432.209 kcal/mol - -analytic 2.9534e+001 1.5550e-002 -5.6680e+003 -1.2598e+001 -9.6262e+001 + -analytic 2.9534e+1 1.555e-2 -5.668e+3 -1.2598e+1 -9.6262e+1 # -Range: 0-200 -2.0000 SO4-- + 1.0000 Th++++ = Th(SO4)2 - -llnl_gamma 3.0 - log_k +9.6170 - -delta_H 32.2377 kJ/mol # Calculated enthalpy of reaction Th(SO4)2 +2 SO4-2 + Th+4 = Th(SO4)2 + -llnl_gamma 3 + log_k 9.617 + -delta_H 32.2377 kJ/mol # Calculated enthalpy of reaction Th(SO4)2 # Enthalpy of formation: -610.895 kcal/mol - -analytic 4.6425e+002 1.6769e-001 -1.1195e+004 -1.8875e+002 -1.9027e+002 + -analytic 4.6425e+2 1.6769e-1 -1.1195e+4 -1.8875e+2 -1.9027e+2 # -Range: 0-200 -3.0000 SO4-- + 1.0000 Th++++ = Th(SO4)3-- - -llnl_gamma 4.0 - log_k +10.4014 - -delta_H 0 # Not possible to calculate enthalpy of reaction Th(SO4)3-2 +3 SO4-2 + Th+4 = Th(SO4)3-2 + -llnl_gamma 4 + log_k 10.4014 + -delta_H 0 # Not possible to calculate enthalpy of reaction Th(SO4)3-2 # Enthalpy of formation: -0 kcal/mol - -4.0000 SO4-- + 1.0000 Th++++ = Th(SO4)4---- - -llnl_gamma 4.0 - log_k +8.4003 - -delta_H 0 # Not possible to calculate enthalpy of reaction Th(SO4)4-4 + +4 SO4-2 + Th+4 = Th(SO4)4-4 + -llnl_gamma 4 + log_k 8.4003 + -delta_H 0 # Not possible to calculate enthalpy of reaction Th(SO4)4-4 # Enthalpy of formation: -0 kcal/mol - -2.0000 Th++++ + 2.0000 H2O = Th2(OH)2+6 +2.0000 H+ - -llnl_gamma 6.0 - log_k -6.4618 - -delta_H 63.7181 kJ/mol # Calculated enthalpy of reaction Th2(OH)2+6 + +2 Th+4 + 2 H2O = Th2(OH)2+6 + 2 H+ + -llnl_gamma 6 + log_k -6.4618 + -delta_H 63.7181 kJ/mol # Calculated enthalpy of reaction Th2(OH)2+6 # Enthalpy of formation: -489.005 kcal/mol - -analytic 6.8838e+001 -4.1348e-003 -6.4415e+003 -2.1200e+001 -1.0053e+002 + -analytic 6.8838e+1 -4.1348e-3 -6.4415e+3 -2.12e+1 -1.0053e+2 # -Range: 0-300 -8.0000 H2O + 4.0000 Th++++ = Th4(OH)8+8 +8.0000 H+ - -llnl_gamma 6.0 - log_k -21.7568 - -delta_H 245.245 kJ/mol # Calculated enthalpy of reaction Th4(OH)8+8 +8 H2O + 4 Th+4 = Th4(OH)8+8 + 8 H+ + -llnl_gamma 6 + log_k -21.7568 + -delta_H 245.245 kJ/mol # Calculated enthalpy of reaction Th4(OH)8+8 # Enthalpy of formation: -1223.12 kcal/mol - -analytic 2.7826e+002 -2.3504e-003 -2.4410e+004 -8.7873e+001 -3.8097e+002 + -analytic 2.7826e+2 -2.3504e-3 -2.441e+4 -8.7873e+1 -3.8097e+2 # -Range: 0-300 -15.0000 H2O + 6.0000 Th++++ = Th6(OH)15+9 +15.0000 H+ - -llnl_gamma 6.0 - log_k -37.7027 - -delta_H 458.248 kJ/mol # Calculated enthalpy of reaction Th6(OH)15+9 +15 H2O + 6 Th+4 = Th6(OH)15+9 + 15 H+ + -llnl_gamma 6 + log_k -37.7027 + -delta_H 458.248 kJ/mol # Calculated enthalpy of reaction Th6(OH)15+9 # Enthalpy of formation: -2018.03 kcal/mol - -analytic 5.2516e+002 3.3015e-003 -4.5237e+004 -1.6654e+002 -7.0603e+002 + -analytic 5.2516e+2 3.3015e-3 -4.5237e+4 -1.6654e+2 -7.0603e+2 # -Range: 0-300 -1.0000 Th++++ + 1.0000 Cl- = ThCl+++ - -llnl_gamma 5.0 - log_k +0.9536 - -delta_H 0.06276 kJ/mol # Calculated enthalpy of reaction ThCl+3 +Th+4 + Cl- = ThCl+3 + -llnl_gamma 5 + log_k 0.9536 + -delta_H 0.06276 kJ/mol # Calculated enthalpy of reaction ThCl+3 # Enthalpy of formation: -223.718 kcal/mol - -analytic 9.7430e+001 3.9398e-002 -1.8653e+003 -4.1202e+001 -2.9135e+001 -# -Range: 0-300 - -2.0000 Cl- + 1.0000 Th++++ = ThCl2++ - -llnl_gamma 4.5 - log_k +0.6758 - -delta_H 0 # Not possible to calculate enthalpy of reaction ThCl2+2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 Cl- + 1.0000 Th++++ = ThCl3+ - -llnl_gamma 4.0 - log_k +1.4975 - -delta_H 0 # Not possible to calculate enthalpy of reaction ThCl3+ -# Enthalpy of formation: -0 kcal/mol - -4.0000 Cl- + 1.0000 Th++++ = ThCl4 - -llnl_gamma 3.0 - log_k +1.0731 - -delta_H 0 # Not possible to calculate enthalpy of reaction ThCl4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Th++++ + 1.0000 F- = ThF+++ - -llnl_gamma 5.0 - log_k +7.8725 - -delta_H -4.87436 kJ/mol # Calculated enthalpy of reaction ThF+3 + -analytic 9.743e+1 3.9398e-2 -1.8653e+3 -4.1202e+1 -2.9135e+1 +# -Range: 0-300 + +2 Cl- + Th+4 = ThCl2+2 + -llnl_gamma 4.5 + log_k 0.6758 + -delta_H 0 # Not possible to calculate enthalpy of reaction ThCl2+2 +# Enthalpy of formation: -0 kcal/mol + +3 Cl- + Th+4 = ThCl3+ + -llnl_gamma 4 + log_k 1.4975 + -delta_H 0 # Not possible to calculate enthalpy of reaction ThCl3+ +# Enthalpy of formation: -0 kcal/mol + +4 Cl- + Th+4 = ThCl4 + -llnl_gamma 3 + log_k 1.0731 + -delta_H 0 # Not possible to calculate enthalpy of reaction ThCl4 +# Enthalpy of formation: -0 kcal/mol + +Th+4 + F- = ThF+3 + -llnl_gamma 5 + log_k 7.8725 + -delta_H -4.87436 kJ/mol # Calculated enthalpy of reaction ThF+3 # Enthalpy of formation: -265.115 kcal/mol - -analytic 1.1679e+002 3.9201e-002 -2.2118e+003 -4.5736e+001 -3.4548e+001 + -analytic 1.1679e+2 3.9201e-2 -2.2118e+3 -4.5736e+1 -3.4548e+1 # -Range: 0-300 -2.0000 F- + 1.0000 Th++++ = ThF2++ - -llnl_gamma 4.5 - log_k +14.0884 - -delta_H -7.77806 kJ/mol # Calculated enthalpy of reaction ThF2+2 +2 F- + Th+4 = ThF2+2 + -llnl_gamma 4.5 + log_k 14.0884 + -delta_H -7.77806 kJ/mol # Calculated enthalpy of reaction ThF2+2 # Enthalpy of formation: -345.959 kcal/mol - -analytic 2.3200e+002 7.9567e-002 -4.4418e+003 -9.1617e+001 -6.9379e+001 + -analytic 2.32e+2 7.9567e-2 -4.4418e+3 -9.1617e+1 -6.9379e+1 # -Range: 0-300 -3.0000 F- + 1.0000 Th++++ = ThF3+ - -llnl_gamma 4.0 - log_k +18.7357 - -delta_H -11.7068 kJ/mol # Calculated enthalpy of reaction ThF3+ +3 F- + Th+4 = ThF3+ + -llnl_gamma 4 + log_k 18.7357 + -delta_H -11.7068 kJ/mol # Calculated enthalpy of reaction ThF3+ # Enthalpy of formation: -427.048 kcal/mol - -analytic 3.4511e+002 1.2149e-001 -6.5065e+003 -1.3770e+002 -1.0163e+002 + -analytic 3.4511e+2 1.2149e-1 -6.5065e+3 -1.377e+2 -1.0163e+2 # -Range: 0-300 -4.0000 F- + 1.0000 Th++++ = ThF4 - -llnl_gamma 3.0 - log_k +22.1515 - -delta_H -14.8448 kJ/mol # Calculated enthalpy of reaction ThF4 +4 F- + Th+4 = ThF4 + -llnl_gamma 3 + log_k 22.1515 + -delta_H -14.8448 kJ/mol # Calculated enthalpy of reaction ThF4 # Enthalpy of formation: -507.948 kcal/mol - -analytic 6.1206e+002 2.1878e-001 -1.1938e+004 -2.4857e+002 -2.0294e+002 + -analytic 6.1206e+2 2.1878e-1 -1.1938e+4 -2.4857e+2 -2.0294e+2 # -Range: 0-200 -1.0000 Th++++ + 1.0000 HPO4-- + 1.0000 H+ = ThH2PO4+++ - -llnl_gamma 5.0 - log_k +11.7061 - -delta_H 0 # Not possible to calculate enthalpy of reaction ThH2PO4+3 +Th+4 + HPO4-2 + H+ = ThH2PO4+3 + -llnl_gamma 5 + log_k 11.7061 + -delta_H 0 # Not possible to calculate enthalpy of reaction ThH2PO4+3 # Enthalpy of formation: -0 kcal/mol - -2.0000 H+ + 1.0000 Th++++ + 1.0000 HPO4-- = ThH3PO4++++ - -llnl_gamma 5.5 - log_k +11.1197 - -delta_H 0 # Not possible to calculate enthalpy of reaction ThH3PO4+4 + +2 H+ + Th+4 + HPO4-2 = ThH3PO4+4 + -llnl_gamma 5.5 + log_k 11.1197 + -delta_H 0 # Not possible to calculate enthalpy of reaction ThH3PO4+4 # Enthalpy of formation: -0 kcal/mol - -1.0000 Th++++ + 1.0000 HPO4-- = ThHPO4++ - -llnl_gamma 4.5 - log_k +10.6799 - -delta_H 0.1046 kJ/mol # Calculated enthalpy of reaction ThHPO4+2 + +Th+4 + HPO4-2 = ThHPO4+2 + -llnl_gamma 4.5 + log_k 10.6799 + -delta_H 0.1046 kJ/mol # Calculated enthalpy of reaction ThHPO4+2 # Enthalpy of formation: -492.59 kcal/mol -1.0000 Th++++ + 1.0000 H2O = ThOH+++ +1.0000 H+ - -llnl_gamma 5.0 - log_k -3.8871 - -delta_H 25.0275 kJ/mol # Calculated enthalpy of reaction ThOH+3 +Th+4 + H2O = ThOH+3 + H+ + -llnl_gamma 5 + log_k -3.8871 + -delta_H 25.0275 kJ/mol # Calculated enthalpy of reaction ThOH+3 # Enthalpy of formation: -1029.83 kJ/mol - -analytic 1.0495e+001 5.1532e-003 -8.6396e+002 -4.8420e+000 -9.2609e+004 + -analytic 1.0495e+1 5.1532e-3 -8.6396e+2 -4.842e+0 -9.2609e+4 # -Range: 0-300 -1.0000 Th++++ + 1.0000 SO4-- = ThSO4++ - -llnl_gamma 4.5 - log_k +5.3143 - -delta_H 16.3511 kJ/mol # Calculated enthalpy of reaction ThSO4+2 +Th+4 + SO4-2 = ThSO4+2 + -llnl_gamma 4.5 + log_k 5.3143 + -delta_H 16.3511 kJ/mol # Calculated enthalpy of reaction ThSO4+2 # Enthalpy of formation: -397.292 kcal/mol - -analytic 1.9443e+002 7.5245e-002 -4.5010e+003 -7.9379e+001 -7.0291e+001 + -analytic 1.9443e+2 7.5245e-2 -4.501e+3 -7.9379e+1 -7.0291e+1 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Tl+ = Tl(Acetate)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -10.0129 - -delta_H 1.2552 kJ/mol # Calculated enthalpy of reaction Tl(Acetate)2- +2 HAcetate + Tl+ = Tl(Acetate)2- + 2 H+ + -llnl_gamma 4 + log_k -10.0129 + -delta_H 1.2552 kJ/mol # Calculated enthalpy of reaction Tl(Acetate)2- # Enthalpy of formation: -230.62 kcal/mol - -analytic -1.8123e+002 -4.0616e-002 5.0741e+003 6.7216e+001 7.9229e+001 + -analytic -1.8123e+2 -4.0616e-2 5.0741e+3 6.7216e+1 7.9229e+1 # -Range: 0-300 -1.0000 Tl+ + 1.0000 HAcetate = TlAcetate +1.0000 H+ - -llnl_gamma 3.0 - log_k -4.8672 - -delta_H 6.15048 kJ/mol # Calculated enthalpy of reaction TlAcetate +Tl+ + HAcetate = TlAcetate + H+ + -llnl_gamma 3 + log_k -4.8672 + -delta_H 6.15048 kJ/mol # Calculated enthalpy of reaction TlAcetate # Enthalpy of formation: -113.35 kcal/mol - -analytic 9.2977e+000 -3.4368e-003 -2.1748e+003 -3.1454e+000 1.7273e+005 + -analytic 9.2977e+0 -3.4368e-3 -2.1748e+3 -3.1454e+0 1.7273e+5 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Tm+++ = Tm(Acetate)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -4.9844 - -delta_H -32.5934 kJ/mol # Calculated enthalpy of reaction Tm(Acetate)2+ +2 HAcetate + Tm+3 = Tm(Acetate)2+ + 2 H+ + -llnl_gamma 4 + log_k -4.9844 + -delta_H -32.5934 kJ/mol # Calculated enthalpy of reaction Tm(Acetate)2+ # Enthalpy of formation: -408.49 kcal/mol - -analytic -2.8983e+001 2.0256e-003 -1.1525e+003 8.2163e+000 6.1820e+005 + -analytic -2.8983e+1 2.0256e-3 -1.1525e+3 8.2163e+0 6.182e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Tm+++ = Tm(Acetate)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -8.3783 - -delta_H -54.8104 kJ/mol # Calculated enthalpy of reaction Tm(Acetate)3 +3 HAcetate + Tm+3 = Tm(Acetate)3 + 3 H+ + -llnl_gamma 3 + log_k -8.3783 + -delta_H -54.8104 kJ/mol # Calculated enthalpy of reaction Tm(Acetate)3 # Enthalpy of formation: -529.9 kcal/mol - -analytic -2.8900e+001 4.9633e-003 -1.6574e+003 6.0186e+000 8.6624e+005 -# -Range: 0-300 - -2.0000 HCO3- + 1.0000 Tm+++ = Tm(CO3)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -7.1576 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tm(CO3)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Tm+++ = Tm(HPO4)2- - -llnl_gamma 4.0 - log_k +10.1000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tm(HPO4)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Tm+++ = Tm(PO4)2--- +2.0000 H+ - -llnl_gamma 4.0 - log_k -3.0437 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tm(PO4)2-3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 Tm+++ = Tm(SO4)2- - -llnl_gamma 4.0 - log_k +5.1000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tm(SO4)2- -# Enthalpy of formation: -0 kcal/mol - -1.0000 Tm+++ + 1.0000 HAcetate = TmAcetate++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -2.1184 - -delta_H -16.3176 kJ/mol # Calculated enthalpy of reaction TmAcetate+2 + -analytic -2.89e+1 4.9633e-3 -1.6574e+3 6.0186e+0 8.6624e+5 +# -Range: 0-300 + +2 HCO3- + Tm+3 = Tm(CO3)2- + 2 H+ + -llnl_gamma 4 + log_k -7.1576 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tm(CO3)2- +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Tm+3 = Tm(HPO4)2- + -llnl_gamma 4 + log_k 10.1 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tm(HPO4)2- +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Tm+3 = Tm(PO4)2-3 + 2 H+ + -llnl_gamma 4 + log_k -3.0437 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tm(PO4)2-3 +# Enthalpy of formation: -0 kcal/mol + +2 SO4-2 + Tm+3 = Tm(SO4)2- + -llnl_gamma 4 + log_k 5.1 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tm(SO4)2- +# Enthalpy of formation: -0 kcal/mol + +Tm+3 + HAcetate = TmAcetate+2 + H+ + -llnl_gamma 4.5 + log_k -2.1184 + -delta_H -16.3176 kJ/mol # Calculated enthalpy of reaction TmAcetate+2 # Enthalpy of formation: -288.5 kcal/mol - -analytic -1.6068e+001 1.2043e-003 -6.2777e+002 4.8318e+000 3.3363e+005 + -analytic -1.6068e+1 1.2043e-3 -6.2777e+2 4.8318e+0 3.3363e+5 # -Range: 0-300 -1.0000 Tm+++ + 1.0000 HCO3- = TmCO3+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.1125 - -delta_H 86.6004 kJ/mol # Calculated enthalpy of reaction TmCO3+ +Tm+3 + HCO3- = TmCO3+ + H+ + -llnl_gamma 4 + log_k -2.1125 + -delta_H 86.6004 kJ/mol # Calculated enthalpy of reaction TmCO3+ # Enthalpy of formation: -312.7 kcal/mol - -analytic 2.3889e+002 5.4733e-002 -6.9382e+003 -9.4581e+001 -1.0833e+002 + -analytic 2.3889e+2 5.4733e-2 -6.9382e+3 -9.4581e+1 -1.0833e+2 # -Range: 0-300 -1.0000 Tm+++ + 1.0000 Cl- = TmCl++ - -llnl_gamma 4.5 - log_k +0.2353 - -delta_H 13.1085 kJ/mol # Calculated enthalpy of reaction TmCl+2 +Tm+3 + Cl- = TmCl+2 + -llnl_gamma 4.5 + log_k 0.2353 + -delta_H 13.1085 kJ/mol # Calculated enthalpy of reaction TmCl+2 # Enthalpy of formation: -205.3 kcal/mol - -analytic 7.4795e+001 3.7655e-002 -1.5701e+003 -3.2531e+001 -2.4523e+001 + -analytic 7.4795e+1 3.7655e-2 -1.5701e+3 -3.2531e+1 -2.4523e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Tm+++ = TmCl2+ - -llnl_gamma 4.0 - log_k -0.0425 - -delta_H 15.7569 kJ/mol # Calculated enthalpy of reaction TmCl2+ +2 Cl- + Tm+3 = TmCl2+ + -llnl_gamma 4 + log_k -0.0425 + -delta_H 15.7569 kJ/mol # Calculated enthalpy of reaction TmCl2+ # Enthalpy of formation: -244.6 kcal/mol - -analytic 2.0352e+002 7.9173e-002 -4.8574e+003 -8.5202e+001 -7.5855e+001 + -analytic 2.0352e+2 7.9173e-2 -4.8574e+3 -8.5202e+1 -7.5855e+1 # -Range: 0-300 -3.0000 Cl- + 1.0000 Tm+++ = TmCl3 - -llnl_gamma 3.0 - log_k -0.4669 - -delta_H 5.43502 kJ/mol # Calculated enthalpy of reaction TmCl3 +3 Cl- + Tm+3 = TmCl3 + -llnl_gamma 3 + log_k -0.4669 + -delta_H 5.43502 kJ/mol # Calculated enthalpy of reaction TmCl3 # Enthalpy of formation: -287 kcal/mol - -analytic 3.9793e+002 1.2777e-001 -1.0070e+004 -1.6272e+002 -1.5725e+002 + -analytic 3.9793e+2 1.2777e-1 -1.007e+4 -1.6272e+2 -1.5725e+2 # -Range: 0-300 -4.0000 Cl- + 1.0000 Tm+++ = TmCl4- - -llnl_gamma 4.0 - log_k -0.8913 - -delta_H -20.3677 kJ/mol # Calculated enthalpy of reaction TmCl4- +4 Cl- + Tm+3 = TmCl4- + -llnl_gamma 4 + log_k -0.8913 + -delta_H -20.3677 kJ/mol # Calculated enthalpy of reaction TmCl4- # Enthalpy of formation: -333.1 kcal/mol - -analytic 4.3574e+002 1.2655e-001 -1.0713e+004 -1.7716e+002 -1.6730e+002 + -analytic 4.3574e+2 1.2655e-1 -1.0713e+4 -1.7716e+2 -1.673e+2 # -Range: 0-300 -1.0000 Tm+++ + 1.0000 F- = TmF++ - -llnl_gamma 4.5 - log_k +4.8085 - -delta_H 23.6396 kJ/mol # Calculated enthalpy of reaction TmF+2 +Tm+3 + F- = TmF+2 + -llnl_gamma 4.5 + log_k 4.8085 + -delta_H 23.6396 kJ/mol # Calculated enthalpy of reaction TmF+2 # Enthalpy of formation: -243 kcal/mol - -analytic 9.7686e+001 4.1890e-002 -2.5909e+003 -3.9059e+001 -4.0457e+001 + -analytic 9.7686e+1 4.189e-2 -2.5909e+3 -3.9059e+1 -4.0457e+1 # -Range: 0-300 -2.0000 F- + 1.0000 Tm+++ = TmF2+ - -llnl_gamma 4.0 - log_k +8.3709 - -delta_H 12.552 kJ/mol # Calculated enthalpy of reaction TmF2+ +2 F- + Tm+3 = TmF2+ + -llnl_gamma 4 + log_k 8.3709 + -delta_H 12.552 kJ/mol # Calculated enthalpy of reaction TmF2+ # Enthalpy of formation: -325.8 kcal/mol - -analytic 2.2986e+002 8.4119e-002 -5.2144e+003 -9.2558e+001 -8.1433e+001 + -analytic 2.2986e+2 8.4119e-2 -5.2144e+3 -9.2558e+1 -8.1433e+1 # -Range: 0-300 -3.0000 F- + 1.0000 Tm+++ = TmF3 - -llnl_gamma 3.0 - log_k +10.9804 - -delta_H -12.7612 kJ/mol # Calculated enthalpy of reaction TmF3 +3 F- + Tm+3 = TmF3 + -llnl_gamma 3 + log_k 10.9804 + -delta_H -12.7612 kJ/mol # Calculated enthalpy of reaction TmF3 # Enthalpy of formation: -412 kcal/mol - -analytic 4.2855e+002 1.3445e-001 -9.7045e+003 -1.7177e+002 -1.5156e+002 + -analytic 4.2855e+2 1.3445e-1 -9.7045e+3 -1.7177e+2 -1.5156e+2 # -Range: 0-300 -4.0000 F- + 1.0000 Tm+++ = TmF4- - -llnl_gamma 4.0 - log_k +13.1501 - -delta_H -60.668 kJ/mol # Calculated enthalpy of reaction TmF4- +4 F- + Tm+3 = TmF4- + -llnl_gamma 4 + log_k 13.1501 + -delta_H -60.668 kJ/mol # Calculated enthalpy of reaction TmF4- # Enthalpy of formation: -503.6 kcal/mol - -analytic 4.6559e+002 1.3386e-001 -9.1790e+003 -1.8650e+002 -1.4337e+002 + -analytic 4.6559e+2 1.3386e-1 -9.179e+3 -1.865e+2 -1.4337e+2 # -Range: 0-300 -1.0000 Tm+++ + 1.0000 HPO4-- + 1.0000 H+ = TmH2PO4++ - -llnl_gamma 4.5 - log_k +9.4484 - -delta_H -20.4388 kJ/mol # Calculated enthalpy of reaction TmH2PO4+2 +Tm+3 + HPO4-2 + H+ = TmH2PO4+2 + -llnl_gamma 4.5 + log_k 9.4484 + -delta_H -20.4388 kJ/mol # Calculated enthalpy of reaction TmH2PO4+2 # Enthalpy of formation: -482.2 kcal/mol - -analytic 1.0360e+002 6.3085e-002 6.0731e+002 -4.6456e+001 9.4456e+000 + -analytic 1.036e+2 6.3085e-2 6.0731e+2 -4.6456e+1 9.4456e+0 # -Range: 0-300 -1.0000 Tm+++ + 1.0000 HCO3- = TmHCO3++ - -llnl_gamma 4.5 - log_k +1.7724 - -delta_H 5.01243 kJ/mol # Calculated enthalpy of reaction TmHCO3+2 +Tm+3 + HCO3- = TmHCO3+2 + -llnl_gamma 4.5 + log_k 1.7724 + -delta_H 5.01243 kJ/mol # Calculated enthalpy of reaction TmHCO3+2 # Enthalpy of formation: -332.2 kcal/mol - -analytic 3.3102e+001 3.1010e-002 2.9880e+002 -1.6791e+001 4.6524e+000 + -analytic 3.3102e+1 3.101e-2 2.988e+2 -1.6791e+1 4.6524e+0 # -Range: 0-300 -1.0000 Tm+++ + 1.0000 HPO4-- = TmHPO4+ - -llnl_gamma 4.0 - log_k +5.9000 - -delta_H 0 # Not possible to calculate enthalpy of reaction TmHPO4+ +Tm+3 + HPO4-2 = TmHPO4+ + -llnl_gamma 4 + log_k 5.9 + -delta_H 0 # Not possible to calculate enthalpy of reaction TmHPO4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 Tm+++ + 1.0000 NO3- = TmNO3++ - -llnl_gamma 4.5 - log_k +0.2148 - -delta_H -33.7691 kJ/mol # Calculated enthalpy of reaction TmNO3+2 + +Tm+3 + NO3- = TmNO3+2 + -llnl_gamma 4.5 + log_k 0.2148 + -delta_H -33.7691 kJ/mol # Calculated enthalpy of reaction TmNO3+2 # Enthalpy of formation: -226 kcal/mol - -analytic 1.1085e+001 2.4898e-002 2.5664e+003 -1.0861e+001 4.0043e+001 + -analytic 1.1085e+1 2.4898e-2 2.5664e+3 -1.0861e+1 4.0043e+1 # -Range: 0-300 -1.0000 Tm+++ + 1.0000 H2O = TmO+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -15.8972 - -delta_H 105.508 kJ/mol # Calculated enthalpy of reaction TmO+ +Tm+3 + H2O = TmO+ + 2 H+ + -llnl_gamma 4 + log_k -15.8972 + -delta_H 105.508 kJ/mol # Calculated enthalpy of reaction TmO+ # Enthalpy of formation: -211.6 kcal/mol - -analytic 1.7572e+002 2.8756e-002 -1.3096e+004 -6.3150e+001 -2.0441e+002 + -analytic 1.7572e+2 2.8756e-2 -1.3096e+4 -6.315e+1 -2.0441e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Tm+++ = TmO2- +4.0000 H+ - -llnl_gamma 4.0 - log_k -32.6741 - -delta_H 266.663 kJ/mol # Calculated enthalpy of reaction TmO2- +2 H2O + Tm+3 = TmO2- + 4 H+ + -llnl_gamma 4 + log_k -32.6741 + -delta_H 266.663 kJ/mol # Calculated enthalpy of reaction TmO2- # Enthalpy of formation: -241.4 kcal/mol - -analytic 3.3118e+001 -5.2802e-003 -1.1318e+004 -8.4764e+000 -4.6998e+005 + -analytic 3.3118e+1 -5.2802e-3 -1.1318e+4 -8.4764e+0 -4.6998e+5 # -Range: 0-300 -2.0000 H2O + 1.0000 Tm+++ = TmO2H +3.0000 H+ - -llnl_gamma 3.0 - log_k -24.1712 - -delta_H 211.853 kJ/mol # Calculated enthalpy of reaction TmO2H +2 H2O + Tm+3 = TmO2H + 3 H+ + -llnl_gamma 3 + log_k -24.1712 + -delta_H 211.853 kJ/mol # Calculated enthalpy of reaction TmO2H # Enthalpy of formation: -254.5 kcal/mol - -analytic 3.1648e+002 4.4527e-002 -2.1821e+004 -1.1345e+002 -3.4059e+002 + -analytic 3.1648e+2 4.4527e-2 -2.1821e+4 -1.1345e+2 -3.4059e+2 # -Range: 0-300 -1.0000 Tm+++ + 1.0000 H2O = TmOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -7.6876 - -delta_H 74.5463 kJ/mol # Calculated enthalpy of reaction TmOH+2 +Tm+3 + H2O = TmOH+2 + H+ + -llnl_gamma 4.5 + log_k -7.6876 + -delta_H 74.5463 kJ/mol # Calculated enthalpy of reaction TmOH+2 # Enthalpy of formation: -219 kcal/mol - -analytic 5.7572e+001 1.1162e-002 -5.6381e+003 -2.0074e+001 -8.7994e+001 + -analytic 5.7572e+1 1.1162e-2 -5.6381e+3 -2.0074e+1 -8.7994e+1 # -Range: 0-300 -1.0000 Tm+++ + 1.0000 HPO4-- = TmPO4 +1.0000 H+ - -llnl_gamma 3.0 - log_k +0.4782 - -delta_H 0 # Not possible to calculate enthalpy of reaction TmPO4 +Tm+3 + HPO4-2 = TmPO4 + H+ + -llnl_gamma 3 + log_k 0.4782 + -delta_H 0 # Not possible to calculate enthalpy of reaction TmPO4 # Enthalpy of formation: -0 kcal/mol - -1.0000 Tm+++ + 1.0000 SO4-- = TmSO4+ - -llnl_gamma 4.0 - log_k +3.5697 - -delta_H 19.9995 kJ/mol # Calculated enthalpy of reaction TmSO4+ + +Tm+3 + SO4-2 = TmSO4+ + -llnl_gamma 4 + log_k 3.5697 + -delta_H 19.9995 kJ/mol # Calculated enthalpy of reaction TmSO4+ # Enthalpy of formation: -381.12 kcal/mol - -analytic 3.0441e+002 8.6070e-002 -8.9592e+003 -1.1979e+002 -1.3989e+002 + -analytic 3.0441e+2 8.607e-2 -8.9592e+3 -1.1979e+2 -1.3989e+2 # -Range: 0-300 -4.0000 HCO3- + 1.0000 U++++ = U(CO3)4---- +4.0000 H+ - -llnl_gamma 4.0 - log_k -6.2534 - -delta_H 0 # Not possible to calculate enthalpy of reaction U(CO3)4-4 +4 HCO3- + U+4 = U(CO3)4-4 + 4 H+ + -llnl_gamma 4 + log_k -6.2534 + -delta_H 0 # Not possible to calculate enthalpy of reaction U(CO3)4-4 # Enthalpy of formation: -0 kcal/mol - -5.0000 HCO3- + 1.0000 U++++ = U(CO3)5-6 +5.0000 H+ - -llnl_gamma 4.0 - log_k -17.7169 - -delta_H 53.5172 kJ/mol # Calculated enthalpy of reaction U(CO3)5-6 + +5 HCO3- + U+4 = U(CO3)5-6 + 5 H+ + -llnl_gamma 4 + log_k -17.7169 + -delta_H 53.5172 kJ/mol # Calculated enthalpy of reaction U(CO3)5-6 # Enthalpy of formation: -3987.35 kJ/mol - -analytic 6.3020e+002 1.9391e-001 -1.9238e+004 -2.5912e+002 -3.0038e+002 + -analytic 6.302e+2 1.9391e-1 -1.9238e+4 -2.5912e+2 -3.0038e+2 # -Range: 0-300 -2.0000 NO3- + 1.0000 U++++ = U(NO3)2++ - -llnl_gamma 4.5 - log_k +2.2610 - -delta_H 0 # Not possible to calculate enthalpy of reaction U(NO3)2+2 +2 NO3- + U+4 = U(NO3)2+2 + -llnl_gamma 4.5 + log_k 2.261 + -delta_H 0 # Not possible to calculate enthalpy of reaction U(NO3)2+2 # Enthalpy of formation: -0 kcal/mol - -4.0000 H2O + 1.0000 U++++ = U(OH)4 +4.0000 H+ - -llnl_gamma 3.0 - log_k -4.57 - -delta_H 78.7553 kJ/mol # Calculated enthalpy of reaction U(OH)4 + +4 H2O + U+4 = U(OH)4 + 4 H+ + -llnl_gamma 3 + log_k -4.57 + -delta_H 78.7553 kJ/mol # Calculated enthalpy of reaction U(OH)4 # Enthalpy of formation: -1655.8 kJ/mol - -analytic 2.6685e+002 9.8204e-002 -9.4428e+003 -1.0871e+002 -1.6045e+002 + -analytic 2.6685e+2 9.8204e-2 -9.4428e+3 -1.0871e+2 -1.6045e+2 # -Range: 0-200 -2.0000 Thiocyanate- + 1.0000 U++++ = U(Thiocyanate)2++ - -llnl_gamma 4.5 - log_k +4.2600 - -delta_H 0 # Not possible to calculate enthalpy of reaction U(Thiocyanate)2+2 +2 Thiocyanate- + U+4 = U(Thiocyanate)2+2 + -llnl_gamma 4.5 + log_k 4.26 + -delta_H 0 # Not possible to calculate enthalpy of reaction U(Thiocyanate)2+2 # Enthalpy of formation: -456.4 kJ/mol - -analytic 6.2193e+000 2.7673e-002 2.4326e+003 -7.4158e+000 3.7957e+001 + -analytic 6.2193e+0 2.7673e-2 2.4326e+3 -7.4158e+0 3.7957e+1 # -Range: 0-300 -2.0000 SO4-- + 1.0000 U++++ = U(SO4)2 - -llnl_gamma 3.0 - log_k +10.3507 - -delta_H 33.2232 kJ/mol # Calculated enthalpy of reaction U(SO4)2 +2 SO4-2 + U+4 = U(SO4)2 + -llnl_gamma 3 + log_k 10.3507 + -delta_H 33.2232 kJ/mol # Calculated enthalpy of reaction U(SO4)2 # Enthalpy of formation: -2377.18 kJ/mol - -analytic 4.9476e+002 1.7832e-001 -1.1901e+004 -2.0111e+002 -2.0227e+002 + -analytic 4.9476e+2 1.7832e-1 -1.1901e+4 -2.0111e+2 -2.0227e+2 # -Range: 0-200 -1.0000 U++++ + 1.0000 Br- = UBr+++ - -llnl_gamma 5.0 - log_k +1.4240 - -delta_H 0 # Not possible to calculate enthalpy of reaction UBr+3 +U+4 + Br- = UBr+3 + -llnl_gamma 5 + log_k 1.424 + -delta_H 0 # Not possible to calculate enthalpy of reaction UBr+3 # Enthalpy of formation: -0 kcal/mol - -1.0000 U++++ + 1.0000 Cl- = UCl+++ - -llnl_gamma 5.0 - log_k +1.7073 - -delta_H -18.9993 kJ/mol # Calculated enthalpy of reaction UCl+3 + +U+4 + Cl- = UCl+3 + -llnl_gamma 5 + log_k 1.7073 + -delta_H -18.9993 kJ/mol # Calculated enthalpy of reaction UCl+3 # Enthalpy of formation: -777.279 kJ/mol - -analytic 9.4418e+001 4.1718e-002 -7.0675e+002 -4.1532e+001 -1.1056e+001 + -analytic 9.4418e+1 4.1718e-2 -7.0675e+2 -4.1532e+1 -1.1056e+1 # -Range: 0-300 -1.0000 U++++ + 1.0000 F- = UF+++ - -llnl_gamma 5.0 - log_k +9.2403 - -delta_H -5.6024 kJ/mol # Calculated enthalpy of reaction UF+3 +U+4 + F- = UF+3 + -llnl_gamma 5 + log_k 9.2403 + -delta_H -5.6024 kJ/mol # Calculated enthalpy of reaction UF+3 # Enthalpy of formation: -932.15 kJ/mol - -analytic 1.1828e+002 3.8097e-002 -2.2531e+003 -4.5594e+001 -3.5193e+001 + -analytic 1.1828e+2 3.8097e-2 -2.2531e+3 -4.5594e+1 -3.5193e+1 # -Range: 0-300 -2.0000 F- + 1.0000 U++++ = UF2++ - -llnl_gamma 4.5 - log_k +16.1505 - -delta_H -3.5048 kJ/mol # Calculated enthalpy of reaction UF2+2 +2 F- + U+4 = UF2+2 + -llnl_gamma 4.5 + log_k 16.1505 + -delta_H -3.5048 kJ/mol # Calculated enthalpy of reaction UF2+2 # Enthalpy of formation: -1265.4 kJ/mol - -analytic 2.3537e+002 7.7064e-002 -4.8455e+003 -9.1296e+001 -7.5679e+001 + -analytic 2.3537e+2 7.7064e-2 -4.8455e+3 -9.1296e+1 -7.5679e+1 # -Range: 0-300 -3.0000 F- + 1.0000 U++++ = UF3+ - -llnl_gamma 4.0 - log_k +21.4806 - -delta_H 0.4938 kJ/mol # Calculated enthalpy of reaction UF3+ +3 F- + U+4 = UF3+ + -llnl_gamma 4 + log_k 21.4806 + -delta_H 0.4938 kJ/mol # Calculated enthalpy of reaction UF3+ # Enthalpy of formation: -1596.75 kJ/mol - -analytic 3.5097e+002 1.1714e-001 -7.4569e+003 -1.3714e+002 -1.1646e+002 + -analytic 3.5097e+2 1.1714e-1 -7.4569e+3 -1.3714e+2 -1.1646e+2 # -Range: 0-300 -4.0000 F- + 1.0000 U++++ = UF4 - -llnl_gamma 3.0 - log_k +25.4408 - -delta_H -4.2146 kJ/mol # Calculated enthalpy of reaction UF4 +4 F- + U+4 = UF4 + -llnl_gamma 3 + log_k 25.4408 + -delta_H -4.2146 kJ/mol # Calculated enthalpy of reaction UF4 # Enthalpy of formation: -1936.81 kJ/mol - -analytic 7.8549e+002 2.7922e-001 -1.6213e+004 -3.1881e+002 -2.7559e+002 -# -Range: 0-200 - -5.0000 F- + 1.0000 U++++ = UF5- - -llnl_gamma 4.0 - log_k +26.8110 - -delta_H 0 # Not possible to calculate enthalpy of reaction UF5- -# Enthalpy of formation: -0 kcal/mol - -6.0000 F- + 1.0000 U++++ = UF6-- - -llnl_gamma 4.0 - log_k +28.8412 - -delta_H 0 # Not possible to calculate enthalpy of reaction UF6-2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 U++++ + 1.0000 I- = UI+++ - -llnl_gamma 5.0 - log_k +1.2151 - -delta_H 0 # Not possible to calculate enthalpy of reaction UI+3 -# Enthalpy of formation: -0 kcal/mol - -1.0000 U++++ + 1.0000 NO3- = UNO3+++ - -llnl_gamma 5.0 - log_k +1.4506 - -delta_H 0 # Not possible to calculate enthalpy of reaction UNO3+3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 HCO3- + 1.0000 UO2++ = UO2(CO3)2-- +2.0000 H+ - -llnl_gamma 4.0 - log_k -3.7467 - -delta_H 47.9065 kJ/mol # Calculated enthalpy of reaction UO2(CO3)2-2 + -analytic 7.8549e+2 2.7922e-1 -1.6213e+4 -3.1881e+2 -2.7559e+2 +# -Range: 0-200 + +5 F- + U+4 = UF5- + -llnl_gamma 4 + log_k 26.811 + -delta_H 0 # Not possible to calculate enthalpy of reaction UF5- +# Enthalpy of formation: -0 kcal/mol + +6 F- + U+4 = UF6-2 + -llnl_gamma 4 + log_k 28.8412 + -delta_H 0 # Not possible to calculate enthalpy of reaction UF6-2 +# Enthalpy of formation: -0 kcal/mol + +U+4 + I- = UI+3 + -llnl_gamma 5 + log_k 1.2151 + -delta_H 0 # Not possible to calculate enthalpy of reaction UI+3 +# Enthalpy of formation: -0 kcal/mol + +U+4 + NO3- = UNO3+3 + -llnl_gamma 5 + log_k 1.4506 + -delta_H 0 # Not possible to calculate enthalpy of reaction UNO3+3 +# Enthalpy of formation: -0 kcal/mol + +2 HCO3- + UO2+2 = UO2(CO3)2-2 + 2 H+ + -llnl_gamma 4 + log_k -3.7467 + -delta_H 47.9065 kJ/mol # Calculated enthalpy of reaction UO2(CO3)2-2 # Enthalpy of formation: -2350.96 kJ/mol - -analytic 2.6569e+002 8.1552e-002 -9.0918e+003 -1.0638e+002 -1.4195e+002 + -analytic 2.6569e+2 8.1552e-2 -9.0918e+3 -1.0638e+2 -1.4195e+2 # -Range: 0-300 -3.0000 HCO3- + 1.0000 UO2+ = UO2(CO3)3-5 +3.0000 H+ - -llnl_gamma 4.0 - log_k -23.6241 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(CO3)3-5 +3 HCO3- + UO2+ = UO2(CO3)3-5 + 3 H+ + -llnl_gamma 4 + log_k -23.6241 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(CO3)3-5 # Enthalpy of formation: -0 kcal/mol - -3.0000 HCO3- + 1.0000 UO2++ = UO2(CO3)3---- +3.0000 H+ - -llnl_gamma 4.0 - log_k -9.4302 - -delta_H 4.9107 kJ/mol # Calculated enthalpy of reaction UO2(CO3)3-4 + +3 HCO3- + UO2+2 = UO2(CO3)3-4 + 3 H+ + -llnl_gamma 4 + log_k -9.4302 + -delta_H 4.9107 kJ/mol # Calculated enthalpy of reaction UO2(CO3)3-4 # Enthalpy of formation: -3083.89 kJ/mol - -analytic 3.7918e+002 1.1789e-001 -1.0233e+004 -1.5738e+002 -1.5978e+002 -# -Range: 0-300 - -3.0000 H+ + 2.0000 HPO4-- + 1.0000 UO2++ = UO2(H2PO4)(H3PO4)+ - -llnl_gamma 4.0 - log_k +22.7537 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(H2PO4)(H3PO4)+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 2.0000 H+ + 1.0000 UO2++ = UO2(H2PO4)2 - -llnl_gamma 3.0 - log_k +21.7437 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(H2PO4)2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 IO3- + 1.0000 UO2++ = UO2(IO3)2 - -llnl_gamma 3.0 - log_k +2.9969 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(IO3)2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 N3- + 1.0000 UO2++ = UO2(N3)2 - -llnl_gamma 3.0 - log_k +4.3301 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(N3)2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 N3- + 1.0000 UO2++ = UO2(N3)3- - -llnl_gamma 4.0 - log_k +5.7401 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(N3)3- -# Enthalpy of formation: -0 kcal/mol - -4.0000 N3- + 1.0000 UO2++ = UO2(N3)4-- - -llnl_gamma 4.0 - log_k +4.9200 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(N3)4-2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 UO2++ = UO2(OH)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -10.3146 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(OH)2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 H2O + 1.0000 UO2++ = UO2(OH)3- +3.0000 H+ - -llnl_gamma 4.0 - log_k -19.2218 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(OH)3- -# Enthalpy of formation: -0 kcal/mol - -4.0000 H2O + 1.0000 UO2++ = UO2(OH)4-- +4.0000 H+ - -llnl_gamma 4.0 - log_k -33.0291 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(OH)4-2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 Thiocyanate- + 1.0000 UO2++ = UO2(Thiocyanate)2 - -llnl_gamma 3.0 - log_k +1.2401 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(Thiocyanate)2 + -analytic 3.7918e+2 1.1789e-1 -1.0233e+4 -1.5738e+2 -1.5978e+2 +# -Range: 0-300 + +3 H+ + 2 HPO4-2 + UO2+2 = UO2(H2PO4)(H3PO4)+ + -llnl_gamma 4 + log_k 22.7537 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(H2PO4)(H3PO4)+ +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + 2 H+ + UO2+2 = UO2(H2PO4)2 + -llnl_gamma 3 + log_k 21.7437 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(H2PO4)2 +# Enthalpy of formation: -0 kcal/mol + +2 IO3- + UO2+2 = UO2(IO3)2 + -llnl_gamma 3 + log_k 2.9969 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(IO3)2 +# Enthalpy of formation: -0 kcal/mol + +2 N3- + UO2+2 = UO2(N3)2 + -llnl_gamma 3 + log_k 4.3301 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(N3)2 +# Enthalpy of formation: -0 kcal/mol + +3 N3- + UO2+2 = UO2(N3)3- + -llnl_gamma 4 + log_k 5.7401 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(N3)3- +# Enthalpy of formation: -0 kcal/mol + +4 N3- + UO2+2 = UO2(N3)4-2 + -llnl_gamma 4 + log_k 4.92 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(N3)4-2 +# Enthalpy of formation: -0 kcal/mol + +2 H2O + UO2+2 = UO2(OH)2 + 2 H+ + -llnl_gamma 3 + log_k -10.3146 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(OH)2 +# Enthalpy of formation: -0 kcal/mol + +3 H2O + UO2+2 = UO2(OH)3- + 3 H+ + -llnl_gamma 4 + log_k -19.2218 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(OH)3- +# Enthalpy of formation: -0 kcal/mol + +4 H2O + UO2+2 = UO2(OH)4-2 + 4 H+ + -llnl_gamma 4 + log_k -33.0291 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(OH)4-2 +# Enthalpy of formation: -0 kcal/mol + +2 Thiocyanate- + UO2+2 = UO2(Thiocyanate)2 + -llnl_gamma 3 + log_k 1.2401 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(Thiocyanate)2 # Enthalpy of formation: -857.3 kJ/mol - -analytic 9.4216e+001 3.2840e-002 -2.4849e+003 -3.8162e+001 -4.2231e+001 + -analytic 9.4216e+1 3.284e-2 -2.4849e+3 -3.8162e+1 -4.2231e+1 # -Range: 0-200 -3.0000 Thiocyanate- + 1.0000 UO2++ = UO2(Thiocyanate)3- - -llnl_gamma 4.0 - log_k +2.1001 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(Thiocyanate)3- +3 Thiocyanate- + UO2+2 = UO2(Thiocyanate)3- + -llnl_gamma 4 + log_k 2.1001 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(Thiocyanate)3- # Enthalpy of formation: -783.8 kJ/mol - -analytic 1.6622e+001 2.2714e-002 4.9707e+002 -9.2785e+000 7.7512e+000 + -analytic 1.6622e+1 2.2714e-2 4.9707e+2 -9.2785e+0 7.7512e+0 # -Range: 0-300 -2.0000 SO3-- + 1.0000 UO2++ = UO2(SO3)2-- - -llnl_gamma 4.0 - log_k +7.9101 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(SO3)2-2 +2 SO3-2 + UO2+2 = UO2(SO3)2-2 + -llnl_gamma 4 + log_k 7.9101 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(SO3)2-2 # Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 UO2++ = UO2(SO4)2-- - -llnl_gamma 4.0 - log_k +3.9806 - -delta_H 35.6242 kJ/mol # Calculated enthalpy of reaction UO2(SO4)2-2 + +2 SO4-2 + UO2+2 = UO2(SO4)2-2 + -llnl_gamma 4 + log_k 3.9806 + -delta_H 35.6242 kJ/mol # Calculated enthalpy of reaction UO2(SO4)2-2 # Enthalpy of formation: -2802.58 kJ/mol - -analytic 3.9907e+002 1.3536e-001 -1.0813e+004 -1.6130e+002 -1.6884e+002 + -analytic 3.9907e+2 1.3536e-1 -1.0813e+4 -1.613e+2 -1.6884e+2 # -Range: 0-300 -1.0000 UO2++ + 1.0000 Br- = UO2Br+ - -llnl_gamma 4.0 - log_k +0.1840 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2Br+ +UO2+2 + Br- = UO2Br+ + -llnl_gamma 4 + log_k 0.184 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2Br+ # Enthalpy of formation: -0 kcal/mol - -1.0000 UO2++ + 1.0000 BrO3- = UO2BrO3+ - -llnl_gamma 4.0 - log_k +0.5510 - -delta_H 0.46952 kJ/mol # Calculated enthalpy of reaction UO2BrO3+ + +UO2+2 + BrO3- = UO2BrO3+ + -llnl_gamma 4 + log_k 0.551 + -delta_H 0.46952 kJ/mol # Calculated enthalpy of reaction UO2BrO3+ # Enthalpy of formation: -1085.6 kJ/mol - -analytic 8.2618e+001 2.6921e-002 -2.0144e+003 -3.3673e+001 -3.1457e+001 + -analytic 8.2618e+1 2.6921e-2 -2.0144e+3 -3.3673e+1 -3.1457e+1 # -Range: 0-300 -1.0000 UO2++ + 1.0000 HCO3- = UO2CO3 +1.0000 H+ - -llnl_gamma 3.0 - log_k -0.6634 - -delta_H 19.7032 kJ/mol # Calculated enthalpy of reaction UO2CO3 +UO2+2 + HCO3- = UO2CO3 + H+ + -llnl_gamma 3 + log_k -0.6634 + -delta_H 19.7032 kJ/mol # Calculated enthalpy of reaction UO2CO3 # Enthalpy of formation: -1689.23 kJ/mol - -analytic 7.3898e+001 2.8127e-002 -2.4347e+003 -3.0217e+001 -4.1371e+001 + -analytic 7.3898e+1 2.8127e-2 -2.4347e+3 -3.0217e+1 -4.1371e+1 # -Range: 0-200 -1.0000 UO2++ + 1.0000 Cl- = UO2Cl+ - -llnl_gamma 4.0 - log_k +0.1572 - -delta_H 8.00167 kJ/mol # Calculated enthalpy of reaction UO2Cl+ +UO2+2 + Cl- = UO2Cl+ + -llnl_gamma 4 + log_k 0.1572 + -delta_H 8.00167 kJ/mol # Calculated enthalpy of reaction UO2Cl+ # Enthalpy of formation: -1178.08 kJ/mol - -analytic 9.8139e+001 3.8869e-002 -2.3178e+003 -4.1133e+001 -3.6196e+001 + -analytic 9.8139e+1 3.8869e-2 -2.3178e+3 -4.1133e+1 -3.6196e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 UO2++ = UO2Cl2 - -llnl_gamma 3.0 - log_k -1.1253 - -delta_H 15.0013 kJ/mol # Calculated enthalpy of reaction UO2Cl2 +2 Cl- + UO2+2 = UO2Cl2 + -llnl_gamma 3 + log_k -1.1253 + -delta_H 15.0013 kJ/mol # Calculated enthalpy of reaction UO2Cl2 # Enthalpy of formation: -1338.16 kJ/mol - -analytic 3.4087e+001 1.3840e-002 -1.3664e+003 -1.4043e+001 -2.3216e+001 + -analytic 3.4087e+1 1.384e-2 -1.3664e+3 -1.4043e+1 -2.3216e+1 # -Range: 0-200 -1.0000 UO2++ + 1.0000 ClO3- = UO2ClO3+ - -llnl_gamma 4.0 - log_k +0.4919 - -delta_H -3.9266 kJ/mol # Calculated enthalpy of reaction UO2ClO3+ +UO2+2 + ClO3- = UO2ClO3+ + -llnl_gamma 4 + log_k 0.4919 + -delta_H -3.9266 kJ/mol # Calculated enthalpy of reaction UO2ClO3+ # Enthalpy of formation: -1126.9 kJ/mol - -analytic 9.6263e+001 2.8926e-002 -2.3068e+003 -3.9057e+001 -3.6025e+001 + -analytic 9.6263e+1 2.8926e-2 -2.3068e+3 -3.9057e+1 -3.6025e+1 # -Range: 0-300 -1.0000 UO2++ + 1.0000 F- = UO2F+ - -llnl_gamma 4.0 - log_k +5.0502 - -delta_H 1.6976 kJ/mol # Calculated enthalpy of reaction UO2F+ +UO2+2 + F- = UO2F+ + -llnl_gamma 4 + log_k 5.0502 + -delta_H 1.6976 kJ/mol # Calculated enthalpy of reaction UO2F+ # Enthalpy of formation: -1352.65 kJ/mol - -analytic 1.1476e+002 4.0682e-002 -2.4467e+003 -4.5914e+001 -3.8212e+001 + -analytic 1.1476e+2 4.0682e-2 -2.4467e+3 -4.5914e+1 -3.8212e+1 # -Range: 0-300 -2.0000 F- + 1.0000 UO2++ = UO2F2 - -llnl_gamma 3.0 - log_k +8.5403 - -delta_H 2.0962 kJ/mol # Calculated enthalpy of reaction UO2F2 +2 F- + UO2+2 = UO2F2 + -llnl_gamma 3 + log_k 8.5403 + -delta_H 2.0962 kJ/mol # Calculated enthalpy of reaction UO2F2 # Enthalpy of formation: -1687.6 kJ/mol - -analytic 2.7673e+002 9.9190e-002 -5.8371e+003 -1.1242e+002 -9.9219e+001 + -analytic 2.7673e+2 9.919e-2 -5.8371e+3 -1.1242e+2 -9.9219e+1 # -Range: 0-200 -3.0000 F- + 1.0000 UO2++ = UO2F3- - -llnl_gamma 4.0 - log_k +10.7806 - -delta_H 2.3428 kJ/mol # Calculated enthalpy of reaction UO2F3- +3 F- + UO2+2 = UO2F3- + -llnl_gamma 4 + log_k 10.7806 + -delta_H 2.3428 kJ/mol # Calculated enthalpy of reaction UO2F3- # Enthalpy of formation: -2022.7 kJ/mol - -analytic 3.3383e+002 9.2160e-002 -8.7975e+003 -1.2972e+002 -1.3738e+002 + -analytic 3.3383e+2 9.216e-2 -8.7975e+3 -1.2972e+2 -1.3738e+2 # -Range: 0-300 -4.0000 F- + 1.0000 UO2++ = UO2F4-- - -llnl_gamma 4.0 - log_k +11.5407 - -delta_H 0.2814 kJ/mol # Calculated enthalpy of reaction UO2F4-2 +4 F- + UO2+2 = UO2F4-2 + -llnl_gamma 4 + log_k 11.5407 + -delta_H 0.2814 kJ/mol # Calculated enthalpy of reaction UO2F4-2 # Enthalpy of formation: -2360.11 kJ/mol - -analytic 4.4324e+002 1.3808e-001 -1.0705e+004 -1.7657e+002 -1.6718e+002 -# -Range: 0-300 - -1.0000 UO2++ + 1.0000 HPO4-- + 1.0000 H+ = UO2H2PO4+ - -llnl_gamma 4.0 - log_k +11.6719 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2H2PO4+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 H+ + 1.0000 UO2++ + 1.0000 HPO4-- = UO2H3PO4++ - -llnl_gamma 4.5 - log_k +11.3119 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2H3PO4+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 UO2++ + 1.0000 HPO4-- = UO2HPO4 - -llnl_gamma 3.0 - log_k +8.4398 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2HPO4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 UO2++ + 1.0000 IO3- = UO2IO3+ - -llnl_gamma 4.0 - log_k +1.7036 - -delta_H 11.4336 kJ/mol # Calculated enthalpy of reaction UO2IO3+ + -analytic 4.4324e+2 1.3808e-1 -1.0705e+4 -1.7657e+2 -1.6718e+2 +# -Range: 0-300 + +UO2+2 + HPO4-2 + H+ = UO2H2PO4+ + -llnl_gamma 4 + log_k 11.6719 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2H2PO4+ +# Enthalpy of formation: -0 kcal/mol + +2 H+ + UO2+2 + HPO4-2 = UO2H3PO4+2 + -llnl_gamma 4.5 + log_k 11.3119 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2H3PO4+2 +# Enthalpy of formation: -0 kcal/mol + +UO2+2 + HPO4-2 = UO2HPO4 + -llnl_gamma 3 + log_k 8.4398 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2HPO4 +# Enthalpy of formation: -0 kcal/mol + +UO2+2 + IO3- = UO2IO3+ + -llnl_gamma 4 + log_k 1.7036 + -delta_H 11.4336 kJ/mol # Calculated enthalpy of reaction UO2IO3+ # Enthalpy of formation: -1228.9 kJ/mol - -analytic 1.0428e+002 2.9620e-002 -3.2441e+003 -4.0618e+001 -5.0651e+001 + -analytic 1.0428e+2 2.962e-2 -3.2441e+3 -4.0618e+1 -5.0651e+1 # -Range: 0-300 -1.0000 UO2++ + 1.0000 N3- = UO2N3+ - -llnl_gamma 4.0 - log_k +2.5799 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2N3+ +UO2+2 + N3- = UO2N3+ + -llnl_gamma 4 + log_k 2.5799 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2N3+ # Enthalpy of formation: -0 kcal/mol - -1.0000 UO2++ + 1.0000 NO3- = UO2NO3+ - -llnl_gamma 4.0 - log_k +0.2805 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2NO3+ + +UO2+2 + NO3- = UO2NO3+ + -llnl_gamma 4 + log_k 0.2805 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2NO3+ # Enthalpy of formation: -0 kcal/mol - -1.0000 UO2++ + 1.0000 H2O = UO2OH+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -5.2073 - -delta_H 43.1813 kJ/mol # Calculated enthalpy of reaction UO2OH+ + +UO2+2 + H2O = UO2OH+ + H+ + -llnl_gamma 4 + log_k -5.2073 + -delta_H 43.1813 kJ/mol # Calculated enthalpy of reaction UO2OH+ # Enthalpy of formation: -1261.66 kJ/mol - -analytic 3.4387e+001 6.0811e-003 -3.3068e+003 -1.2252e+001 -5.1609e+001 + -analytic 3.4387e+1 6.0811e-3 -3.3068e+3 -1.2252e+1 -5.1609e+1 # -Range: 0-300 -1.0000 UO2++ + 1.0000 HPO4-- = UO2PO4- +1.0000 H+ - -llnl_gamma 4.0 - log_k +2.0798 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2PO4- +UO2+2 + HPO4-2 = UO2PO4- + H+ + -llnl_gamma 4 + log_k 2.0798 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2PO4- # Enthalpy of formation: -0 kcal/mol - + #2.0000 SO3-- + 2.0000 H+ + 1.0000 UO2++ = UO2S2O3 +1.0000 H2O +1.0000 O2 #S2O3-- + O2 + H2O = 2.0000 H+ + 2.0000 SO3-- log_k 40.2906 -S2O3-- + UO2++ = UO2S2O3 - -llnl_gamma 3.0 +S2O3-2 + UO2+2 = UO2S2O3 + -llnl_gamma 3 # log_k -38.0666 log_k 2.224 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2S2O3 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2S2O3 # Enthalpy of formation: -0 kcal/mol - -1.0000 UO2++ + 1.0000 Thiocyanate- = UO2Thiocyanate+ - -llnl_gamma 4.0 - log_k +1.4000 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2Thiocyanate+ + +UO2+2 + Thiocyanate- = UO2Thiocyanate+ + -llnl_gamma 4 + log_k 1.4 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2Thiocyanate+ # Enthalpy of formation: -939.38 kJ/mol - -analytic 4.7033e+000 1.2562e-002 4.9095e+002 -3.5097e+000 7.6593e+000 + -analytic 4.7033e+0 1.2562e-2 4.9095e+2 -3.5097e+0 7.6593e+0 # -Range: 0-300 -1.0000 UO2++ + 1.0000 SO3-- = UO2SO3 - -llnl_gamma 3.0 - log_k +6.7532 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2SO3 +UO2+2 + SO3-2 = UO2SO3 + -llnl_gamma 3 + log_k 6.7532 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2SO3 # Enthalpy of formation: -0 kcal/mol - -1.0000 UO2++ + 1.0000 SO4-- = UO2SO4 - -llnl_gamma 3.0 - log_k +3.0703 - -delta_H 19.7626 kJ/mol # Calculated enthalpy of reaction UO2SO4 + +UO2+2 + SO4-2 = UO2SO4 + -llnl_gamma 3 + log_k 3.0703 + -delta_H 19.7626 kJ/mol # Calculated enthalpy of reaction UO2SO4 # Enthalpy of formation: -1908.84 kJ/mol - -analytic 1.9514e+002 7.0951e-002 -4.9949e+003 -7.9394e+001 -8.4888e+001 + -analytic 1.9514e+2 7.0951e-2 -4.9949e+3 -7.9394e+1 -8.4888e+1 # -Range: 0-200 -1.0000 U++++ + 1.0000 H2O = UOH+++ +1.0000 H+ - -llnl_gamma 5.0 - log_k -0.5472 - -delta_H 46.9183 kJ/mol # Calculated enthalpy of reaction UOH+3 +U+4 + H2O = UOH+3 + H+ + -llnl_gamma 5 + log_k -0.5472 + -delta_H 46.9183 kJ/mol # Calculated enthalpy of reaction UOH+3 # Enthalpy of formation: -830.12 kJ/mol - -analytic 4.0793e+001 1.3563e-003 -3.8441e+003 -1.1659e+001 -5.9996e+001 + -analytic 4.0793e+1 1.3563e-3 -3.8441e+3 -1.1659e+1 -5.9996e+1 # -Range: 0-300 -1.0000 U++++ + 1.0000 Thiocyanate- = UThiocyanate+++ - -llnl_gamma 5.0 - log_k +2.9700 - -delta_H 0 # Not possible to calculate enthalpy of reaction UThiocyanate+3 +U+4 + Thiocyanate- = UThiocyanate+3 + -llnl_gamma 5 + log_k 2.97 + -delta_H 0 # Not possible to calculate enthalpy of reaction UThiocyanate+3 # Enthalpy of formation: -541.8 kJ/mol - -analytic 4.0286e-001 1.5909e-002 2.3026e+003 -3.9973e+000 3.5929e+001 + -analytic 4.0286e-1 1.5909e-2 2.3026e+3 -3.9973e+0 3.5929e+1 # -Range: 0-300 -1.0000 U++++ + 1.0000 SO4-- = USO4++ - -llnl_gamma 4.5 - log_k +6.5003 - -delta_H 8.2616 kJ/mol # Calculated enthalpy of reaction USO4+2 +U+4 + SO4-2 = USO4+2 + -llnl_gamma 4.5 + log_k 6.5003 + -delta_H 8.2616 kJ/mol # Calculated enthalpy of reaction USO4+2 # Enthalpy of formation: -1492.54 kJ/mol - -analytic 1.9418e+002 7.5458e-002 -4.0646e+003 -7.9416e+001 -6.3482e+001 -# -Range: 0-300 - -2.0000 H2O + 1.0000 V+++ = V(OH)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -5.9193 - -delta_H 0 # Not possible to calculate enthalpy of reaction V(OH)2+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 V+++ + 2.0000 H2O = V2(OH)2++++ +2.0000 H+ - -llnl_gamma 5.5 - log_k -3.8 - -delta_H 0 # Not possible to calculate enthalpy of reaction V2(OH)2+4 -# Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 VO2+ = VO(OH)3 +1.0000 H+ - -llnl_gamma 3.0 - log_k -3.3 - -delta_H 0 # Not possible to calculate enthalpy of reaction VO(OH)3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 VO2+ = VO2(HPO4)2--- - -llnl_gamma 4.0 - log_k +8.6000 - -delta_H 0 # Not possible to calculate enthalpy of reaction VO2(HPO4)2-3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 VO2+ = VO2(OH)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -7.3 - -delta_H 0 # Not possible to calculate enthalpy of reaction VO2(OH)2- -# Enthalpy of formation: -0 kcal/mol - -1.0000 VO2+ + 1.0000 F- = VO2F - -llnl_gamma 3.0 - log_k +3.3500 - -delta_H 0 # Not possible to calculate enthalpy of reaction VO2F -# Enthalpy of formation: -0 kcal/mol - -2.0000 F- + 1.0000 VO2+ = VO2F2- - -llnl_gamma 4.0 - log_k +5.8100 - -delta_H 0 # Not possible to calculate enthalpy of reaction VO2F2- -# Enthalpy of formation: -0 kcal/mol - -1.0000 VO2+ + 1.0000 HPO4-- + 1.0000 H+ = VO2H2PO4 - -llnl_gamma 3.0 - log_k +1.6800 - -delta_H 0 # Not possible to calculate enthalpy of reaction VO2H2PO4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 VO2+ + 1.0000 HPO4-- = VO2HPO4- - -llnl_gamma 4.0 - log_k +5.8300 - -delta_H 0 # Not possible to calculate enthalpy of reaction VO2HPO4- -# Enthalpy of formation: -0 kcal/mol - -1.0000 VO2+ + 1.0000 SO4-- = VO2SO4- - -llnl_gamma 4.0 - log_k +1.5800 - -delta_H 0 # Not possible to calculate enthalpy of reaction VO2SO4- -# Enthalpy of formation: -0 kcal/mol - -1.0000 VO4--- + 1.0000 H+ = VO3OH-- - -llnl_gamma 4.0 - log_k +14.2600 - -delta_H 0 # Not possible to calculate enthalpy of reaction VO3OH-2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 VO++ + 1.0000 F- = VOF+ - -llnl_gamma 4.0 - log_k +4.0000 - -delta_H 0 # Not possible to calculate enthalpy of reaction VOF+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 F- + 1.0000 VO++ = VOF2 - -llnl_gamma 3.0 - log_k +6.7800 - -delta_H 0 # Not possible to calculate enthalpy of reaction VOF2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 V+++ + 1.0000 H2O = VOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -2.26 - -delta_H 0 # Not possible to calculate enthalpy of reaction VOH+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 VO++ + 1.0000 H2O = VOOH+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -5.67 - -delta_H 0 # Not possible to calculate enthalpy of reaction VOOH+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 VO++ + 1.0000 SO4-- = VOSO4 - -llnl_gamma 3.0 - log_k +2.4800 - -delta_H 0 # Not possible to calculate enthalpy of reaction VOSO4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 V+++ + 1.0000 SO4-- = VSO4+ - -llnl_gamma 4.0 - log_k +3.3300 - -delta_H 0 # Not possible to calculate enthalpy of reaction VSO4+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 HAcetate + 1.0000 Y+++ = Y(Acetate)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -4.9844 - -delta_H -34.8109 kJ/mol # Calculated enthalpy of reaction Y(Acetate)2+ + -analytic 1.9418e+2 7.5458e-2 -4.0646e+3 -7.9416e+1 -6.3482e+1 +# -Range: 0-300 + +2 H2O + V+3 = V(OH)2+ + 2 H+ + -llnl_gamma 4 + log_k -5.9193 + -delta_H 0 # Not possible to calculate enthalpy of reaction V(OH)2+ +# Enthalpy of formation: -0 kcal/mol + +2 V+3 + 2 H2O = V2(OH)2+4 + 2 H+ + -llnl_gamma 5.5 + log_k -3.8 + -delta_H 0 # Not possible to calculate enthalpy of reaction V2(OH)2+4 +# Enthalpy of formation: -0 kcal/mol + +2 H2O + VO2+ = VO(OH)3 + H+ + -llnl_gamma 3 + log_k -3.3 + -delta_H 0 # Not possible to calculate enthalpy of reaction VO(OH)3 +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + VO2+ = VO2(HPO4)2-3 + -llnl_gamma 4 + log_k 8.6 + -delta_H 0 # Not possible to calculate enthalpy of reaction VO2(HPO4)2-3 +# Enthalpy of formation: -0 kcal/mol + +2 H2O + VO2+ = VO2(OH)2- + 2 H+ + -llnl_gamma 4 + log_k -7.3 + -delta_H 0 # Not possible to calculate enthalpy of reaction VO2(OH)2- +# Enthalpy of formation: -0 kcal/mol + +VO2+ + F- = VO2F + -llnl_gamma 3 + log_k 3.35 + -delta_H 0 # Not possible to calculate enthalpy of reaction VO2F +# Enthalpy of formation: -0 kcal/mol + +2 F- + VO2+ = VO2F2- + -llnl_gamma 4 + log_k 5.81 + -delta_H 0 # Not possible to calculate enthalpy of reaction VO2F2- +# Enthalpy of formation: -0 kcal/mol + +VO2+ + HPO4-2 + H+ = VO2H2PO4 + -llnl_gamma 3 + log_k 1.68 + -delta_H 0 # Not possible to calculate enthalpy of reaction VO2H2PO4 +# Enthalpy of formation: -0 kcal/mol + +VO2+ + HPO4-2 = VO2HPO4- + -llnl_gamma 4 + log_k 5.83 + -delta_H 0 # Not possible to calculate enthalpy of reaction VO2HPO4- +# Enthalpy of formation: -0 kcal/mol + +VO2+ + SO4-2 = VO2SO4- + -llnl_gamma 4 + log_k 1.58 + -delta_H 0 # Not possible to calculate enthalpy of reaction VO2SO4- +# Enthalpy of formation: -0 kcal/mol + +VO4-3 + H+ = VO3OH-2 + -llnl_gamma 4 + log_k 14.26 + -delta_H 0 # Not possible to calculate enthalpy of reaction VO3OH-2 +# Enthalpy of formation: -0 kcal/mol + +VO+2 + F- = VOF+ + -llnl_gamma 4 + log_k 4 + -delta_H 0 # Not possible to calculate enthalpy of reaction VOF+ +# Enthalpy of formation: -0 kcal/mol + +2 F- + VO+2 = VOF2 + -llnl_gamma 3 + log_k 6.78 + -delta_H 0 # Not possible to calculate enthalpy of reaction VOF2 +# Enthalpy of formation: -0 kcal/mol + +V+3 + H2O = VOH+2 + H+ + -llnl_gamma 4.5 + log_k -2.26 + -delta_H 0 # Not possible to calculate enthalpy of reaction VOH+2 +# Enthalpy of formation: -0 kcal/mol + +VO+2 + H2O = VOOH+ + H+ + -llnl_gamma 4 + log_k -5.67 + -delta_H 0 # Not possible to calculate enthalpy of reaction VOOH+ +# Enthalpy of formation: -0 kcal/mol + +VO+2 + SO4-2 = VOSO4 + -llnl_gamma 3 + log_k 2.48 + -delta_H 0 # Not possible to calculate enthalpy of reaction VOSO4 +# Enthalpy of formation: -0 kcal/mol + +V+3 + SO4-2 = VSO4+ + -llnl_gamma 4 + log_k 3.33 + -delta_H 0 # Not possible to calculate enthalpy of reaction VSO4+ +# Enthalpy of formation: -0 kcal/mol + +2 HAcetate + Y+3 = Y(Acetate)2+ + 2 H+ + -llnl_gamma 4 + log_k -4.9844 + -delta_H -34.8109 kJ/mol # Calculated enthalpy of reaction Y(Acetate)2+ # Enthalpy of formation: -411.42 kcal/mol - -analytic -3.3011e+001 6.1979e-004 -7.7468e+002 9.6380e+000 5.8814e+005 + -analytic -3.3011e+1 6.1979e-4 -7.7468e+2 9.638e+0 5.8814e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Y+++ = Y(Acetate)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -8.3783 - -delta_H -58.4505 kJ/mol # Calculated enthalpy of reaction Y(Acetate)3 +3 HAcetate + Y+3 = Y(Acetate)3 + 3 H+ + -llnl_gamma 3 + log_k -8.3783 + -delta_H -58.4505 kJ/mol # Calculated enthalpy of reaction Y(Acetate)3 # Enthalpy of formation: -533.17 kcal/mol - -analytic -3.0086e+001 4.0213e-003 -1.1444e+003 6.1794e+000 8.0827e+005 -# -Range: 0-300 - -2.0000 HCO3- + 1.0000 Y+++ = Y(CO3)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -7.3576 - -delta_H 0 # Not possible to calculate enthalpy of reaction Y(CO3)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Y+++ = Y(HPO4)2- - -llnl_gamma 4.0 - log_k +9.9000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Y(HPO4)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 Y+++ = Y(OH)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -16.3902 - -delta_H 0 # Not possible to calculate enthalpy of reaction Y(OH)2+ -# Enthalpy of formation: -0 kcal/mol - -3.0000 H2O + 1.0000 Y+++ = Y(OH)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -25.9852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Y(OH)3 -# Enthalpy of formation: -0 kcal/mol - -4.0000 H2O + 1.0000 Y+++ = Y(OH)4- +4.0000 H+ - -llnl_gamma 4.0 - log_k -36.4803 - -delta_H 0 # Not possible to calculate enthalpy of reaction Y(OH)4- -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Y+++ = Y(PO4)2--- +2.0000 H+ - -llnl_gamma 4.0 - log_k -3.2437 - -delta_H 0 # Not possible to calculate enthalpy of reaction Y(PO4)2-3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 Y+++ = Y(SO4)2- - -llnl_gamma 4.0 - log_k +4.9000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Y(SO4)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 Y+++ + 2.0000 H2O = Y2(OH)2++++ +2.0000 H+ - -llnl_gamma 5.5 - log_k -14.1902 - -delta_H 0 # Not possible to calculate enthalpy of reaction Y2(OH)2+4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Y+++ + 1.0000 HAcetate = YAcetate++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -2.1184 - -delta_H -17.2799 kJ/mol # Calculated enthalpy of reaction YAcetate+2 + -analytic -3.0086e+1 4.0213e-3 -1.1444e+3 6.1794e+0 8.0827e+5 +# -Range: 0-300 + +2 HCO3- + Y+3 = Y(CO3)2- + 2 H+ + -llnl_gamma 4 + log_k -7.3576 + -delta_H 0 # Not possible to calculate enthalpy of reaction Y(CO3)2- +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Y+3 = Y(HPO4)2- + -llnl_gamma 4 + log_k 9.9 + -delta_H 0 # Not possible to calculate enthalpy of reaction Y(HPO4)2- +# Enthalpy of formation: -0 kcal/mol + +2 H2O + Y+3 = Y(OH)2+ + 2 H+ + -llnl_gamma 4 + log_k -16.3902 + -delta_H 0 # Not possible to calculate enthalpy of reaction Y(OH)2+ +# Enthalpy of formation: -0 kcal/mol + +3 H2O + Y+3 = Y(OH)3 + 3 H+ + -llnl_gamma 3 + log_k -25.9852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Y(OH)3 +# Enthalpy of formation: -0 kcal/mol + +4 H2O + Y+3 = Y(OH)4- + 4 H+ + -llnl_gamma 4 + log_k -36.4803 + -delta_H 0 # Not possible to calculate enthalpy of reaction Y(OH)4- +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Y+3 = Y(PO4)2-3 + 2 H+ + -llnl_gamma 4 + log_k -3.2437 + -delta_H 0 # Not possible to calculate enthalpy of reaction Y(PO4)2-3 +# Enthalpy of formation: -0 kcal/mol + +2 SO4-2 + Y+3 = Y(SO4)2- + -llnl_gamma 4 + log_k 4.9 + -delta_H 0 # Not possible to calculate enthalpy of reaction Y(SO4)2- +# Enthalpy of formation: -0 kcal/mol + +2 Y+3 + 2 H2O = Y2(OH)2+4 + 2 H+ + -llnl_gamma 5.5 + log_k -14.1902 + -delta_H 0 # Not possible to calculate enthalpy of reaction Y2(OH)2+4 +# Enthalpy of formation: -0 kcal/mol + +Y+3 + HAcetate = YAcetate+2 + H+ + -llnl_gamma 4.5 + log_k -2.1184 + -delta_H -17.2799 kJ/mol # Calculated enthalpy of reaction YAcetate+2 # Enthalpy of formation: -291.13 kcal/mol - -analytic -1.2080e+001 1.2015e-003 -8.4186e+002 3.4522e+000 3.4647e+005 -# -Range: 0-300 - -1.0000 Y+++ + 1.0000 HCO3- = YCO3+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.2788 - -delta_H 0 # Not possible to calculate enthalpy of reaction YCO3+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Y+++ + 1.0000 Cl- = YCl++ - -llnl_gamma 4.5 - log_k +0.3000 - -delta_H 0 # Not possible to calculate enthalpy of reaction YCl+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Y+++ + 1.0000 F- = YF++ - -llnl_gamma 4.5 - log_k +4.3000 - -delta_H 0 # Not possible to calculate enthalpy of reaction YF+2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 F- + 1.0000 Y+++ = YF2+ - -llnl_gamma 4.0 - log_k +7.8000 - -delta_H 0 # Not possible to calculate enthalpy of reaction YF2+ -# Enthalpy of formation: -0 kcal/mol - -3.0000 F- + 1.0000 Y+++ = YF3 - -llnl_gamma 3.0 - log_k +11.2000 - -delta_H 0 # Not possible to calculate enthalpy of reaction YF3 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Y+++ + 1.0000 HPO4-- + 1.0000 H+ = YH2PO4++ - -llnl_gamma 4.5 - log_k +9.6054 - -delta_H 0 # Not possible to calculate enthalpy of reaction YH2PO4+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Y+++ + 1.0000 HCO3- = YHCO3++ - -llnl_gamma 4.5 - log_k +2.3000 - -delta_H 0 # Not possible to calculate enthalpy of reaction YHCO3+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Y+++ + 1.0000 HPO4-- = YHPO4+ - -llnl_gamma 4.0 - log_k +5.9000 - -delta_H 0 # Not possible to calculate enthalpy of reaction YHPO4+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Y+++ + 1.0000 NO3- = YNO3++ - -llnl_gamma 4.5 - log_k +0.4000 - -delta_H 0 # Not possible to calculate enthalpy of reaction YNO3+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Y+++ + 1.0000 H2O = YOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -7.6951 - -delta_H 0 # Not possible to calculate enthalpy of reaction YOH+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Y+++ + 1.0000 HPO4-- = YPO4 +1.0000 H+ - -llnl_gamma 3.0 - log_k +0.2782 - -delta_H 0 # Not possible to calculate enthalpy of reaction YPO4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Y+++ + 1.0000 SO4-- = YSO4+ - -llnl_gamma 4.0 - log_k +3.4000 - -delta_H 0 # Not possible to calculate enthalpy of reaction YSO4+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 HAcetate + 1.0000 Yb+++ = Yb(Acetate)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -5.131 - -delta_H -30.334 kJ/mol # Calculated enthalpy of reaction Yb(Acetate)2+ + -analytic -1.208e+1 1.2015e-3 -8.4186e+2 3.4522e+0 3.4647e+5 +# -Range: 0-300 + +Y+3 + HCO3- = YCO3+ + H+ + -llnl_gamma 4 + log_k -2.2788 + -delta_H 0 # Not possible to calculate enthalpy of reaction YCO3+ +# Enthalpy of formation: -0 kcal/mol + +Y+3 + Cl- = YCl+2 + -llnl_gamma 4.5 + log_k 0.3 + -delta_H 0 # Not possible to calculate enthalpy of reaction YCl+2 +# Enthalpy of formation: -0 kcal/mol + +Y+3 + F- = YF+2 + -llnl_gamma 4.5 + log_k 4.3 + -delta_H 0 # Not possible to calculate enthalpy of reaction YF+2 +# Enthalpy of formation: -0 kcal/mol + +2 F- + Y+3 = YF2+ + -llnl_gamma 4 + log_k 7.8 + -delta_H 0 # Not possible to calculate enthalpy of reaction YF2+ +# Enthalpy of formation: -0 kcal/mol + +3 F- + Y+3 = YF3 + -llnl_gamma 3 + log_k 11.2 + -delta_H 0 # Not possible to calculate enthalpy of reaction YF3 +# Enthalpy of formation: -0 kcal/mol + +Y+3 + HPO4-2 + H+ = YH2PO4+2 + -llnl_gamma 4.5 + log_k 9.6054 + -delta_H 0 # Not possible to calculate enthalpy of reaction YH2PO4+2 +# Enthalpy of formation: -0 kcal/mol + +Y+3 + HCO3- = YHCO3+2 + -llnl_gamma 4.5 + log_k 2.3 + -delta_H 0 # Not possible to calculate enthalpy of reaction YHCO3+2 +# Enthalpy of formation: -0 kcal/mol + +Y+3 + HPO4-2 = YHPO4+ + -llnl_gamma 4 + log_k 5.9 + -delta_H 0 # Not possible to calculate enthalpy of reaction YHPO4+ +# Enthalpy of formation: -0 kcal/mol + +Y+3 + NO3- = YNO3+2 + -llnl_gamma 4.5 + log_k 0.4 + -delta_H 0 # Not possible to calculate enthalpy of reaction YNO3+2 +# Enthalpy of formation: -0 kcal/mol + +Y+3 + H2O = YOH+2 + H+ + -llnl_gamma 4.5 + log_k -7.6951 + -delta_H 0 # Not possible to calculate enthalpy of reaction YOH+2 +# Enthalpy of formation: -0 kcal/mol + +Y+3 + HPO4-2 = YPO4 + H+ + -llnl_gamma 3 + log_k 0.2782 + -delta_H 0 # Not possible to calculate enthalpy of reaction YPO4 +# Enthalpy of formation: -0 kcal/mol + +Y+3 + SO4-2 = YSO4+ + -llnl_gamma 4 + log_k 3.4 + -delta_H 0 # Not possible to calculate enthalpy of reaction YSO4+ +# Enthalpy of formation: -0 kcal/mol + +2 HAcetate + Yb+3 = Yb(Acetate)2+ + 2 H+ + -llnl_gamma 4 + log_k -5.131 + -delta_H -30.334 kJ/mol # Calculated enthalpy of reaction Yb(Acetate)2+ # Enthalpy of formation: -399.75 kcal/mol - -analytic -3.4286e+001 9.4069e-004 -6.5120e+002 1.0071e+001 5.4773e+005 + -analytic -3.4286e+1 9.4069e-4 -6.512e+2 1.0071e+1 5.4773e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Yb+++ = Yb(Acetate)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -8.5688 - -delta_H -51.4214 kJ/mol # Calculated enthalpy of reaction Yb(Acetate)3 +3 HAcetate + Yb+3 = Yb(Acetate)3 + 3 H+ + -llnl_gamma 3 + log_k -8.5688 + -delta_H -51.4214 kJ/mol # Calculated enthalpy of reaction Yb(Acetate)3 # Enthalpy of formation: -520.89 kcal/mol - -analytic -6.2211e+001 -6.1589e-004 5.9577e+002 1.7954e+001 6.6116e+005 + -analytic -6.2211e+1 -6.1589e-4 5.9577e+2 1.7954e+1 6.6116e+5 # -Range: 0-300 -2.0000 HCO3- + 1.0000 Yb+++ = Yb(CO3)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -7.0576 - -delta_H 0 # Not possible to calculate enthalpy of reaction Yb(CO3)2- +2 HCO3- + Yb+3 = Yb(CO3)2- + 2 H+ + -llnl_gamma 4 + log_k -7.0576 + -delta_H 0 # Not possible to calculate enthalpy of reaction Yb(CO3)2- # Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Yb+++ = Yb(HPO4)2- - -llnl_gamma 4.0 - log_k +10.2000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Yb(HPO4)2- + +2 HPO4-2 + Yb+3 = Yb(HPO4)2- + -llnl_gamma 4 + log_k 10.2 + -delta_H 0 # Not possible to calculate enthalpy of reaction Yb(HPO4)2- # Enthalpy of formation: -0 kcal/mol - + # Redundant with YbO2- #4.0000 H2O + 1.0000 Yb+++ = Yb(OH)4- +4.0000 H+ -# -llnl_gamma 4.0 +# -llnl_gamma 4.0 # log_k -32.6803 # -delta_H 0 # Not possible to calculate enthalpy of reaction Yb(OH)4- ## Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Yb+++ = Yb(PO4)2--- +2.0000 H+ - -llnl_gamma 4.0 - log_k -2.7437 - -delta_H 0 # Not possible to calculate enthalpy of reaction Yb(PO4)2-3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 Yb+++ = Yb(SO4)2- - -llnl_gamma 4.0 - log_k +5.1000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Yb(SO4)2- -# Enthalpy of formation: -0 kcal/mol - -1.0000 Yb+++ + 1.0000 HAcetate = YbAcetate++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -2.199 - -delta_H -15.2298 kJ/mol # Calculated enthalpy of reaction YbAcetate+2 + +2 HPO4-2 + Yb+3 = Yb(PO4)2-3 + 2 H+ + -llnl_gamma 4 + log_k -2.7437 + -delta_H 0 # Not possible to calculate enthalpy of reaction Yb(PO4)2-3 +# Enthalpy of formation: -0 kcal/mol + +2 SO4-2 + Yb+3 = Yb(SO4)2- + -llnl_gamma 4 + log_k 5.1 + -delta_H 0 # Not possible to calculate enthalpy of reaction Yb(SO4)2- +# Enthalpy of formation: -0 kcal/mol + +Yb+3 + HAcetate = YbAcetate+2 + H+ + -llnl_gamma 4.5 + log_k -2.199 + -delta_H -15.2298 kJ/mol # Calculated enthalpy of reaction YbAcetate+2 # Enthalpy of formation: -280.04 kcal/mol - -analytic -8.5003e+000 2.2459e-003 -9.6434e+002 2.0630e+000 3.3550e+005 + -analytic -8.5003e+0 2.2459e-3 -9.6434e+2 2.063e+0 3.355e+5 # -Range: 0-300 -1.0000 Yb+++ + 1.0000 HCO3- = YbCO3+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.0392 - -delta_H 82.8348 kJ/mol # Calculated enthalpy of reaction YbCO3+ +Yb+3 + HCO3- = YbCO3+ + H+ + -llnl_gamma 4 + log_k -2.0392 + -delta_H 82.8348 kJ/mol # Calculated enthalpy of reaction YbCO3+ # Enthalpy of formation: -305.4 kcal/mol - -analytic 2.3533e+002 5.4436e-002 -6.7871e+003 -9.3280e+001 -1.0598e+002 + -analytic 2.3533e+2 5.4436e-2 -6.7871e+3 -9.328e+1 -1.0598e+2 # -Range: 0-300 -1.0000 Yb+++ + 1.0000 Cl- = YbCl++ - -llnl_gamma 4.5 - log_k +0.1620 - -delta_H 13.9453 kJ/mol # Calculated enthalpy of reaction YbCl+2 +Yb+3 + Cl- = YbCl+2 + -llnl_gamma 4.5 + log_k 0.162 + -delta_H 13.9453 kJ/mol # Calculated enthalpy of reaction YbCl+2 # Enthalpy of formation: -196.9 kcal/mol - -analytic 8.0452e+001 3.8343e-002 -1.8176e+003 -3.4594e+001 -2.8386e+001 + -analytic 8.0452e+1 3.8343e-2 -1.8176e+3 -3.4594e+1 -2.8386e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Yb+++ = YbCl2+ - -llnl_gamma 4.0 - log_k -0.2624 - -delta_H 17.4305 kJ/mol # Calculated enthalpy of reaction YbCl2+ +2 Cl- + Yb+3 = YbCl2+ + -llnl_gamma 4 + log_k -0.2624 + -delta_H 17.4305 kJ/mol # Calculated enthalpy of reaction YbCl2+ # Enthalpy of formation: -236 kcal/mol - -analytic 2.1708e+002 8.0550e-002 -5.4744e+003 -9.0101e+001 -8.5487e+001 + -analytic 2.1708e+2 8.055e-2 -5.4744e+3 -9.0101e+1 -8.5487e+1 # -Range: 0-300 -3.0000 Cl- + 1.0000 Yb+++ = YbCl3 - -llnl_gamma 3.0 - log_k -0.7601 - -delta_H 8.36382 kJ/mol # Calculated enthalpy of reaction YbCl3 +3 Cl- + Yb+3 = YbCl3 + -llnl_gamma 3 + log_k -0.7601 + -delta_H 8.36382 kJ/mol # Calculated enthalpy of reaction YbCl3 # Enthalpy of formation: -278.1 kcal/mol - -analytic 4.0887e+002 1.2992e-001 -1.0578e+004 -1.6684e+002 -1.6518e+002 + -analytic 4.0887e+2 1.2992e-1 -1.0578e+4 -1.6684e+2 -1.6518e+2 # -Range: 0-300 -4.0000 Cl- + 1.0000 Yb+++ = YbCl4- - -llnl_gamma 4.0 - log_k -1.1845 - -delta_H -15.7653 kJ/mol # Calculated enthalpy of reaction YbCl4- +4 Cl- + Yb+3 = YbCl4- + -llnl_gamma 4 + log_k -1.1845 + -delta_H -15.7653 kJ/mol # Calculated enthalpy of reaction YbCl4- # Enthalpy of formation: -323.8 kcal/mol - -analytic 4.7560e+002 1.3032e-001 -1.2452e+004 -1.9149e+002 -1.9444e+002 + -analytic 4.756e+2 1.3032e-1 -1.2452e+4 -1.9149e+2 -1.9444e+2 # -Range: 0-300 -1.0000 Yb+++ + 1.0000 F- = YbF++ - -llnl_gamma 4.5 - log_k +4.8085 - -delta_H 23.2212 kJ/mol # Calculated enthalpy of reaction YbF+2 +Yb+3 + F- = YbF+2 + -llnl_gamma 4.5 + log_k 4.8085 + -delta_H 23.2212 kJ/mol # Calculated enthalpy of reaction YbF+2 # Enthalpy of formation: -234.9 kcal/mol - -analytic 1.0291e+002 4.2493e-002 -2.7637e+003 -4.1008e+001 -4.3156e+001 + -analytic 1.0291e+2 4.2493e-2 -2.7637e+3 -4.1008e+1 -4.3156e+1 # -Range: 0-300 -2.0000 F- + 1.0000 Yb+++ = YbF2+ - -llnl_gamma 4.0 - log_k +8.3709 - -delta_H 12.1336 kJ/mol # Calculated enthalpy of reaction YbF2+ +2 F- + Yb+3 = YbF2+ + -llnl_gamma 4 + log_k 8.3709 + -delta_H 12.1336 kJ/mol # Calculated enthalpy of reaction YbF2+ # Enthalpy of formation: -317.7 kcal/mol - -analytic 2.4281e+002 8.5385e-002 -5.6900e+003 -9.7299e+001 -8.8859e+001 + -analytic 2.4281e+2 8.5385e-2 -5.69e+3 -9.7299e+1 -8.8859e+1 # -Range: 0-300 -3.0000 F- + 1.0000 Yb+++ = YbF3 - -llnl_gamma 3.0 - log_k +11.0537 - -delta_H -13.1796 kJ/mol # Calculated enthalpy of reaction YbF3 +3 F- + Yb+3 = YbF3 + -llnl_gamma 3 + log_k 11.0537 + -delta_H -13.1796 kJ/mol # Calculated enthalpy of reaction YbF3 # Enthalpy of formation: -403.9 kcal/mol - -analytic 4.5227e+002 1.3659e-001 -1.0595e+004 -1.8038e+002 -1.6546e+002 + -analytic 4.5227e+2 1.3659e-1 -1.0595e+4 -1.8038e+2 -1.6546e+2 # -Range: 0-300 -4.0000 F- + 1.0000 Yb+++ = YbF4- - -llnl_gamma 4.0 - log_k +13.2234 - -delta_H -60.2496 kJ/mol # Calculated enthalpy of reaction YbF4- +4 F- + Yb+3 = YbF4- + -llnl_gamma 4 + log_k 13.2234 + -delta_H -60.2496 kJ/mol # Calculated enthalpy of reaction YbF4- # Enthalpy of formation: -495.3 kcal/mol - -analytic 5.0369e+002 1.3726e-001 -1.0671e+004 -2.0026e+002 -1.6666e+002 + -analytic 5.0369e+2 1.3726e-1 -1.0671e+4 -2.0026e+2 -1.6666e+2 # -Range: 0-300 -1.0000 Yb+++ + 1.0000 HPO4-- + 1.0000 H+ = YbH2PO4++ - -llnl_gamma 4.5 - log_k +9.5217 - -delta_H -20.0204 kJ/mol # Calculated enthalpy of reaction YbH2PO4+2 +Yb+3 + HPO4-2 + H+ = YbH2PO4+2 + -llnl_gamma 4.5 + log_k 9.5217 + -delta_H -20.0204 kJ/mol # Calculated enthalpy of reaction YbH2PO4+2 # Enthalpy of formation: -473.9 kcal/mol - -analytic 1.0919e+002 6.3749e-002 3.8909e+002 -4.8469e+001 6.0389e+000 + -analytic 1.0919e+2 6.3749e-2 3.8909e+2 -4.8469e+1 6.0389e+0 # -Range: 0-300 -1.0000 Yb+++ + 1.0000 HCO3- = YbHCO3++ - -llnl_gamma 4.5 - log_k +1.8398 - -delta_H 5.43083 kJ/mol # Calculated enthalpy of reaction YbHCO3+2 +Yb+3 + HCO3- = YbHCO3+2 + -llnl_gamma 4.5 + log_k 1.8398 + -delta_H 5.43083 kJ/mol # Calculated enthalpy of reaction YbHCO3+2 # Enthalpy of formation: -323.9 kcal/mol - -analytic 3.9175e+001 3.1796e-002 6.9728e+001 -1.9002e+001 1.0762e+000 + -analytic 3.9175e+1 3.1796e-2 6.9728e+1 -1.9002e+1 1.0762e+0 # -Range: 0-300 -1.0000 Yb+++ + 1.0000 HPO4-- = YbHPO4+ - -llnl_gamma 4.0 - log_k +6.0000 - -delta_H 0 # Not possible to calculate enthalpy of reaction YbHPO4+ +Yb+3 + HPO4-2 = YbHPO4+ + -llnl_gamma 4 + log_k 6 + -delta_H 0 # Not possible to calculate enthalpy of reaction YbHPO4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 Yb+++ + 1.0000 NO3- = YbNO3++ - -llnl_gamma 4.5 - log_k +0.2148 - -delta_H -32.9323 kJ/mol # Calculated enthalpy of reaction YbNO3+2 + +Yb+3 + NO3- = YbNO3+2 + -llnl_gamma 4.5 + log_k 0.2148 + -delta_H -32.9323 kJ/mol # Calculated enthalpy of reaction YbNO3+2 # Enthalpy of formation: -217.6 kcal/mol - -analytic 1.7237e+001 2.5684e-002 2.2806e+003 -1.3055e+001 3.5581e+001 + -analytic 1.7237e+1 2.5684e-2 2.2806e+3 -1.3055e+1 3.5581e+1 # -Range: 0-300 -1.0000 Yb+++ + 1.0000 H2O = YbO+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -15.7506 - -delta_H 105.508 kJ/mol # Calculated enthalpy of reaction YbO+ +Yb+3 + H2O = YbO+ + 2 H+ + -llnl_gamma 4 + log_k -15.7506 + -delta_H 105.508 kJ/mol # Calculated enthalpy of reaction YbO+ # Enthalpy of formation: -203.4 kcal/mol - -analytic 1.7675e+002 2.9078e-002 -1.3106e+004 -6.3534e+001 -2.0456e+002 + -analytic 1.7675e+2 2.9078e-2 -1.3106e+4 -6.3534e+1 -2.0456e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Yb+++ = YbO2- +4.0000 H+ - -llnl_gamma 4.0 - log_k -32.6741 - -delta_H 267.918 kJ/mol # Calculated enthalpy of reaction YbO2- +2 H2O + Yb+3 = YbO2- + 4 H+ + -llnl_gamma 4 + log_k -32.6741 + -delta_H 267.918 kJ/mol # Calculated enthalpy of reaction YbO2- # Enthalpy of formation: -232.9 kcal/mol - -analytic 1.5529e+002 1.0053e-002 -1.8749e+004 -5.1764e+001 -2.9260e+002 + -analytic 1.5529e+2 1.0053e-2 -1.8749e+4 -5.1764e+1 -2.926e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Yb+++ = YbO2H +3.0000 H+ - -llnl_gamma 3.0 - log_k -23.878 - -delta_H 211.016 kJ/mol # Calculated enthalpy of reaction YbO2H +2 H2O + Yb+3 = YbO2H + 3 H+ + -llnl_gamma 3 + log_k -23.878 + -delta_H 211.016 kJ/mol # Calculated enthalpy of reaction YbO2H # Enthalpy of formation: -246.5 kcal/mol - -analytic 3.2148e+002 4.4821e-002 -2.1971e+004 -1.1519e+002 -3.4293e+002 + -analytic 3.2148e+2 4.4821e-2 -2.1971e+4 -1.1519e+2 -3.4293e+2 # -Range: 0-300 -1.0000 Yb+++ + 1.0000 H2O = YbOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -7.6143 - -delta_H 74.9647 kJ/mol # Calculated enthalpy of reaction YbOH+2 +Yb+3 + H2O = YbOH+2 + H+ + -llnl_gamma 4.5 + log_k -7.6143 + -delta_H 74.9647 kJ/mol # Calculated enthalpy of reaction YbOH+2 # Enthalpy of formation: -210.7 kcal/mol - -analytic 5.8142e+001 1.1402e-002 -5.6488e+003 -2.0289e+001 -8.8160e+001 + -analytic 5.8142e+1 1.1402e-2 -5.6488e+3 -2.0289e+1 -8.816e+1 # -Range: 0-300 -1.0000 Yb+++ + 1.0000 HPO4-- = YbPO4 +1.0000 H+ - -llnl_gamma 3.0 - log_k +0.5782 - -delta_H 0 # Not possible to calculate enthalpy of reaction YbPO4 +Yb+3 + HPO4-2 = YbPO4 + H+ + -llnl_gamma 3 + log_k 0.5782 + -delta_H 0 # Not possible to calculate enthalpy of reaction YbPO4 # Enthalpy of formation: -0 kcal/mol - -1.0000 Yb+++ + 1.0000 SO4-- = YbSO4+ - -llnl_gamma 4.0 - log_k +3.5697 - -delta_H 1424.65 kJ/mol # Calculated enthalpy of reaction YbSO4+ + +Yb+3 + SO4-2 = YbSO4+ + -llnl_gamma 4 + log_k 3.5697 + -delta_H 1424.65 kJ/mol # Calculated enthalpy of reaction YbSO4+ # Enthalpy of formation: -37.2 kcal/mol - -analytic 3.0675e+002 8.6527e-002 -9.0298e+003 -1.2069e+002 -1.4099e+002 + -analytic 3.0675e+2 8.6527e-2 -9.0298e+3 -1.2069e+2 -1.4099e+2 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Zn++ = Zn(Acetate)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -6.062 - -delta_H -11.0458 kJ/mol # Calculated enthalpy of reaction Zn(Acetate)2 +2 HAcetate + Zn+2 = Zn(Acetate)2 + 2 H+ + -llnl_gamma 3 + log_k -6.062 + -delta_H -11.0458 kJ/mol # Calculated enthalpy of reaction Zn(Acetate)2 # Enthalpy of formation: -271.5 kcal/mol - -analytic -2.2038e+001 2.6133e-003 -2.7652e+003 6.8501e+000 6.7086e+005 + -analytic -2.2038e+1 2.6133e-3 -2.7652e+3 6.8501e+0 6.7086e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Zn++ = Zn(Acetate)3- +3.0000 H+ - -llnl_gamma 4.0 - log_k -10.0715 - -delta_H 25.355 kJ/mol # Calculated enthalpy of reaction Zn(Acetate)3- +3 HAcetate + Zn+2 = Zn(Acetate)3- + 3 H+ + -llnl_gamma 4 + log_k -10.0715 + -delta_H 25.355 kJ/mol # Calculated enthalpy of reaction Zn(Acetate)3- # Enthalpy of formation: -378.9 kcal/mol - -analytic 3.5104e+001 -6.1568e-003 -1.3379e+004 -8.7697e+000 2.0670e+006 + -analytic 3.5104e+1 -6.1568e-3 -1.3379e+4 -8.7697e+0 2.067e+6 # -Range: 0-300 -4.0000 Cyanide- + 1.0000 Zn++ = Zn(Cyanide)4-- - -llnl_gamma 4.0 - log_k +16.7040 - -delta_H -107.305 kJ/mol # Calculated enthalpy of reaction Zn(Cyanide)4-2 +4 Cyanide- + Zn+2 = Zn(Cyanide)4-2 + -llnl_gamma 4 + log_k 16.704 + -delta_H -107.305 kJ/mol # Calculated enthalpy of reaction Zn(Cyanide)4-2 # Enthalpy of formation: 341.806 kJ/mol - -analytic 3.6586e+002 1.2655e-001 -2.9546e+003 -1.5232e+002 -4.6213e+001 -# -Range: 0-300 - -2.0000 N3- + 1.0000 Zn++ = Zn(N3)2 - -llnl_gamma 3.0 - log_k +1.1954 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(N3)2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Zn++ + 1.0000 NH3 = Zn(NH3)++ - -llnl_gamma 4.5 - log_k +2.0527 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(NH3)+2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 NH3 + 1.0000 Zn++ = Zn(NH3)2++ - -llnl_gamma 4.5 - log_k +4.2590 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(NH3)2+2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 NH3 + 1.0000 Zn++ = Zn(NH3)3++ - -llnl_gamma 4.5 - log_k +6.4653 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(NH3)3+2 -# Enthalpy of formation: -0 kcal/mol - -4.0000 NH3 + 1.0000 Zn++ = Zn(NH3)4++ - -llnl_gamma 4.5 - log_k +8.3738 - -delta_H -54.9027 kJ/mol # Calculated enthalpy of reaction Zn(NH3)4+2 + -analytic 3.6586e+2 1.2655e-1 -2.9546e+3 -1.5232e+2 -4.6213e+1 +# -Range: 0-300 + +2 N3- + Zn+2 = Zn(N3)2 + -llnl_gamma 3 + log_k 1.1954 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(N3)2 +# Enthalpy of formation: -0 kcal/mol + +Zn+2 + NH3 = Zn(NH3)+2 + -llnl_gamma 4.5 + log_k 2.0527 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(NH3)+2 +# Enthalpy of formation: -0 kcal/mol + +2 NH3 + Zn+2 = Zn(NH3)2+2 + -llnl_gamma 4.5 + log_k 4.259 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(NH3)2+2 +# Enthalpy of formation: -0 kcal/mol + +3 NH3 + Zn+2 = Zn(NH3)3+2 + -llnl_gamma 4.5 + log_k 6.4653 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(NH3)3+2 +# Enthalpy of formation: -0 kcal/mol + +4 NH3 + Zn+2 = Zn(NH3)4+2 + -llnl_gamma 4.5 + log_k 8.3738 + -delta_H -54.9027 kJ/mol # Calculated enthalpy of reaction Zn(NH3)4+2 # Enthalpy of formation: -533.636 kJ/mol - -analytic 1.5851e+002 -6.3376e-003 -4.6783e+003 -5.3560e+001 -7.3047e+001 -# -Range: 0-300 - -2.0000 H2O + 1.0000 Zn++ = Zn(OH)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -17.3282 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 H2O + 1.0000 Zn++ = Zn(OH)3- +3.0000 H+ - -llnl_gamma 4.0 - log_k -28.8369 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)3- -# Enthalpy of formation: -0 kcal/mol - -4.0000 H2O + 1.0000 Zn++ = Zn(OH)4-- +4.0000 H+ - -llnl_gamma 4.0 - log_k -41.6052 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)4-2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Zn++ + 1.0000 H2O + 1.0000 Cl- = Zn(OH)Cl +1.0000 H+ - -llnl_gamma 3.0 - log_k -7.5417 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)Cl -# Enthalpy of formation: -0 kcal/mol - -2.0000 Thiocyanate- + 1.0000 Zn++ = Zn(Thiocyanate)2 - -llnl_gamma 3.0 - log_k +0.8800 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(Thiocyanate)2 -# Enthalpy of formation: -0 kcal/mol - -4.0000 Thiocyanate- + 1.0000 Zn++ = Zn(Thiocyanate)4-- - -llnl_gamma 4.0 - log_k +1.2479 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(Thiocyanate)4-2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Zn++ + 1.0000 Br- = ZnBr+ - -llnl_gamma 4.0 - log_k -0.6365 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZnBr+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 Br- + 1.0000 Zn++ = ZnBr2 - -llnl_gamma 3.0 - log_k -1.0492 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZnBr2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 Br- + 1.0000 Zn++ = ZnBr3- - -llnl_gamma 4.0 - log_k -1.8474 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZnBr3- -# Enthalpy of formation: -0 kcal/mol - -1.0000 Zn++ + 1.0000 HAcetate = ZnAcetate+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -3.1519 - -delta_H -9.87424 kJ/mol # Calculated enthalpy of reaction ZnAcetate+ + -analytic 1.5851e+2 -6.3376e-3 -4.6783e+3 -5.356e+1 -7.3047e+1 +# -Range: 0-300 + +2 H2O + Zn+2 = Zn(OH)2 + 2 H+ + -llnl_gamma 3 + log_k -17.3282 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)2 +# Enthalpy of formation: -0 kcal/mol + +3 H2O + Zn+2 = Zn(OH)3- + 3 H+ + -llnl_gamma 4 + log_k -28.8369 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)3- +# Enthalpy of formation: -0 kcal/mol + +4 H2O + Zn+2 = Zn(OH)4-2 + 4 H+ + -llnl_gamma 4 + log_k -41.6052 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)4-2 +# Enthalpy of formation: -0 kcal/mol + +Zn+2 + H2O + Cl- = Zn(OH)Cl + H+ + -llnl_gamma 3 + log_k -7.5417 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)Cl +# Enthalpy of formation: -0 kcal/mol + +2 Thiocyanate- + Zn+2 = Zn(Thiocyanate)2 + -llnl_gamma 3 + log_k 0.88 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(Thiocyanate)2 +# Enthalpy of formation: -0 kcal/mol + +4 Thiocyanate- + Zn+2 = Zn(Thiocyanate)4-2 + -llnl_gamma 4 + log_k 1.2479 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(Thiocyanate)4-2 +# Enthalpy of formation: -0 kcal/mol + +Zn+2 + Br- = ZnBr+ + -llnl_gamma 4 + log_k -0.6365 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZnBr+ +# Enthalpy of formation: -0 kcal/mol + +2 Br- + Zn+2 = ZnBr2 + -llnl_gamma 3 + log_k -1.0492 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZnBr2 +# Enthalpy of formation: -0 kcal/mol + +3 Br- + Zn+2 = ZnBr3- + -llnl_gamma 4 + log_k -1.8474 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZnBr3- +# Enthalpy of formation: -0 kcal/mol + +Zn+2 + HAcetate = ZnAcetate+ + H+ + -llnl_gamma 4 + log_k -3.1519 + -delta_H -9.87424 kJ/mol # Calculated enthalpy of reaction ZnAcetate+ # Enthalpy of formation: -155.12 kcal/mol - -analytic -7.9367e+000 2.8564e-003 -1.4514e+003 2.5010e+000 2.3343e+005 + -analytic -7.9367e+0 2.8564e-3 -1.4514e+3 2.501e+0 2.3343e+5 # -Range: 0-300 -1.0000 Zn++ + 1.0000 HCO3- = ZnCO3 +1.0000 H+ - -llnl_gamma 3.0 - log_k -6.4288 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZnCO3 +Zn+2 + HCO3- = ZnCO3 + H+ + -llnl_gamma 3 + log_k -6.4288 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZnCO3 # Enthalpy of formation: -0 kcal/mol - -1.0000 Zn++ + 1.0000 Cl- = ZnCl+ - -llnl_gamma 4.0 - log_k +0.1986 - -delta_H 43.317 kJ/mol # Calculated enthalpy of reaction ZnCl+ + +Zn+2 + Cl- = ZnCl+ + -llnl_gamma 4 + log_k 0.1986 + -delta_H 43.317 kJ/mol # Calculated enthalpy of reaction ZnCl+ # Enthalpy of formation: -66.24 kcal/mol - -analytic 1.1235e+002 4.4461e-002 -4.1662e+003 -4.5023e+001 -6.5042e+001 + -analytic 1.1235e+2 4.4461e-2 -4.1662e+3 -4.5023e+1 -6.5042e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Zn++ = ZnCl2 - -llnl_gamma 3.0 - log_k +0.2507 - -delta_H 31.1541 kJ/mol # Calculated enthalpy of reaction ZnCl2 +2 Cl- + Zn+2 = ZnCl2 + -llnl_gamma 3 + log_k 0.2507 + -delta_H 31.1541 kJ/mol # Calculated enthalpy of reaction ZnCl2 # Enthalpy of formation: -109.08 kcal/mol - -analytic 1.7824e+002 7.5733e-002 -4.6251e+003 -7.4770e+001 -7.2224e+001 + -analytic 1.7824e+2 7.5733e-2 -4.6251e+3 -7.477e+1 -7.2224e+1 # -Range: 0-300 -3.0000 Cl- + 1.0000 Zn++ = ZnCl3- - -llnl_gamma 4.0 - log_k -0.0198 - -delta_H 22.5894 kJ/mol # Calculated enthalpy of reaction ZnCl3- +3 Cl- + Zn+2 = ZnCl3- + -llnl_gamma 4 + log_k -0.0198 + -delta_H 22.5894 kJ/mol # Calculated enthalpy of reaction ZnCl3- # Enthalpy of formation: -151.06 kcal/mol - -analytic 1.3889e+002 7.4712e-002 -2.1527e+003 -6.2200e+001 -3.3633e+001 + -analytic 1.3889e+2 7.4712e-2 -2.1527e+3 -6.22e+1 -3.3633e+1 # -Range: 0-300 -4.0000 Cl- + 1.0000 Zn++ = ZnCl4-- - -llnl_gamma 4.0 - log_k +0.8605 - -delta_H 4.98733 kJ/mol # Calculated enthalpy of reaction ZnCl4-2 +4 Cl- + Zn+2 = ZnCl4-2 + -llnl_gamma 4 + log_k 0.8605 + -delta_H 4.98733 kJ/mol # Calculated enthalpy of reaction ZnCl4-2 # Enthalpy of formation: -195.2 kcal/mol - -analytic 8.4294e+001 7.0021e-002 3.9150e+002 -4.2664e+001 6.0834e+000 + -analytic 8.4294e+1 7.0021e-2 3.915e+2 -4.2664e+1 6.0834e+0 # -Range: 0-300 -1.0000 Zn++ + 1.0000 ClO4- = ZnClO4+ - -llnl_gamma 4.0 - log_k +1.2768 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZnClO4+ +Zn+2 + ClO4- = ZnClO4+ + -llnl_gamma 4 + log_k 1.2768 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZnClO4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 Zn++ + 1.0000 F- = ZnF+ - -llnl_gamma 4.0 - log_k +1.1500 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZnF+ + +Zn+2 + F- = ZnF+ + -llnl_gamma 4 + log_k 1.15 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZnF+ # Enthalpy of formation: -0 kcal/mol - -1.0000 Zn++ + 1.0000 HPO4-- + 1.0000 H+ = ZnH2PO4+ - -llnl_gamma 4.0 - log_k +0.4300 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZnH2PO4+ + +Zn+2 + HPO4-2 + H+ = ZnH2PO4+ + -llnl_gamma 4 + log_k 0.43 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZnH2PO4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 Zn++ + 1.0000 HCO3- = ZnHCO3+ - -llnl_gamma 4.0 - log_k +1.4200 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZnHCO3+ + +Zn+2 + HCO3- = ZnHCO3+ + -llnl_gamma 4 + log_k 1.42 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZnHCO3+ # Enthalpy of formation: -0 kcal/mol - -analytic 5.1115e+002 1.2911e-001 -1.5292e+004 -2.0083e+002 -2.2721e+002 + -analytic 5.1115e+2 1.2911e-1 -1.5292e+4 -2.0083e+2 -2.2721e+2 # -Range: 25-300 -1.0000 Zn++ + 1.0000 HPO4-- = ZnHPO4 - -llnl_gamma 3.0 - log_k +3.2600 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZnHPO4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Zn++ + 1.0000 I- = ZnI+ - -llnl_gamma 4.0 - log_k -3.0134 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZnI+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 I- + 1.0000 Zn++ = ZnI2 - -llnl_gamma 3.0 - log_k -1.8437 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZnI2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 I- + 1.0000 Zn++ = ZnI3- - -llnl_gamma 4.0 - log_k -2.0054 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZnI3- -# Enthalpy of formation: -0 kcal/mol - -4.0000 I- + 1.0000 Zn++ = ZnI4-- - -llnl_gamma 4.0 - log_k -2.6052 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZnI4-2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Zn++ + 1.0000 N3- = ZnN3+ - -llnl_gamma 4.0 - log_k +0.4420 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZnN3+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Zn++ + 1.0000 H2O = ZnOH+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -8.96 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZnOH+ -# Enthalpy of formation: -0 kcal/mol - -analytic -7.8600e-001 -2.9499e-004 -2.8673e+003 6.1892e-001 -4.2576e+001 +Zn+2 + HPO4-2 = ZnHPO4 + -llnl_gamma 3 + log_k 3.26 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZnHPO4 +# Enthalpy of formation: -0 kcal/mol + +Zn+2 + I- = ZnI+ + -llnl_gamma 4 + log_k -3.0134 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZnI+ +# Enthalpy of formation: -0 kcal/mol + +2 I- + Zn+2 = ZnI2 + -llnl_gamma 3 + log_k -1.8437 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZnI2 +# Enthalpy of formation: -0 kcal/mol + +3 I- + Zn+2 = ZnI3- + -llnl_gamma 4 + log_k -2.0054 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZnI3- +# Enthalpy of formation: -0 kcal/mol + +4 I- + Zn+2 = ZnI4-2 + -llnl_gamma 4 + log_k -2.6052 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZnI4-2 +# Enthalpy of formation: -0 kcal/mol + +Zn+2 + N3- = ZnN3+ + -llnl_gamma 4 + log_k 0.442 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZnN3+ +# Enthalpy of formation: -0 kcal/mol + +Zn+2 + H2O = ZnOH+ + H+ + -llnl_gamma 4 + log_k -8.96 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZnOH+ +# Enthalpy of formation: -0 kcal/mol + -analytic -7.86e-1 -2.9499e-4 -2.8673e+3 6.1892e-1 -4.2576e+1 # -Range: 25-300 -1.0000 Zn++ + 1.0000 HPO4-- = ZnPO4- +1.0000 H+ - -llnl_gamma 4.0 - log_k -4.3018 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZnPO4- +Zn+2 + HPO4-2 = ZnPO4- + H+ + -llnl_gamma 4 + log_k -4.3018 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZnPO4- # Enthalpy of formation: -0 kcal/mol - -1.0000 Zn++ + 1.0000 SO4-- = ZnSO4 - -llnl_gamma 3.0 - log_k +2.3062 - -delta_H 15.277 kJ/mol # Calculated enthalpy of reaction ZnSO4 + +Zn+2 + SO4-2 = ZnSO4 + -llnl_gamma 3 + log_k 2.3062 + -delta_H 15.277 kJ/mol # Calculated enthalpy of reaction ZnSO4 # Enthalpy of formation: -1047.71 kJ/mol - -analytic 1.3640e+002 5.1256e-002 -3.4422e+003 -5.5695e+001 -5.8501e+001 -# -Range: 0-200 - -1.0000 Zn++ + 1.0000 SeO4-- = ZnSeO4 - -llnl_gamma 3.0 - log_k +2.1900 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZnSeO4 -# Enthalpy of formation: -0 kcal/mol - -3.0000 H2O + 1.0000 Zr++++ = Zr(OH)3+ +3.0000 H+ - -llnl_gamma 4.0 - log_k -0.6693 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zr(OH)3+ -# Enthalpy of formation: -0 kcal/mol - -4.0000 H2O + 1.0000 Zr++++ = Zr(OH)4 +4.0000 H+ - -llnl_gamma 3.0 - log_k -1.4666 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zr(OH)4 -# Enthalpy of formation: -0 kcal/mol - -5.0000 H2O + 1.0000 Zr++++ = Zr(OH)5- +5.0000 H+ - -llnl_gamma 4.0 - log_k -15.9754 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zr(OH)5- -# Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 Zr++++ = Zr(SO4)2 - -llnl_gamma 3.0 - log_k +6.2965 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zr(SO4)2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 SO4-- + 1.0000 Zr++++ = Zr(SO4)3-- - -llnl_gamma 4.0 - log_k +7.3007 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zr(SO4)3-2 -# Enthalpy of formation: -0 kcal/mol - -4.0000 H2O + 3.0000 Zr++++ = Zr3(OH)4+8 +4.0000 H+ - -llnl_gamma 6.0 - log_k -0.5803 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zr3(OH)4+8 -# Enthalpy of formation: -0 kcal/mol - -8.0000 H2O + 4.0000 Zr++++ = Zr4(OH)8+8 +8.0000 H+ - -llnl_gamma 6.0 - log_k -5.9606 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zr4(OH)8+8 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Zr++++ + 1.0000 F- = ZrF+++ - -llnl_gamma 5.0 - log_k +8.5835 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF+3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 F- + 1.0000 Zr++++ = ZrF2++ - -llnl_gamma 4.5 - log_k +15.7377 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF2+2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 F- + 1.0000 Zr++++ = ZrF3+ - -llnl_gamma 4.0 - log_k +21.2792 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF3+ -# Enthalpy of formation: -0 kcal/mol - -4.0000 F- + 1.0000 Zr++++ = ZrF4 - -llnl_gamma 3.0 - log_k +25.9411 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF4 -# Enthalpy of formation: -0 kcal/mol - -5.0000 F- + 1.0000 Zr++++ = ZrF5- - -llnl_gamma 4.0 - log_k +30.3098 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF5- -# Enthalpy of formation: -0 kcal/mol - -6.0000 F- + 1.0000 Zr++++ = ZrF6-- - -llnl_gamma 4.0 - log_k +34.0188 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF6-2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Zr++++ + 1.0000 H2O = ZrOH+++ +1.0000 H+ - -llnl_gamma 5.0 - log_k +0.0457 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZrOH+3 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Zr++++ + 1.0000 SO4-- = ZrSO4++ - -llnl_gamma 4.5 - log_k +3.6064 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZrSO4+2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 H+ + 1.0000 O_phthalate-2 = H2O_phthalate - -llnl_gamma 3.0 - log_k +8.3580 - -delta_H 0 # Not possible to calculate enthalpy of reaction H2O_phthalate -# Enthalpy of formation: -0 kcal/mol - + -analytic 1.364e+2 5.1256e-2 -3.4422e+3 -5.5695e+1 -5.8501e+1 +# -Range: 0-200 + +Zn+2 + SeO4-2 = ZnSeO4 + -llnl_gamma 3 + log_k 2.19 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZnSeO4 +# Enthalpy of formation: -0 kcal/mol + +3 H2O + Zr+4 = Zr(OH)3+ + 3 H+ + -llnl_gamma 4 + log_k -0.6693 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zr(OH)3+ +# Enthalpy of formation: -0 kcal/mol + +4 H2O + Zr+4 = Zr(OH)4 + 4 H+ + -llnl_gamma 3 + log_k -1.4666 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zr(OH)4 +# Enthalpy of formation: -0 kcal/mol + +5 H2O + Zr+4 = Zr(OH)5- + 5 H+ + -llnl_gamma 4 + log_k -15.9754 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zr(OH)5- +# Enthalpy of formation: -0 kcal/mol + +2 SO4-2 + Zr+4 = Zr(SO4)2 + -llnl_gamma 3 + log_k 6.2965 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zr(SO4)2 +# Enthalpy of formation: -0 kcal/mol + +3 SO4-2 + Zr+4 = Zr(SO4)3-2 + -llnl_gamma 4 + log_k 7.3007 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zr(SO4)3-2 +# Enthalpy of formation: -0 kcal/mol + +4 H2O + 3 Zr+4 = Zr3(OH)4+8 + 4 H+ + -llnl_gamma 6 + log_k -0.5803 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zr3(OH)4+8 +# Enthalpy of formation: -0 kcal/mol + +8 H2O + 4 Zr+4 = Zr4(OH)8+8 + 8 H+ + -llnl_gamma 6 + log_k -5.9606 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zr4(OH)8+8 +# Enthalpy of formation: -0 kcal/mol + +Zr+4 + F- = ZrF+3 + -llnl_gamma 5 + log_k 8.5835 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF+3 +# Enthalpy of formation: -0 kcal/mol + +2 F- + Zr+4 = ZrF2+2 + -llnl_gamma 4.5 + log_k 15.7377 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF2+2 +# Enthalpy of formation: -0 kcal/mol + +3 F- + Zr+4 = ZrF3+ + -llnl_gamma 4 + log_k 21.2792 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF3+ +# Enthalpy of formation: -0 kcal/mol + +4 F- + Zr+4 = ZrF4 + -llnl_gamma 3 + log_k 25.9411 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF4 +# Enthalpy of formation: -0 kcal/mol + +5 F- + Zr+4 = ZrF5- + -llnl_gamma 4 + log_k 30.3098 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF5- +# Enthalpy of formation: -0 kcal/mol + +6 F- + Zr+4 = ZrF6-2 + -llnl_gamma 4 + log_k 34.0188 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF6-2 +# Enthalpy of formation: -0 kcal/mol + +Zr+4 + H2O = ZrOH+3 + H+ + -llnl_gamma 5 + log_k 0.0457 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZrOH+3 +# Enthalpy of formation: -0 kcal/mol + +Zr+4 + SO4-2 = ZrSO4+2 + -llnl_gamma 4.5 + log_k 3.6064 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZrSO4+2 +# Enthalpy of formation: -0 kcal/mol + +2 H+ + O_phthalate-2 = H2O_phthalate + -llnl_gamma 3 + log_k 8.358 + -delta_H 0 # Not possible to calculate enthalpy of reaction H2O_phthalate +# Enthalpy of formation: -0 kcal/mol + PHASES # 1122 minerals (UO2)2As2O7 - (UO2)2As2O7 +2.0000 H+ +1.0000 H2O = + 2.0000 H2AsO4- + 2.0000 UO2++ - log_k 7.7066 - -delta_H -145.281 kJ/mol # Calculated enthalpy of reaction (UO2)2As2O7 + (UO2)2As2O7 + 2 H+ + H2O = 2 H2AsO4- + 2 UO2+2 + log_k 7.7066 + -delta_H -145.281 kJ/mol # Calculated enthalpy of reaction (UO2)2As2O7 # Enthalpy of formation: -3426 kJ/mol - -analytic -1.6147e+002 -6.3487e-002 1.0052e+004 6.2384e+001 1.5691e+002 + -analytic -1.6147e+2 -6.3487e-2 1.0052e+4 6.2384e+1 1.5691e+2 # -Range: 0-300 (UO2)2Cl3 - (UO2)2Cl3 = + 1.0000 UO2+ + 1.0000 UO2++ + 3.0000 Cl- - log_k 12.7339 - -delta_H -140.866 kJ/mol # Calculated enthalpy of reaction (UO2)2Cl3 + (UO2)2Cl3 = UO2+ + UO2+2 + 3 Cl- + log_k 12.7339 + -delta_H -140.866 kJ/mol # Calculated enthalpy of reaction (UO2)2Cl3 # Enthalpy of formation: -2404.5 kJ/mol - -analytic -2.3895e+002 -9.2925e-002 1.1722e+004 9.6999e+001 1.8298e+002 + -analytic -2.3895e+2 -9.2925e-2 1.1722e+4 9.6999e+1 1.8298e+2 # -Range: 0-300 (UO2)2P2O7 - (UO2)2P2O7 +1.0000 H2O = + 2.0000 HPO4-- + 2.0000 UO2++ - log_k -14.6827 - -delta_H -103.726 kJ/mol # Calculated enthalpy of reaction (UO2)2P2O7 + (UO2)2P2O7 + H2O = 2 HPO4-2 + 2 UO2+2 + log_k -14.6827 + -delta_H -103.726 kJ/mol # Calculated enthalpy of reaction (UO2)2P2O7 # Enthalpy of formation: -4232.6 kJ/mol - -analytic -3.4581e+002 -1.3987e-001 1.0703e+004 1.3613e+002 1.6712e+002 + -analytic -3.4581e+2 -1.3987e-1 1.0703e+4 1.3613e+2 1.6712e+2 # -Range: 0-300 (UO2)3(AsO4)2 - (UO2)3(AsO4)2 +4.0000 H+ = + 2.0000 H2AsO4- + 3.0000 UO2++ - log_k 9.3177 - -delta_H -186.72 kJ/mol # Calculated enthalpy of reaction (UO2)3(AsO4)2 + (UO2)3(AsO4)2 + 4 H+ = 2 H2AsO4- + 3 UO2+2 + log_k 9.3177 + -delta_H -186.72 kJ/mol # Calculated enthalpy of reaction (UO2)3(AsO4)2 # Enthalpy of formation: -4689.4 kJ/mol - -analytic -1.9693e+002 -7.3236e-002 1.2936e+004 7.4631e+001 2.0192e+002 + -analytic -1.9693e+2 -7.3236e-2 1.2936e+4 7.4631e+1 2.0192e+2 # -Range: 0-300 (UO2)3(PO4)2 - (UO2)3(PO4)2 +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 UO2++ - log_k -14.0241 - -delta_H -149.864 kJ/mol # Calculated enthalpy of reaction (UO2)3(PO4)2 + (UO2)3(PO4)2 + 2 H+ = 2 HPO4-2 + 3 UO2+2 + log_k -14.0241 + -delta_H -149.864 kJ/mol # Calculated enthalpy of reaction (UO2)3(PO4)2 # Enthalpy of formation: -5491.3 kJ/mol - -analytic -3.6664e+002 -1.4347e-001 1.3486e+004 1.4148e+002 2.1054e+002 + -analytic -3.6664e+2 -1.4347e-1 1.3486e+4 1.4148e+2 2.1054e+2 # -Range: 0-300 (UO2)3(PO4)2:4H2O - (UO2)3(PO4)2:4H2O +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 UO2++ + 4.0000 H2O - log_k -27.0349 - -delta_H -45.4132 kJ/mol # Calculated enthalpy of reaction (UO2)3(PO4)2:4H2O + (UO2)3(PO4)2:4H2O + 2 H+ = 2 HPO4-2 + 3 UO2+2 + 4 H2O + log_k -27.0349 + -delta_H -45.4132 kJ/mol # Calculated enthalpy of reaction (UO2)3(PO4)2:4H2O # Enthalpy of formation: -6739.1 kJ/mol - -analytic -1.5721e+002 -4.1375e-002 5.2046e+003 5.0531e+001 8.8434e+001 + -analytic -1.5721e+2 -4.1375e-2 5.2046e+3 5.0531e+1 8.8434e+1 # -Range: 0-200 (VO)3(PO4)2 - (VO)3(PO4)2 +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 VO++ - log_k 48.7864 - -delta_H 0 # Not possible to calculate enthalpy of reaction (VO)3(PO4)2 + (VO)3(PO4)2 + 2 H+ = 2 HPO4-2 + 3 VO+2 + log_k 48.7864 + -delta_H 0 # Not possible to calculate enthalpy of reaction (VO)3(PO4)2 # Enthalpy of formation: 0 kcal/mol Acanthite - Ag2S +1.0000 H+ = + 1.0000 HS- + 2.0000 Ag+ - log_k -36.0346 - -delta_H 226.982 kJ/mol # Calculated enthalpy of reaction Acanthite + Ag2S + H+ = HS- + 2 Ag+ + log_k -36.0346 + -delta_H 226.982 kJ/mol # Calculated enthalpy of reaction Acanthite # Enthalpy of formation: -7.55 kcal/mol - -analytic -1.6067e+002 -4.7139e-002 -7.4522e+003 6.6140e+001 -1.1624e+002 + -analytic -1.6067e+2 -4.7139e-2 -7.4522e+3 6.614e+1 -1.1624e+2 # -Range: 0-300 Afwillite - Ca3Si2O4(OH)6 +6.0000 H+ = + 2.0000 SiO2 + 3.0000 Ca++ + 6.0000 H2O - log_k 60.0452 - -delta_H -316.059 kJ/mol # Calculated enthalpy of reaction Afwillite + Ca3Si2O4(OH)6 + 6 H+ = 2 SiO2 + 3 Ca+2 + 6 H2O + log_k 60.0452 + -delta_H -316.059 kJ/mol # Calculated enthalpy of reaction Afwillite # Enthalpy of formation: -1143.31 kcal/mol - -analytic 1.8353e+001 1.9014e-003 1.8478e+004 -6.6311e+000 -4.0227e+005 + -analytic 1.8353e+1 1.9014e-3 1.8478e+4 -6.6311e+0 -4.0227e+5 # -Range: 0-300 Ag - Ag +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Ag+ - log_k 7.9937 - -delta_H -34.1352 kJ/mol # Calculated enthalpy of reaction Ag + Ag + H+ + 0.25 O2 = 0.5 H2O + Ag+ + log_k 7.9937 + -delta_H -34.1352 kJ/mol # Calculated enthalpy of reaction Ag # Enthalpy of formation: 0 kcal/mol - -analytic -1.4144e+001 -3.8466e-003 2.2642e+003 6.3388e+000 3.5334e+001 + -analytic -1.4144e+1 -3.8466e-3 2.2642e+3 6.3388e+0 3.5334e+1 # -Range: 0-300 Ag3PO4 - Ag3PO4 +1.0000 H+ = + 1.0000 HPO4-- + 3.0000 Ag+ - log_k -5.2282 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ag3PO4 + Ag3PO4 + H+ = HPO4-2 + 3 Ag+ + log_k -5.2282 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ag3PO4 # Enthalpy of formation: 0 kcal/mol Ahlfeldite - NiSeO3:2H2O = + 1.0000 Ni++ + 1.0000 SeO3-- + 2.0000 H2O - log_k -4.4894 - -delta_H -25.7902 kJ/mol # Calculated enthalpy of reaction Ahlfeldite + NiSeO3:2H2O = Ni+2 + SeO3-2 + 2 H2O + log_k -4.4894 + -delta_H -25.7902 kJ/mol # Calculated enthalpy of reaction Ahlfeldite # Enthalpy of formation: -265.07 kcal/mol - -analytic -2.6210e+001 -1.6952e-002 1.0405e+003 9.4054e+000 1.7678e+001 + -analytic -2.621e+1 -1.6952e-2 1.0405e+3 9.4054e+0 1.7678e+1 # -Range: 0-200 Akermanite - Ca2MgSi2O7 +6.0000 H+ = + 1.0000 Mg++ + 2.0000 Ca++ + 2.0000 SiO2 + 3.0000 H2O - log_k 45.3190 - -delta_H -288.575 kJ/mol # Calculated enthalpy of reaction Akermanite + Ca2MgSi2O7 + 6 H+ = Mg+2 + 2 Ca+2 + 2 SiO2 + 3 H2O + log_k 45.319 + -delta_H -288.575 kJ/mol # Calculated enthalpy of reaction Akermanite # Enthalpy of formation: -926.497 kcal/mol - -analytic -4.8295e+001 -8.5613e-003 2.0880e+004 1.3798e+001 -7.1975e+005 + -analytic -4.8295e+1 -8.5613e-3 2.088e+4 1.3798e+1 -7.1975e+5 # -Range: 0-300 Al - Al +3.0000 H+ +0.7500 O2 = + 1.0000 Al+++ + 1.5000 H2O - log_k 149.9292 - -delta_H -958.059 kJ/mol # Calculated enthalpy of reaction Al + Al + 3 H+ + 0.75 O2 = Al+3 + 1.5 H2O + log_k 149.9292 + -delta_H -958.059 kJ/mol # Calculated enthalpy of reaction Al # Enthalpy of formation: 0 kJ/mol - -analytic -1.8752e+002 -4.6187e-002 5.7127e+004 6.6270e+001 -3.8952e+005 + -analytic -1.8752e+2 -4.6187e-2 5.7127e+4 6.627e+1 -3.8952e+5 # -Range: 0-300 Al2(SO4)3 - Al2(SO4)3 = + 2.0000 Al+++ + 3.0000 SO4-- - log_k 19.0535 - -delta_H -364.566 kJ/mol # Calculated enthalpy of reaction Al2(SO4)3 + Al2(SO4)3 = 2 Al+3 + 3 SO4-2 + log_k 19.0535 + -delta_H -364.566 kJ/mol # Calculated enthalpy of reaction Al2(SO4)3 # Enthalpy of formation: -3441.04 kJ/mol - -analytic -6.1001e+002 -2.4268e-001 2.9194e+004 2.4383e+002 4.5573e+002 + -analytic -6.1001e+2 -2.4268e-1 2.9194e+4 2.4383e+2 4.5573e+2 # -Range: 0-300 Al2(SO4)3:6H2O - Al2(SO4)3:6H2O = + 2.0000 Al+++ + 3.0000 SO4-- + 6.0000 H2O - log_k 1.6849 - -delta_H -208.575 kJ/mol # Calculated enthalpy of reaction Al2(SO4)3:6H2O + Al2(SO4)3:6H2O = 2 Al+3 + 3 SO4-2 + 6 H2O + log_k 1.6849 + -delta_H -208.575 kJ/mol # Calculated enthalpy of reaction Al2(SO4)3:6H2O # Enthalpy of formation: -5312.06 kJ/mol - -analytic -7.1642e+002 -2.4552e-001 2.6064e+004 2.8441e+002 4.0691e+002 + -analytic -7.1642e+2 -2.4552e-1 2.6064e+4 2.8441e+2 4.0691e+2 # -Range: 0-300 AlF3 - AlF3 = + 1.0000 Al+++ + 3.0000 F- - log_k -17.2089 - -delta_H -34.0441 kJ/mol # Calculated enthalpy of reaction AlF3 + AlF3 = Al+3 + 3 F- + log_k -17.2089 + -delta_H -34.0441 kJ/mol # Calculated enthalpy of reaction AlF3 # Enthalpy of formation: -1510.4 kJ/mol - -analytic -3.9865e+002 -1.3388e-001 1.0211e+004 1.5642e+002 1.5945e+002 + -analytic -3.9865e+2 -1.3388e-1 1.0211e+4 1.5642e+2 1.5945e+2 # -Range: 0-300 Alabandite - MnS +1.0000 H+ = + 1.0000 HS- + 1.0000 Mn++ - log_k -0.3944 - -delta_H -23.3216 kJ/mol # Calculated enthalpy of reaction Alabandite + MnS + H+ = HS- + Mn+2 + log_k -0.3944 + -delta_H -23.3216 kJ/mol # Calculated enthalpy of reaction Alabandite # Enthalpy of formation: -51 kcal/mol - -analytic -1.5515e+002 -4.8820e-002 4.9049e+003 6.1765e+001 7.6583e+001 + -analytic -1.5515e+2 -4.882e-2 4.9049e+3 6.1765e+1 7.6583e+1 # -Range: 0-300 Alamosite - PbSiO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 Pb++ + 1.0000 SiO2 - log_k 5.6733 - -delta_H -16.5164 kJ/mol # Calculated enthalpy of reaction Alamosite + PbSiO3 + 2 H+ = H2O + Pb+2 + SiO2 + log_k 5.6733 + -delta_H -16.5164 kJ/mol # Calculated enthalpy of reaction Alamosite # Enthalpy of formation: -1146.1 kJ/mol - -analytic 2.9941e+002 6.7871e-002 -8.1706e+003 -1.1582e+002 -1.3885e+002 + -analytic 2.9941e+2 6.7871e-2 -8.1706e+3 -1.1582e+2 -1.3885e+2 # -Range: 0-200 Albite - NaAlSi3O8 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 Na+ + 2.0000 H2O + 3.0000 SiO2 - log_k 2.7645 - -delta_H -51.8523 kJ/mol # Calculated enthalpy of reaction Albite + NaAlSi3O8 + 4 H+ = Al+3 + Na+ + 2 H2O + 3 SiO2 + log_k 2.7645 + -delta_H -51.8523 kJ/mol # Calculated enthalpy of reaction Albite # Enthalpy of formation: -939.68 kcal/mol - -analytic -1.1694e+001 1.4429e-002 1.3784e+004 -7.2866e+000 -1.6136e+006 + -analytic -1.1694e+1 1.4429e-2 1.3784e+4 -7.2866e+0 -1.6136e+6 # -Range: 0-300 Albite_high - NaAlSi3O8 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 Na+ + 2.0000 H2O + 3.0000 SiO2 - log_k 4.0832 - -delta_H -62.8562 kJ/mol # Calculated enthalpy of reaction Albite_high + NaAlSi3O8 + 4 H+ = Al+3 + Na+ + 2 H2O + 3 SiO2 + log_k 4.0832 + -delta_H -62.8562 kJ/mol # Calculated enthalpy of reaction Albite_high # Enthalpy of formation: -937.05 kcal/mol - -analytic -1.8957e+001 1.3726e-002 1.4801e+004 -4.9732e+000 -1.6442e+006 + -analytic -1.8957e+1 1.3726e-2 1.4801e+4 -4.9732e+0 -1.6442e+6 # -Range: 0-300 Albite_low - NaAlSi3O8 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 Na+ + 2.0000 H2O + 3.0000 SiO2 - log_k 2.7645 - -delta_H -51.8523 kJ/mol # Calculated enthalpy of reaction Albite_low + NaAlSi3O8 + 4 H+ = Al+3 + Na+ + 2 H2O + 3 SiO2 + log_k 2.7645 + -delta_H -51.8523 kJ/mol # Calculated enthalpy of reaction Albite_low # Enthalpy of formation: -939.68 kcal/mol - -analytic -1.2860e+001 1.4481e-002 1.3913e+004 -6.9417e+000 -1.6256e+006 + -analytic -1.286e+1 1.4481e-2 1.3913e+4 -6.9417e+0 -1.6256e+6 # -Range: 0-300 Alstonite - BaCa(CO3)2 +2.0000 H+ = + 1.0000 Ba++ + 1.0000 Ca++ + 2.0000 HCO3- - log_k 2.5843 - -delta_H 0 # Not possible to calculate enthalpy of reaction Alstonite + BaCa(CO3)2 + 2 H+ = Ba+2 + Ca+2 + 2 HCO3- + log_k 2.5843 + -delta_H 0 # Not possible to calculate enthalpy of reaction Alstonite # Enthalpy of formation: 0 kcal/mol Alum-K - KAl(SO4)2:12H2O = + 1.0000 Al+++ + 1.0000 K+ + 2.0000 SO4-- + 12.0000 H2O - log_k -4.8818 - -delta_H 14.4139 kJ/mol # Calculated enthalpy of reaction Alum-K + KAl(SO4)2:12H2O = Al+3 + K+ + 2 SO4-2 + 12 H2O + log_k -4.8818 + -delta_H 14.4139 kJ/mol # Calculated enthalpy of reaction Alum-K # Enthalpy of formation: -1447 kcal/mol - -analytic -8.8025e+002 -2.5706e-001 2.2399e+004 3.5434e+002 3.4978e+002 + -analytic -8.8025e+2 -2.5706e-1 2.2399e+4 3.5434e+2 3.4978e+2 # -Range: 0-300 Alunite - KAl3(OH)6(SO4)2 +6.0000 H+ = + 1.0000 K+ + 2.0000 SO4-- + 3.0000 Al+++ + 6.0000 H2O - log_k -0.3479 - -delta_H -231.856 kJ/mol # Calculated enthalpy of reaction Alunite + KAl3(OH)6(SO4)2 + 6 H+ = K+ + 2 SO4-2 + 3 Al+3 + 6 H2O + log_k -0.3479 + -delta_H -231.856 kJ/mol # Calculated enthalpy of reaction Alunite # Enthalpy of formation: -1235.6 kcal/mol - -analytic -6.8581e+002 -2.2455e-001 2.6886e+004 2.6758e+002 4.1973e+002 + -analytic -6.8581e+2 -2.2455e-1 2.6886e+4 2.6758e+2 4.1973e+2 # -Range: 0-300 Am - Am +3.0000 H+ +0.7500 O2 = + 1.0000 Am+++ + 1.5000 H2O - log_k 169.3900 - -delta_H -1036.36 kJ/mol # Calculated enthalpy of reaction Am + Am + 3 H+ + 0.75 O2 = Am+3 + 1.5 H2O + log_k 169.39 + -delta_H -1036.36 kJ/mol # Calculated enthalpy of reaction Am # Enthalpy of formation: 0 kJ/mol - -analytic -6.7924e+000 -8.9873e-003 5.3327e+004 0.0000e+000 0.0000e+000 + -analytic -6.7924e+0 -8.9873e-3 5.3327e+4 0e+0 0e+0 # -Range: 0-300 Am(OH)3 - Am(OH)3 +3.0000 H+ = + 1.0000 Am+++ + 3.0000 H2O - log_k 15.2218 - -delta_H 0 # Not possible to calculate enthalpy of reaction Am(OH)3 + Am(OH)3 + 3 H+ = Am+3 + 3 H2O + log_k 15.2218 + -delta_H 0 # Not possible to calculate enthalpy of reaction Am(OH)3 # Enthalpy of formation: 0 kcal/mol Am(OH)3(am) - Am(OH)3 +3.0000 H+ = + 1.0000 Am+++ + 3.0000 H2O - log_k 17.0217 - -delta_H 0 # Not possible to calculate enthalpy of reaction Am(OH)3(am) + Am(OH)3 + 3 H+ = Am+3 + 3 H2O + log_k 17.0217 + -delta_H 0 # Not possible to calculate enthalpy of reaction Am(OH)3(am) # Enthalpy of formation: 0 kcal/mol Am2(CO3)3 - Am2(CO3)3 +3.0000 H+ = + 2.0000 Am+++ + 3.0000 HCO3- - log_k -2.3699 - -delta_H 0 # Not possible to calculate enthalpy of reaction Am2(CO3)3 + Am2(CO3)3 + 3 H+ = 2 Am+3 + 3 HCO3- + log_k -2.3699 + -delta_H 0 # Not possible to calculate enthalpy of reaction Am2(CO3)3 # Enthalpy of formation: 0 kcal/mol Am2C3 - Am2C3 +4.5000 O2 +3.0000 H+ = + 2.0000 Am+++ + 3.0000 HCO3- - log_k 503.9594 - -delta_H -3097.6 kJ/mol # Calculated enthalpy of reaction Am2C3 + Am2C3 + 4.5 O2 + 3 H+ = 2 Am+3 + 3 HCO3- + log_k 503.9594 + -delta_H -3097.6 kJ/mol # Calculated enthalpy of reaction Am2C3 # Enthalpy of formation: -151 kJ/mol - -analytic 3.3907e+002 -4.2636e-003 1.4463e+005 -1.2891e+002 2.4559e+003 + -analytic 3.3907e+2 -4.2636e-3 1.4463e+5 -1.2891e+2 2.4559e+3 # -Range: 0-200 Am2O3 - Am2O3 +6.0000 H+ = + 2.0000 Am+++ + 3.0000 H2O - log_k 51.7905 - -delta_H -400.515 kJ/mol # Calculated enthalpy of reaction Am2O3 + Am2O3 + 6 H+ = 2 Am+3 + 3 H2O + log_k 51.7905 + -delta_H -400.515 kJ/mol # Calculated enthalpy of reaction Am2O3 # Enthalpy of formation: -1690.4 kJ/mol - -analytic -9.2044e+001 -1.8883e-002 2.3028e+004 2.9192e+001 3.5935e+002 + -analytic -9.2044e+1 -1.8883e-2 2.3028e+4 2.9192e+1 3.5935e+2 # -Range: 0-300 AmBr3 - AmBr3 = + 1.0000 Am+++ + 3.0000 Br- - log_k 21.7826 - -delta_H -171.21 kJ/mol # Calculated enthalpy of reaction AmBr3 + AmBr3 = Am+3 + 3 Br- + log_k 21.7826 + -delta_H -171.21 kJ/mol # Calculated enthalpy of reaction AmBr3 # Enthalpy of formation: -810 kJ/mol - -analytic 1.0121e+001 -3.0622e-002 6.1964e+003 0.0000e+000 0.0000e+000 + -analytic 1.0121e+1 -3.0622e-2 6.1964e+3 0e+0 0e+0 # -Range: 0-200 AmCl3 - AmCl3 = + 1.0000 Am+++ + 3.0000 Cl- - log_k 14.3513 - -delta_H -140.139 kJ/mol # Calculated enthalpy of reaction AmCl3 + AmCl3 = Am+3 + 3 Cl- + log_k 14.3513 + -delta_H -140.139 kJ/mol # Calculated enthalpy of reaction AmCl3 # Enthalpy of formation: -977.8 kJ/mol - -analytic -1.5000e+001 -3.6701e-002 5.2281e+003 9.1942e+000 8.8785e+001 + -analytic -1.5e+1 -3.6701e-2 5.2281e+3 9.1942e+0 8.8785e+1 # -Range: 0-200 AmF3 - AmF3 = + 1.0000 Am+++ + 3.0000 F- - log_k -13.1190 - -delta_H -34.7428 kJ/mol # Calculated enthalpy of reaction AmF3 + AmF3 = Am+3 + 3 F- + log_k -13.119 + -delta_H -34.7428 kJ/mol # Calculated enthalpy of reaction AmF3 # Enthalpy of formation: -1588 kJ/mol - -analytic -4.0514e+001 -3.7312e-002 4.1626e+002 1.4999e+001 7.0827e+000 + -analytic -4.0514e+1 -3.7312e-2 4.1626e+2 1.4999e+1 7.0827e+0 # -Range: 0-200 AmF4 - AmF4 = + 1.0000 Am++++ + 4.0000 F- - log_k -25.1354 - -delta_H -37.3904 kJ/mol # Calculated enthalpy of reaction AmF4 + AmF4 = Am+4 + 4 F- + log_k -25.1354 + -delta_H -37.3904 kJ/mol # Calculated enthalpy of reaction AmF4 # Enthalpy of formation: -1710 kJ/mol - -analytic -4.9592e+001 -4.5210e-002 -9.7251e+001 1.5457e+001 -1.6348e+000 + -analytic -4.9592e+1 -4.521e-2 -9.7251e+1 1.5457e+1 -1.6348e+0 # -Range: 0-200 AmH2 - AmH2 +2.0000 H+ +1.0000 O2 = + 1.0000 Am++ + 2.0000 H2O - log_k 128.4208 - -delta_H -738.376 kJ/mol # Calculated enthalpy of reaction AmH2 + AmH2 + 2 H+ + O2 = Am+2 + 2 H2O + log_k 128.4208 + -delta_H -738.376 kJ/mol # Calculated enthalpy of reaction AmH2 # Enthalpy of formation: -175.8 kJ/mol - -analytic 3.1175e+001 -1.4062e-002 3.6259e+004 -8.1600e+000 5.6578e+002 + -analytic 3.1175e+1 -1.4062e-2 3.6259e+4 -8.16e+0 5.6578e+2 # -Range: 0-300 AmI3 - AmI3 = + 1.0000 Am+++ + 3.0000 I- - log_k 24.7301 - -delta_H -175.407 kJ/mol # Calculated enthalpy of reaction AmI3 + AmI3 = Am+3 + 3 I- + log_k 24.7301 + -delta_H -175.407 kJ/mol # Calculated enthalpy of reaction AmI3 # Enthalpy of formation: -612 kJ/mol - -analytic -1.3886e+001 -3.6651e-002 7.2094e+003 1.0247e+001 1.2243e+002 + -analytic -1.3886e+1 -3.6651e-2 7.2094e+3 1.0247e+1 1.2243e+2 # -Range: 0-200 AmO2 - AmO2 +4.0000 H+ = + 1.0000 Am++++ + 2.0000 H2O - log_k -9.4203 - -delta_H -45.4767 kJ/mol # Calculated enthalpy of reaction AmO2 + AmO2 + 4 H+ = Am+4 + 2 H2O + log_k -9.4203 + -delta_H -45.4767 kJ/mol # Calculated enthalpy of reaction AmO2 # Enthalpy of formation: -932.2 kJ/mol - -analytic -7.4658e+001 -1.1661e-002 4.2059e+003 2.2070e+001 6.5650e+001 + -analytic -7.4658e+1 -1.1661e-2 4.2059e+3 2.207e+1 6.565e+1 # -Range: 0-300 AmOBr - AmOBr +2.0000 H+ = + 1.0000 Am+++ + 1.0000 Br- + 1.0000 H2O - log_k 13.7637 - -delta_H -131.042 kJ/mol # Calculated enthalpy of reaction AmOBr + AmOBr + 2 H+ = Am+3 + Br- + H2O + log_k 13.7637 + -delta_H -131.042 kJ/mol # Calculated enthalpy of reaction AmOBr # Enthalpy of formation: -893 kJ/mol - -analytic -4.4394e+001 -1.7071e-002 7.3438e+003 1.5605e+001 1.2472e+002 + -analytic -4.4394e+1 -1.7071e-2 7.3438e+3 1.5605e+1 1.2472e+2 # -Range: 0-200 AmOCl - AmOCl +2.0000 H+ = + 1.0000 Am+++ + 1.0000 Cl- + 1.0000 H2O - log_k 11.3229 - -delta_H -119.818 kJ/mol # Calculated enthalpy of reaction AmOCl + AmOCl + 2 H+ = Am+3 + Cl- + H2O + log_k 11.3229 + -delta_H -119.818 kJ/mol # Calculated enthalpy of reaction AmOCl # Enthalpy of formation: -949.8 kJ/mol - -analytic -1.2101e+002 -4.1027e-002 8.6801e+003 4.6651e+001 1.3548e+002 + -analytic -1.2101e+2 -4.1027e-2 8.6801e+3 4.6651e+1 1.3548e+2 # -Range: 0-300 AmOHCO3 - AmOHCO3 +2.0000 H+ = + 1.0000 Am+++ + 1.0000 H2O + 1.0000 HCO3- - log_k 3.1519 - -delta_H 0 # Not possible to calculate enthalpy of reaction AmOHCO3 + AmOHCO3 + 2 H+ = Am+3 + H2O + HCO3- + log_k 3.1519 + -delta_H 0 # Not possible to calculate enthalpy of reaction AmOHCO3 # Enthalpy of formation: 0 kcal/mol AmPO4(am) - AmPO4 +1.0000 H+ = + 1.0000 Am+++ + 1.0000 HPO4-- - log_k -12.4682 - -delta_H 0 # Not possible to calculate enthalpy of reaction AmPO4(am) + AmPO4 + H+ = Am+3 + HPO4-2 + log_k -12.4682 + -delta_H 0 # Not possible to calculate enthalpy of reaction AmPO4(am) # Enthalpy of formation: 0 kcal/mol Amesite-14A - Mg4Al4Si2O10(OH)8 +20.0000 H+ = + 2.0000 SiO2 + 4.0000 Al+++ + 4.0000 Mg++ + 14.0000 H2O - log_k 75.4571 - -delta_H -797.098 kJ/mol # Calculated enthalpy of reaction Amesite-14A + Mg4Al4Si2O10(OH)8 + 20 H+ = 2 SiO2 + 4 Al+3 + 4 Mg+2 + 14 H2O + log_k 75.4571 + -delta_H -797.098 kJ/mol # Calculated enthalpy of reaction Amesite-14A # Enthalpy of formation: -2145.67 kcal/mol - -analytic -5.4326e+002 -1.4144e-001 5.4150e+004 1.9361e+002 8.4512e+002 + -analytic -5.4326e+2 -1.4144e-1 5.415e+4 1.9361e+2 8.4512e+2 # -Range: 0-300 Analcime - Na.96Al.96Si2.04O6:H2O +3.8400 H+ = + 0.9600 Al+++ + 0.9600 Na+ + 2.0400 SiO2 + 2.9200 H2O - log_k 6.1396 - -delta_H -75.844 kJ/mol # Calculated enthalpy of reaction Analcime + Na.96Al.96Si2.04O6:H2O + 3.84 H+ = 0.96 Al+3 + 0.96 Na+ + 2.04 SiO2 + 2.92 H2O + log_k 6.1396 + -delta_H -75.844 kJ/mol # Calculated enthalpy of reaction Analcime # Enthalpy of formation: -3296.86 kJ/mol - -analytic -6.8694e+000 6.6052e-003 9.8260e+003 -4.8540e+000 -8.8780e+005 + -analytic -6.8694e+0 6.6052e-3 9.826e+3 -4.854e+0 -8.878e+5 # -Range: 0-300 Analcime-dehy - Na.96Al.96Si2.04O6 +3.8400 H+ = + 0.9600 Al+++ + 0.9600 Na+ + 1.9200 H2O + 2.0400 SiO2 - log_k 12.5023 - -delta_H -116.641 kJ/mol # Calculated enthalpy of reaction Analcime-dehy + Na.96Al.96Si2.04O6 + 3.84 H+ = 0.96 Al+3 + 0.96 Na+ + 1.92 H2O + 2.04 SiO2 + log_k 12.5023 + -delta_H -116.641 kJ/mol # Calculated enthalpy of reaction Analcime-dehy # Enthalpy of formation: -2970.23 kJ/mol - -analytic -7.1134e+000 5.6181e-003 1.2185e+004 -5.0295e+000 -9.3890e+005 + -analytic -7.1134e+0 5.6181e-3 1.2185e+4 -5.0295e+0 -9.389e+5 # -Range: 0-300 Anatase - TiO2 +2.0000 H2O = + 1.0000 Ti(OH)4 - log_k -8.5586 - -delta_H 0 # Not possible to calculate enthalpy of reaction Anatase + TiO2 + 2 H2O = Ti(OH)4 + log_k -8.5586 + -delta_H 0 # Not possible to calculate enthalpy of reaction Anatase # Enthalpy of formation: -939.942 kJ/mol Andalusite - Al2SiO5 +6.0000 H+ = + 1.0000 SiO2 + 2.0000 Al+++ + 3.0000 H2O - log_k 15.9445 - -delta_H -235.233 kJ/mol # Calculated enthalpy of reaction Andalusite + Al2SiO5 + 6 H+ = SiO2 + 2 Al+3 + 3 H2O + log_k 15.9445 + -delta_H -235.233 kJ/mol # Calculated enthalpy of reaction Andalusite # Enthalpy of formation: -615.866 kcal/mol - -analytic -7.1115e+001 -3.2234e-002 1.2308e+004 2.2357e+001 1.9208e+002 + -analytic -7.1115e+1 -3.2234e-2 1.2308e+4 2.2357e+1 1.9208e+2 # -Range: 0-300 Andradite - Ca3Fe2(SiO4)3 +12.0000 H+ = + 2.0000 Fe+++ + 3.0000 Ca++ + 3.0000 SiO2 + 6.0000 H2O - log_k 33.3352 - -delta_H -301.173 kJ/mol # Calculated enthalpy of reaction Andradite + Ca3Fe2(SiO4)3 + 12 H+ = 2 Fe+3 + 3 Ca+2 + 3 SiO2 + 6 H2O + log_k 33.3352 + -delta_H -301.173 kJ/mol # Calculated enthalpy of reaction Andradite # Enthalpy of formation: -1380.35 kcal/mol - -analytic 1.3884e+001 -2.3886e-002 1.5314e+004 -8.1606e+000 -4.2193e+005 + -analytic 1.3884e+1 -2.3886e-2 1.5314e+4 -8.1606e+0 -4.2193e+5 # -Range: 0-300 Anglesite - PbSO4 = + 1.0000 Pb++ + 1.0000 SO4-- - log_k -7.8527 - -delta_H 11.255 kJ/mol # Calculated enthalpy of reaction Anglesite + PbSO4 = Pb+2 + SO4-2 + log_k -7.8527 + -delta_H 11.255 kJ/mol # Calculated enthalpy of reaction Anglesite # Enthalpy of formation: -219.87 kcal/mol - -analytic -1.8583e+002 -7.3849e-002 2.8528e+003 7.6936e+001 4.4570e+001 + -analytic -1.8583e+2 -7.3849e-2 2.8528e+3 7.6936e+1 4.457e+1 # -Range: 0-300 Anhydrite - CaSO4 = + 1.0000 Ca++ + 1.0000 SO4-- - log_k -4.3064 - -delta_H -18.577 kJ/mol # Calculated enthalpy of reaction Anhydrite + CaSO4 = Ca+2 + SO4-2 + log_k -4.3064 + -delta_H -18.577 kJ/mol # Calculated enthalpy of reaction Anhydrite # Enthalpy of formation: -342.76 kcal/mol - -analytic -2.0986e+002 -7.8823e-002 5.0969e+003 8.5642e+001 7.9594e+001 + -analytic -2.0986e+2 -7.8823e-2 5.0969e+3 8.5642e+1 7.9594e+1 # -Range: 0-300 Annite - KFe3AlSi3O10(OH)2 +10.0000 H+ = + 1.0000 Al+++ + 1.0000 K+ + 3.0000 Fe++ + 3.0000 SiO2 + 6.0000 H2O - log_k 29.4693 - -delta_H -259.964 kJ/mol # Calculated enthalpy of reaction Annite + KFe3AlSi3O10(OH)2 + 10 H+ = Al+3 + K+ + 3 Fe+2 + 3 SiO2 + 6 H2O + log_k 29.4693 + -delta_H -259.964 kJ/mol # Calculated enthalpy of reaction Annite # Enthalpy of formation: -1232.19 kcal/mol - -analytic -4.0186e+001 -1.4238e-002 1.8929e+004 7.9859e+000 -8.4343e+005 + -analytic -4.0186e+1 -1.4238e-2 1.8929e+4 7.9859e+0 -8.4343e+5 # -Range: 0-300 Anorthite - CaAl2(SiO4)2 +8.0000 H+ = + 1.0000 Ca++ + 2.0000 Al+++ + 2.0000 SiO2 + 4.0000 H2O - log_k 26.5780 - -delta_H -303.039 kJ/mol # Calculated enthalpy of reaction Anorthite + CaAl2(SiO4)2 + 8 H+ = Ca+2 + 2 Al+3 + 2 SiO2 + 4 H2O + log_k 26.578 + -delta_H -303.039 kJ/mol # Calculated enthalpy of reaction Anorthite # Enthalpy of formation: -1007.55 kcal/mol - -analytic 3.9717e-001 -1.8751e-002 1.4897e+004 -6.3078e+000 -2.3885e+005 + -analytic 3.9717e-1 -1.8751e-2 1.4897e+4 -6.3078e+0 -2.3885e+5 # -Range: 0-300 Antarcticite - CaCl2:6H2O = + 1.0000 Ca++ + 2.0000 Cl- + 6.0000 H2O - log_k 4.0933 - -delta_H 0 # Not possible to calculate enthalpy of reaction Antarcticite + CaCl2:6H2O = Ca+2 + 2 Cl- + 6 H2O + log_k 4.0933 + -delta_H 0 # Not possible to calculate enthalpy of reaction Antarcticite # Enthalpy of formation: 0 kcal/mol Anthophyllite - Mg7Si8O22(OH)2 +14.0000 H+ = + 7.0000 Mg++ + 8.0000 H2O + 8.0000 SiO2 - log_k 66.7965 - -delta_H -483.486 kJ/mol # Calculated enthalpy of reaction Anthophyllite + Mg7Si8O22(OH)2 + 14 H+ = 7 Mg+2 + 8 H2O + 8 SiO2 + log_k 66.7965 + -delta_H -483.486 kJ/mol # Calculated enthalpy of reaction Anthophyllite # Enthalpy of formation: -2888.75 kcal/mol - -analytic -1.2865e+002 1.9705e-002 5.4853e+004 1.9444e+001 -3.8080e+006 + -analytic -1.2865e+2 1.9705e-2 5.4853e+4 1.9444e+1 -3.808e+6 # -Range: 0-300 Antigorite # Mg48Si24O85(OH)62 +96.0000 H+ = + 34.0000 SiO2 + 48.0000 Mg++ + 79.0000 H2O - Mg48Si34O85(OH)62 +96.0000 H+ = + 34.0000 SiO2 + 48.0000 Mg++ + 79.0000 H2O - log_k 477.1943 - -delta_H -3364.43 kJ/mol # Calculated enthalpy of reaction Antigorite + Mg48Si34O85(OH)62 + 96 H+ = 34 SiO2 + 48 Mg+2 + 79 H2O + log_k 477.1943 + -delta_H -3364.43 kJ/mol # Calculated enthalpy of reaction Antigorite # Enthalpy of formation: -17070.9 kcal/mol - -analytic -8.1630e+002 -6.7780e-002 2.5998e+005 2.2029e+002 -9.3275e+006 + -analytic -8.163e+2 -6.778e-2 2.5998e+5 2.2029e+2 -9.3275e+6 # -Range: 0-300 Antlerite - Cu3(SO4)(OH)4 +4.0000 H+ = + 1.0000 SO4-- + 3.0000 Cu++ + 4.0000 H2O - log_k 8.7302 - -delta_H 0 # Not possible to calculate enthalpy of reaction Antlerite + Cu3(SO4)(OH)4 + 4 H+ = SO4-2 + 3 Cu+2 + 4 H2O + log_k 8.7302 + -delta_H 0 # Not possible to calculate enthalpy of reaction Antlerite # Enthalpy of formation: 0 kcal/mol Aphthitalite - NaK3(SO4)2 = + 1.0000 Na+ + 2.0000 SO4-- + 3.0000 K+ - log_k -3.8878 - -delta_H 0 # Not possible to calculate enthalpy of reaction Aphthitalite + NaK3(SO4)2 = Na+ + 2 SO4-2 + 3 K+ + log_k -3.8878 + -delta_H 0 # Not possible to calculate enthalpy of reaction Aphthitalite # Enthalpy of formation: 0 kcal/mol Aragonite - CaCO3 +1.0000 H+ = + 1.0000 Ca++ + 1.0000 HCO3- - log_k 1.9931 - -delta_H -25.8027 kJ/mol # Calculated enthalpy of reaction Aragonite + CaCO3 + H+ = Ca+2 + HCO3- + log_k 1.9931 + -delta_H -25.8027 kJ/mol # Calculated enthalpy of reaction Aragonite # Enthalpy of formation: -288.531 kcal/mol - -analytic -1.4934e+002 -4.8043e-002 4.9089e+003 6.0284e+001 7.6644e+001 + -analytic -1.4934e+2 -4.8043e-2 4.9089e+3 6.0284e+1 7.6644e+1 # -Range: 0-300 Arcanite - K2SO4 = + 1.0000 SO4-- + 2.0000 K+ - log_k -1.8008 - -delta_H 23.836 kJ/mol # Calculated enthalpy of reaction Arcanite + K2SO4 = SO4-2 + 2 K+ + log_k -1.8008 + -delta_H 23.836 kJ/mol # Calculated enthalpy of reaction Arcanite # Enthalpy of formation: -1437.78 kJ/mol - -analytic -1.6428e+002 -6.7762e-002 1.9879e+003 7.1116e+001 3.1067e+001 + -analytic -1.6428e+2 -6.7762e-2 1.9879e+3 7.1116e+1 3.1067e+1 # -Range: 0-300 Arsenolite - As2O3 +3.0000 H2O = + 2.0000 H+ + 2.0000 H2AsO3- - log_k -19.8365 - -delta_H 84.5449 kJ/mol # Calculated enthalpy of reaction Arsenolite + As2O3 + 3 H2O = 2 H+ + 2 H2AsO3- + log_k -19.8365 + -delta_H 84.5449 kJ/mol # Calculated enthalpy of reaction Arsenolite # Enthalpy of formation: -656.619 kJ/mol - -analytic 5.1917e+000 -1.9397e-002 -6.0894e+003 4.7458e-001 -1.0341e+002 + -analytic 5.1917e+0 -1.9397e-2 -6.0894e+3 4.7458e-1 -1.0341e+2 # -Range: 0-200 Arsenopyrite - FeAsS +1.5000 H2O +0.5000 H+ = + 0.5000 AsH3 + 0.5000 H2AsO3- + 1.0000 Fe++ + 1.0000 HS- - log_k -14.4453 - -delta_H 28.0187 kJ/mol # Calculated enthalpy of reaction Arsenopyrite + FeAsS + 1.5 H2O + 0.5 H+ = 0.5 AsH3 + 0.5 H2AsO3- + Fe+2 + HS- + log_k -14.4453 + -delta_H 28.0187 kJ/mol # Calculated enthalpy of reaction Arsenopyrite # Enthalpy of formation: -42.079 kJ/mol Artinite - Mg2CO3(OH)2:3H2O +3.0000 H+ = + 1.0000 HCO3- + 2.0000 Mg++ + 5.0000 H2O - log_k 19.6560 - -delta_H -130.432 kJ/mol # Calculated enthalpy of reaction Artinite + Mg2CO3(OH)2:3H2O + 3 H+ = HCO3- + 2 Mg+2 + 5 H2O + log_k 19.656 + -delta_H -130.432 kJ/mol # Calculated enthalpy of reaction Artinite # Enthalpy of formation: -698.043 kcal/mol - -analytic -2.8614e+002 -6.7344e-002 1.5230e+004 1.1104e+002 2.3773e+002 + -analytic -2.8614e+2 -6.7344e-2 1.523e+4 1.1104e+2 2.3773e+2 # -Range: 0-300 As - As +1.5000 H2O +0.7500 O2 = + 1.0000 H+ + 1.0000 H2AsO3- - log_k 42.7079 - -delta_H -276.937 kJ/mol # Calculated enthalpy of reaction As + As + 1.5 H2O + 0.75 O2 = H+ + H2AsO3- + log_k 42.7079 + -delta_H -276.937 kJ/mol # Calculated enthalpy of reaction As # Enthalpy of formation: 0 kJ/mol - -analytic -3.4700e+001 -3.1772e-002 1.3788e+004 1.6411e+001 2.1517e+002 + -analytic -3.47e+1 -3.1772e-2 1.3788e+4 1.6411e+1 2.1517e+2 # -Range: 0-300 As2O5 - As2O5 +3.0000 H2O = + 2.0000 H+ + 2.0000 H2AsO4- - log_k 2.1601 - -delta_H -36.7345 kJ/mol # Calculated enthalpy of reaction As2O5 + As2O5 + 3 H2O = 2 H+ + 2 H2AsO4- + log_k 2.1601 + -delta_H -36.7345 kJ/mol # Calculated enthalpy of reaction As2O5 # Enthalpy of formation: -924.87 kJ/mol - -analytic -1.4215e+002 -6.3459e-002 4.1222e+003 6.0369e+001 6.4365e+001 + -analytic -1.4215e+2 -6.3459e-2 4.1222e+3 6.0369e+1 6.4365e+1 # -Range: 0-300 As4O6(cubi) - As4O6 +6.0000 H2O = + 4.0000 H+ + 4.0000 H2AsO3- - log_k -39.7636 - -delta_H 169.792 kJ/mol # Calculated enthalpy of reaction As4O6(cubi) + As4O6 + 6 H2O = 4 H+ + 4 H2AsO3- + log_k -39.7636 + -delta_H 169.792 kJ/mol # Calculated enthalpy of reaction As4O6(cubi) # Enthalpy of formation: -1313.94 kJ/mol - -analytic -2.6300e+002 -1.1822e-001 -4.9004e+003 1.1108e+002 -7.6389e+001 + -analytic -2.63e+2 -1.1822e-1 -4.9004e+3 1.1108e+2 -7.6389e+1 # -Range: 0-300 As4O6(mono) - As4O6 +6.0000 H2O = + 4.0000 H+ + 4.0000 H2AsO3- - log_k -40.0375 - -delta_H 165.452 kJ/mol # Calculated enthalpy of reaction As4O6(mono) + As4O6 + 6 H2O = 4 H+ + 4 H2AsO3- + log_k -40.0375 + -delta_H 165.452 kJ/mol # Calculated enthalpy of reaction As4O6(mono) # Enthalpy of formation: -1309.6 kJ/mol - -analytic 9.2518e+000 -3.8823e-002 -1.1985e+004 9.9966e-001 -2.0352e+002 + -analytic 9.2518e+0 -3.8823e-2 -1.1985e+4 9.9966e-1 -2.0352e+2 # -Range: 0-200 Atacamite - Cu4Cl2(OH)6 +6.0000 H+ = + 2.0000 Cl- + 4.0000 Cu++ + 6.0000 H2O - log_k 14.2836 - -delta_H -132.001 kJ/mol # Calculated enthalpy of reaction Atacamite + Cu4Cl2(OH)6 + 6 H+ = 2 Cl- + 4 Cu+2 + 6 H2O + log_k 14.2836 + -delta_H -132.001 kJ/mol # Calculated enthalpy of reaction Atacamite # Enthalpy of formation: -1654.43 kJ/mol - -analytic -2.6623e+002 -4.8121e-002 1.5315e+004 9.8395e+001 2.6016e+002 + -analytic -2.6623e+2 -4.8121e-2 1.5315e+4 9.8395e+1 2.6016e+2 # -Range: 0-200 Au - Au +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Au+ - log_k -7.0864 - -delta_H 59.189 kJ/mol # Calculated enthalpy of reaction Au + Au + H+ + 0.25 O2 = 0.5 H2O + Au+ + log_k -7.0864 + -delta_H 59.189 kJ/mol # Calculated enthalpy of reaction Au # Enthalpy of formation: 0 kcal/mol - -analytic -7.6610e-001 -2.8520e-003 -3.0861e+003 1.9705e+000 -4.8156e+001 + -analytic -7.661e-1 -2.852e-3 -3.0861e+3 1.9705e+0 -4.8156e+1 # -Range: 0-300 Autunite-H - H2(UO2)2(PO4)2 = + 2.0000 HPO4-- + 2.0000 UO2++ - log_k -25.3372 - -delta_H -31.8599 kJ/mol # Calculated enthalpy of reaction Autunite-H + H2(UO2)2(PO4)2 = 2 HPO4-2 + 2 UO2+2 + log_k -25.3372 + -delta_H -31.8599 kJ/mol # Calculated enthalpy of reaction Autunite-H # Enthalpy of formation: -4590.3 kJ/mol - -analytic -3.2179e+001 -3.8038e-002 -6.8629e+002 8.2724e+000 -1.1644e+001 + -analytic -3.2179e+1 -3.8038e-2 -6.8629e+2 8.2724e+0 -1.1644e+1 # -Range: 0-200 Azurite - Cu3(CO3)2(OH)2 +4.0000 H+ = + 2.0000 H2O + 2.0000 HCO3- + 3.0000 Cu++ - log_k 9.1607 - -delta_H -122.298 kJ/mol # Calculated enthalpy of reaction Azurite + Cu3(CO3)2(OH)2 + 4 H+ = 2 H2O + 2 HCO3- + 3 Cu+2 + log_k 9.1607 + -delta_H -122.298 kJ/mol # Calculated enthalpy of reaction Azurite # Enthalpy of formation: -390.1 kcal/mol - -analytic -4.4042e+002 -1.1934e-001 1.8053e+004 1.7158e+002 2.8182e+002 + -analytic -4.4042e+2 -1.1934e-1 1.8053e+4 1.7158e+2 2.8182e+2 # -Range: 0-300 B - B +1.5000 H2O +0.7500 O2 = + 1.0000 B(OH)3 - log_k 109.5654 - -delta_H -636.677 kJ/mol # Calculated enthalpy of reaction B + B + 1.5 H2O + 0.75 O2 = B(OH)3 + log_k 109.5654 + -delta_H -636.677 kJ/mol # Calculated enthalpy of reaction B # Enthalpy of formation: 0 kJ/mol - -analytic 8.0471e+001 1.2577e-003 2.9653e+004 -2.8593e+001 4.6268e+002 + -analytic 8.0471e+1 1.2577e-3 2.9653e+4 -2.8593e+1 4.6268e+2 # -Range: 0-300 B2O3 - B2O3 +3.0000 H2O = + 2.0000 B(OH)3 - log_k 5.5464 - -delta_H -18.0548 kJ/mol # Calculated enthalpy of reaction B2O3 + B2O3 + 3 H2O = 2 B(OH)3 + log_k 5.5464 + -delta_H -18.0548 kJ/mol # Calculated enthalpy of reaction B2O3 # Enthalpy of formation: -1273.5 kJ/mol - -analytic 9.0905e+001 5.5365e-003 -2.6629e+003 -3.1553e+001 -4.1578e+001 + -analytic 9.0905e+1 5.5365e-3 -2.6629e+3 -3.1553e+1 -4.1578e+1 # -Range: 0-300 Ba - Ba +2.0000 H+ +0.5000 O2 = + 1.0000 Ba++ + 1.0000 H2O - log_k 141.2465 - -delta_H -817.416 kJ/mol # Calculated enthalpy of reaction Ba + Ba + 2 H+ + 0.5 O2 = Ba+2 + H2O + log_k 141.2465 + -delta_H -817.416 kJ/mol # Calculated enthalpy of reaction Ba # Enthalpy of formation: 0 kJ/mol - -analytic -2.5033e+001 -1.3917e-002 4.2849e+004 1.0786e+001 6.6863e+002 + -analytic -2.5033e+1 -1.3917e-2 4.2849e+4 1.0786e+1 6.6863e+2 # -Range: 0-300 Ba(OH)2:8H2O - Ba(OH)2:8H2O +2.0000 H+ = + 1.0000 Ba++ + 10.0000 H2O - log_k 24.4911 - -delta_H -55.4363 kJ/mol # Calculated enthalpy of reaction Ba(OH)2:8H2O + Ba(OH)2:8H2O + 2 H+ = Ba+2 + 10 H2O + log_k 24.4911 + -delta_H -55.4363 kJ/mol # Calculated enthalpy of reaction Ba(OH)2:8H2O # Enthalpy of formation: -3340.59 kJ/mol - -analytic -2.3888e+002 -1.5791e-003 1.4097e+004 8.7518e+001 2.3947e+002 + -analytic -2.3888e+2 -1.5791e-3 1.4097e+4 8.7518e+1 2.3947e+2 # -Range: 0-200 Ba2Si3O8 - Ba2Si3O8 +4.0000 H+ = + 2.0000 Ba++ + 2.0000 H2O + 3.0000 SiO2 - log_k 23.3284 - -delta_H -95.3325 kJ/mol # Calculated enthalpy of reaction Ba2Si3O8 + Ba2Si3O8 + 4 H+ = 2 Ba+2 + 2 H2O + 3 SiO2 + log_k 23.3284 + -delta_H -95.3325 kJ/mol # Calculated enthalpy of reaction Ba2Si3O8 # Enthalpy of formation: -4184.73 kJ/mol - -analytic -8.7226e+001 9.3125e-003 2.3147e+004 2.2012e+001 -2.1714e+006 + -analytic -8.7226e+1 9.3125e-3 2.3147e+4 2.2012e+1 -2.1714e+6 # -Range: 0-300 Ba2SiO4 - Ba2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 Ba++ + 2.0000 H2O - log_k 44.5930 - -delta_H -237.206 kJ/mol # Calculated enthalpy of reaction Ba2SiO4 + Ba2SiO4 + 4 H+ = SiO2 + 2 Ba+2 + 2 H2O + log_k 44.593 + -delta_H -237.206 kJ/mol # Calculated enthalpy of reaction Ba2SiO4 # Enthalpy of formation: -2287.46 kJ/mol - -analytic -7.0350e+000 -5.1744e-003 1.4786e+004 3.1091e+000 -3.6972e+005 + -analytic -7.035e+0 -5.1744e-3 1.4786e+4 3.1091e+0 -3.6972e+5 # -Range: 0-300 Ba2U2O7 - Ba2U2O7 +6.0000 H+ = + 2.0000 Ba++ + 2.0000 UO2+ + 3.0000 H2O - log_k 36.4635 - -delta_H -243.057 kJ/mol # Calculated enthalpy of reaction Ba2U2O7 + Ba2U2O7 + 6 H+ = 2 Ba+2 + 2 UO2+ + 3 H2O + log_k 36.4635 + -delta_H -243.057 kJ/mol # Calculated enthalpy of reaction Ba2U2O7 # Enthalpy of formation: -3740 kJ/mol - -analytic -9.2562e+001 5.3866e-003 1.6852e+004 2.8647e+001 2.8621e+002 + -analytic -9.2562e+1 5.3866e-3 1.6852e+4 2.8647e+1 2.8621e+2 # -Range: 0-200 Ba3UO6 - Ba3UO6 +8.0000 H+ = + 1.0000 UO2++ + 3.0000 Ba++ + 4.0000 H2O - log_k 94.3709 - -delta_H -564.885 kJ/mol # Calculated enthalpy of reaction Ba3UO6 + Ba3UO6 + 8 H+ = UO2+2 + 3 Ba+2 + 4 H2O + log_k 94.3709 + -delta_H -564.885 kJ/mol # Calculated enthalpy of reaction Ba3UO6 # Enthalpy of formation: -3210.4 kJ/mol - -analytic -1.3001e+002 -1.7395e-002 3.3977e+004 4.6715e+001 5.7703e+002 + -analytic -1.3001e+2 -1.7395e-2 3.3977e+4 4.6715e+1 5.7703e+2 # -Range: 0-200 BaBr2 - BaBr2 = + 1.0000 Ba++ + 2.0000 Br- - log_k 5.6226 - -delta_H -23.3887 kJ/mol # Calculated enthalpy of reaction BaBr2 + BaBr2 = Ba+2 + 2 Br- + log_k 5.6226 + -delta_H -23.3887 kJ/mol # Calculated enthalpy of reaction BaBr2 # Enthalpy of formation: -757.262 kJ/mol - -analytic -1.7689e+002 -7.1918e-002 4.7187e+003 7.6010e+001 7.3683e+001 + -analytic -1.7689e+2 -7.1918e-2 4.7187e+3 7.601e+1 7.3683e+1 # -Range: 0-300 BaBr2:2H2O - BaBr2:2H2O = + 1.0000 Ba++ + 2.0000 Br- + 2.0000 H2O - log_k 2.2523 - -delta_H 13.7736 kJ/mol # Calculated enthalpy of reaction BaBr2:2H2O + BaBr2:2H2O = Ba+2 + 2 Br- + 2 H2O + log_k 2.2523 + -delta_H 13.7736 kJ/mol # Calculated enthalpy of reaction BaBr2:2H2O # Enthalpy of formation: -1366.1 kJ/mol - -analytic -1.5506e+001 -1.6281e-002 -8.5727e+002 1.0296e+001 -1.4552e+001 + -analytic -1.5506e+1 -1.6281e-2 -8.5727e+2 1.0296e+1 -1.4552e+1 # -Range: 0-200 BaCl2 - BaCl2 = + 1.0000 Ba++ + 2.0000 Cl- - log_k 2.2707 - -delta_H -13.1563 kJ/mol # Calculated enthalpy of reaction BaCl2 + BaCl2 = Ba+2 + 2 Cl- + log_k 2.2707 + -delta_H -13.1563 kJ/mol # Calculated enthalpy of reaction BaCl2 # Enthalpy of formation: -858.647 kJ/mol - -analytic -2.0393e+002 -7.8925e-002 4.8846e+003 8.6204e+001 7.6280e+001 + -analytic -2.0393e+2 -7.8925e-2 4.8846e+3 8.6204e+1 7.628e+1 # -Range: 0-300 BaCl2:2H2O - BaCl2:2H2O = + 1.0000 Ba++ + 2.0000 Cl- + 2.0000 H2O - log_k 0.2459 - -delta_H 16.558 kJ/mol # Calculated enthalpy of reaction BaCl2:2H2O + BaCl2:2H2O = Ba+2 + 2 Cl- + 2 H2O + log_k 0.2459 + -delta_H 16.558 kJ/mol # Calculated enthalpy of reaction BaCl2:2H2O # Enthalpy of formation: -1460.04 kJ/mol - -analytic -2.0350e+002 -7.3577e-002 3.7914e+003 8.6051e+001 5.9221e+001 + -analytic -2.035e+2 -7.3577e-2 3.7914e+3 8.6051e+1 5.9221e+1 # -Range: 0-300 BaCl2:H2O - BaCl2:H2O = + 1.0000 Ba++ + 1.0000 H2O + 2.0000 Cl- - log_k 0.8606 - -delta_H 2.89433 kJ/mol # Calculated enthalpy of reaction BaCl2:H2O + BaCl2:H2O = Ba+2 + H2O + 2 Cl- + log_k 0.8606 + -delta_H 2.89433 kJ/mol # Calculated enthalpy of reaction BaCl2:H2O # Enthalpy of formation: -1160.54 kJ/mol - -analytic -1.9572e+002 -7.3938e-002 4.0553e+003 8.2842e+001 6.3336e+001 + -analytic -1.9572e+2 -7.3938e-2 4.0553e+3 8.2842e+1 6.3336e+1 # -Range: 0-300 BaCrO4 - BaCrO4 = + 1.0000 Ba++ + 1.0000 CrO4-- - log_k -9.9322 - -delta_H 25.9115 kJ/mol # Calculated enthalpy of reaction BaCrO4 + BaCrO4 = Ba+2 + CrO4-2 + log_k -9.9322 + -delta_H 25.9115 kJ/mol # Calculated enthalpy of reaction BaCrO4 # Enthalpy of formation: -345.293 kcal/mol - -analytic 2.3142e+001 -1.6617e-002 -3.6883e+003 -6.3687e+000 -6.2640e+001 + -analytic 2.3142e+1 -1.6617e-2 -3.6883e+3 -6.3687e+0 -6.264e+1 # -Range: 0-200 BaHPO4 - BaHPO4 = + 1.0000 Ba++ + 1.0000 HPO4-- - log_k -7.4000 - -delta_H 0 # Not possible to calculate enthalpy of reaction BaHPO4 + BaHPO4 = Ba+2 + HPO4-2 + log_k -7.4 + -delta_H 0 # Not possible to calculate enthalpy of reaction BaHPO4 # Enthalpy of formation: 0 kcal/mol BaI2 - BaI2 = + 1.0000 Ba++ + 2.0000 I- - log_k 11.0759 - -delta_H -46.0408 kJ/mol # Calculated enthalpy of reaction BaI2 + BaI2 = Ba+2 + 2 I- + log_k 11.0759 + -delta_H -46.0408 kJ/mol # Calculated enthalpy of reaction BaI2 # Enthalpy of formation: -605.408 kJ/mol - -analytic -1.7511e+002 -7.2206e-002 5.8696e+003 7.5974e+001 9.1641e+001 + -analytic -1.7511e+2 -7.2206e-2 5.8696e+3 7.5974e+1 9.1641e+1 # -Range: 0-300 BaMnO4 - BaMnO4 = + 1.0000 Ba++ + 1.0000 MnO4-- - log_k -10.0900 - -delta_H 0 # Not possible to calculate enthalpy of reaction BaMnO4 + BaMnO4 = Ba+2 + MnO4-2 + log_k -10.09 + -delta_H 0 # Not possible to calculate enthalpy of reaction BaMnO4 # Enthalpy of formation: 0 kcal/mol BaO - BaO +2.0000 H+ = + 1.0000 Ba++ + 1.0000 H2O - log_k 47.8036 - -delta_H -270.184 kJ/mol # Calculated enthalpy of reaction BaO + BaO + 2 H+ = Ba+2 + H2O + log_k 47.8036 + -delta_H -270.184 kJ/mol # Calculated enthalpy of reaction BaO # Enthalpy of formation: -553.298 kJ/mol - -analytic -7.3273e+001 -1.7149e-002 1.6811e+004 2.8560e+001 -7.7510e+004 + -analytic -7.3273e+1 -1.7149e-2 1.6811e+4 2.856e+1 -7.751e+4 # -Range: 0-300 BaS - BaS +1.0000 H+ = + 1.0000 Ba++ + 1.0000 HS- - log_k 16.2606 - -delta_H -92.9004 kJ/mol # Calculated enthalpy of reaction BaS + BaS + H+ = Ba+2 + HS- + log_k 16.2606 + -delta_H -92.9004 kJ/mol # Calculated enthalpy of reaction BaS # Enthalpy of formation: -460.852 kJ/mol - -analytic -1.1819e+002 -4.3420e-002 7.4296e+003 4.9489e+001 1.1597e+002 + -analytic -1.1819e+2 -4.342e-2 7.4296e+3 4.9489e+1 1.1597e+2 # -Range: 0-300 BaSeO3 - BaSeO3 = + 1.0000 Ba++ + 1.0000 SeO3-- - log_k -6.5615 - -delta_H -5.5658 kJ/mol # Calculated enthalpy of reaction BaSeO3 + BaSeO3 = Ba+2 + SeO3-2 + log_k -6.5615 + -delta_H -5.5658 kJ/mol # Calculated enthalpy of reaction BaSeO3 # Enthalpy of formation: -1041.27 kJ/mol - -analytic 2.9742e+001 -1.7073e-002 -2.4532e+003 -9.2936e+000 -4.1669e+001 + -analytic 2.9742e+1 -1.7073e-2 -2.4532e+3 -9.2936e+0 -4.1669e+1 # -Range: 0-200 BaSeO4 - BaSeO4 = + 1.0000 Ba++ + 1.0000 SeO4-- - log_k -7.4468 - -delta_H 8.9782 kJ/mol # Calculated enthalpy of reaction BaSeO4 + BaSeO4 = Ba+2 + SeO4-2 + log_k -7.4468 + -delta_H 8.9782 kJ/mol # Calculated enthalpy of reaction BaSeO4 # Enthalpy of formation: -1145.77 kJ/mol - -analytic 2.4274e+001 -1.6289e-002 -2.8520e+003 -6.9949e+000 -4.8439e+001 + -analytic 2.4274e+1 -1.6289e-2 -2.852e+3 -6.9949e+0 -4.8439e+1 # -Range: 0-200 BaSiF6 - BaSiF6 +2.0000 H2O = + 1.0000 Ba++ + 1.0000 SiO2 + 4.0000 H+ + 6.0000 F- - log_k -32.1771 - -delta_H 95.2555 kJ/mol # Calculated enthalpy of reaction BaSiF6 + BaSiF6 + 2 H2O = Ba+2 + SiO2 + 4 H+ + 6 F- + log_k -32.1771 + -delta_H 95.2555 kJ/mol # Calculated enthalpy of reaction BaSiF6 # Enthalpy of formation: -2951.01 kJ/mol - -analytic -6.4766e+000 -3.8410e-002 0.0000e+000 0.0000e+000 -1.2701e+006 + -analytic -6.4766e+0 -3.841e-2 0e+0 0e+0 -1.2701e+6 # -Range: 0-200 BaU2O7 - BaU2O7 +6.0000 H+ = + 1.0000 Ba++ + 2.0000 UO2++ + 3.0000 H2O - log_k 21.9576 - -delta_H -195.959 kJ/mol # Calculated enthalpy of reaction BaU2O7 + BaU2O7 + 6 H+ = Ba+2 + 2 UO2+2 + 3 H2O + log_k 21.9576 + -delta_H -195.959 kJ/mol # Calculated enthalpy of reaction BaU2O7 # Enthalpy of formation: -3237.2 kJ/mol - -analytic -1.2254e+002 -1.0941e-002 1.4452e+004 4.0125e+001 2.4546e+002 + -analytic -1.2254e+2 -1.0941e-2 1.4452e+4 4.0125e+1 2.4546e+2 # -Range: 0-200 BaUO4 - BaUO4 +4.0000 H+ = + 1.0000 Ba++ + 1.0000 UO2++ + 2.0000 H2O - log_k 18.2007 - -delta_H -134.521 kJ/mol # Calculated enthalpy of reaction BaUO4 + BaUO4 + 4 H+ = Ba+2 + UO2+2 + 2 H2O + log_k 18.2007 + -delta_H -134.521 kJ/mol # Calculated enthalpy of reaction BaUO4 # Enthalpy of formation: -1993.8 kJ/mol - -analytic -6.7113e+001 -1.6340e-002 8.7592e+003 2.4571e+001 1.3670e+002 + -analytic -6.7113e+1 -1.634e-2 8.7592e+3 2.4571e+1 1.367e+2 # -Range: 0-300 BaZrO3 - BaZrO3 +4.0000 H+ = + 1.0000 Ba++ + 1.0000 H2O + 1.0000 Zr(OH)2++ - log_k -94.4716 - -delta_H 505.159 kJ/mol # Calculated enthalpy of reaction BaZrO3 + BaZrO3 + 4 H+ = Ba+2 + H2O + Zr(OH)2+2 + log_k -94.4716 + -delta_H 505.159 kJ/mol # Calculated enthalpy of reaction BaZrO3 # Enthalpy of formation: -578.27 kcal/mol - -analytic -5.3606e+001 -1.0096e-002 -2.4894e+004 1.8446e+001 -4.2271e+002 + -analytic -5.3606e+1 -1.0096e-2 -2.4894e+4 1.8446e+1 -4.2271e+2 # -Range: 0-200 Baddeleyite - ZrO2 +2.0000 H+ = + 1.0000 Zr(OH)2++ - log_k -7.9405 - -delta_H 9.72007 kJ/mol # Calculated enthalpy of reaction Baddeleyite + ZrO2 + 2 H+ = Zr(OH)2+2 + log_k -7.9405 + -delta_H 9.72007 kJ/mol # Calculated enthalpy of reaction Baddeleyite # Enthalpy of formation: -1100.56 kJ/mol - -analytic -2.5188e-001 -4.6374e-003 -1.0635e+003 -1.1055e+000 -1.6595e+001 + -analytic -2.5188e-1 -4.6374e-3 -1.0635e+3 -1.1055e+0 -1.6595e+1 # -Range: 0-300 Barite - BaSO4 = + 1.0000 Ba++ + 1.0000 SO4-- - log_k -9.9711 - -delta_H 25.9408 kJ/mol # Calculated enthalpy of reaction Barite + BaSO4 = Ba+2 + SO4-2 + log_k -9.9711 + -delta_H 25.9408 kJ/mol # Calculated enthalpy of reaction Barite # Enthalpy of formation: -352.1 kcal/mol - -analytic -1.8747e+002 -7.5521e-002 2.0790e+003 7.7998e+001 3.2497e+001 + -analytic -1.8747e+2 -7.5521e-2 2.079e+3 7.7998e+1 3.2497e+1 # -Range: 0-300 Barytocalcite - BaCa(CO3)2 +2.0000 H+ = + 1.0000 Ba++ + 1.0000 Ca++ + 2.0000 HCO3- - log_k 2.7420 - -delta_H 0 # Not possible to calculate enthalpy of reaction Barytocalcite + BaCa(CO3)2 + 2 H+ = Ba+2 + Ca+2 + 2 HCO3- + log_k 2.742 + -delta_H 0 # Not possible to calculate enthalpy of reaction Barytocalcite # Enthalpy of formation: 0 kcal/mol Bassanite - CaSO4:0.5H2O = + 0.5000 H2O + 1.0000 Ca++ + 1.0000 SO4-- - log_k -3.6615 - -delta_H -18.711 kJ/mol # Calculated enthalpy of reaction Bassanite + CaSO4:0.5H2O = 0.5 H2O + Ca+2 + SO4-2 + log_k -3.6615 + -delta_H -18.711 kJ/mol # Calculated enthalpy of reaction Bassanite # Enthalpy of formation: -1576.89 kJ/mol - -analytic -2.2010e+002 -8.0230e-002 5.5092e+003 8.9651e+001 8.6031e+001 + -analytic -2.201e+2 -8.023e-2 5.5092e+3 8.9651e+1 8.6031e+1 # -Range: 0-300 Bassetite - Fe(UO2)2(PO4)2 +2.0000 H+ = + 1.0000 Fe++ + 2.0000 HPO4-- + 2.0000 UO2++ - log_k -17.7240 - -delta_H -114.841 kJ/mol # Calculated enthalpy of reaction Bassetite + Fe(UO2)2(PO4)2 + 2 H+ = Fe+2 + 2 HPO4-2 + 2 UO2+2 + log_k -17.724 + -delta_H -114.841 kJ/mol # Calculated enthalpy of reaction Bassetite # Enthalpy of formation: -1099.33 kcal/mol - -analytic -5.7788e+001 -4.5400e-002 4.0119e+003 1.6216e+001 6.8147e+001 + -analytic -5.7788e+1 -4.54e-2 4.0119e+3 1.6216e+1 6.8147e+1 # -Range: 0-200 Be - Be +2.0000 H+ +0.5000 O2 = + 1.0000 Be++ + 1.0000 H2O - log_k 104.2077 - -delta_H -662.608 kJ/mol # Calculated enthalpy of reaction Be + Be + 2 H+ + 0.5 O2 = Be+2 + H2O + log_k 104.2077 + -delta_H -662.608 kJ/mol # Calculated enthalpy of reaction Be # Enthalpy of formation: 0 kJ/mol - -analytic -9.3960e+001 -2.4749e-002 3.6714e+004 3.3295e+001 5.7291e+002 + -analytic -9.396e+1 -2.4749e-2 3.6714e+4 3.3295e+1 5.7291e+2 # -Range: 0-300 Be13U - Be13U +30.0000 H+ +7.5000 O2 = + 1.0000 U++++ + 13.0000 Be++ + 15.0000 H2O - log_k 1504.5350 - -delta_H -9601.04 kJ/mol # Calculated enthalpy of reaction Be13U + Be13U + 30 H+ + 7.5 O2 = U+4 + 13 Be+2 + 15 H2O + log_k 1504.535 + -delta_H -9601.04 kJ/mol # Calculated enthalpy of reaction Be13U # Enthalpy of formation: -163.6 kJ/mol - -analytic -1.2388e+003 -3.2848e-001 5.2816e+005 4.3222e+002 8.2419e+003 + -analytic -1.2388e+3 -3.2848e-1 5.2816e+5 4.3222e+2 8.2419e+3 # -Range: 0-300 Beidellite-Ca - Ca.165Al2.33Si3.67O10(OH)2 +7.3200 H+ = + 0.1650 Ca++ + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 H2O - log_k 5.5914 - -delta_H -162.403 kJ/mol # Calculated enthalpy of reaction Beidellite-Ca + Ca.165Al2.33Si3.67O10(OH)2 + 7.32 H+ = 0.165 Ca+2 + 2.33 Al+3 + 3.67 SiO2 + 4.66 H2O + log_k 5.5914 + -delta_H -162.403 kJ/mol # Calculated enthalpy of reaction Beidellite-Ca # Enthalpy of formation: -1370.66 kcal/mol - -analytic 2.3887e+001 4.4178e-003 1.5296e+004 -2.2343e+001 -1.4025e+006 + -analytic 2.3887e+1 4.4178e-3 1.5296e+4 -2.2343e+1 -1.4025e+6 # -Range: 0-300 Beidellite-Cs - Cs.33Si3.67Al2.33O10(OH)2 +7.3200 H+ = + 0.3300 Cs+ + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 H2O - log_k 5.1541 - -delta_H -149.851 kJ/mol # Calculated enthalpy of reaction Beidellite-Cs + Cs.33Si3.67Al2.33O10(OH)2 + 7.32 H+ = 0.33 Cs+ + 2.33 Al+3 + 3.67 SiO2 + 4.66 H2O + log_k 5.1541 + -delta_H -149.851 kJ/mol # Calculated enthalpy of reaction Beidellite-Cs # Enthalpy of formation: -1372.59 kcal/mol - -analytic 2.1244e+001 2.1705e-003 1.4504e+004 -2.0250e+001 -1.3712e+006 + -analytic 2.1244e+1 2.1705e-3 1.4504e+4 -2.025e+1 -1.3712e+6 # -Range: 0-300 Beidellite-H - H.33Al2.33Si3.67O10(OH)2 +6.9900 H+ = + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 H2O - log_k 4.6335 - -delta_H -154.65 kJ/mol # Calculated enthalpy of reaction Beidellite-H + H.33Al2.33Si3.67O10(OH)2 + 6.99 H+ = 2.33 Al+3 + 3.67 SiO2 + 4.66 H2O + log_k 4.6335 + -delta_H -154.65 kJ/mol # Calculated enthalpy of reaction Beidellite-H # Enthalpy of formation: -1351.1 kcal/mol - -analytic 5.4070e+000 3.4064e-003 1.6284e+004 -1.6028e+001 -1.5014e+006 + -analytic 5.407e+0 3.4064e-3 1.6284e+4 -1.6028e+1 -1.5014e+6 # -Range: 0-300 Beidellite-K - K.33Al2.33Si3.67O10(OH)2 +7.3200 H+ = + 0.3300 K+ + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 H2O - log_k 5.3088 - -delta_H -150.834 kJ/mol # Calculated enthalpy of reaction Beidellite-K + K.33Al2.33Si3.67O10(OH)2 + 7.32 H+ = 0.33 K+ + 2.33 Al+3 + 3.67 SiO2 + 4.66 H2O + log_k 5.3088 + -delta_H -150.834 kJ/mol # Calculated enthalpy of reaction Beidellite-K # Enthalpy of formation: -1371.9 kcal/mol - -analytic 1.0792e+001 3.4419e-003 1.5760e+004 -1.7333e+001 -1.4779e+006 + -analytic 1.0792e+1 3.4419e-3 1.576e+4 -1.7333e+1 -1.4779e+6 # -Range: 0-300 Beidellite-Mg - Mg.165Al2.33Si3.67O10(OH)2 +7.3200 H+ = + 0.1650 Mg++ + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 H2O - log_k 5.5537 - -delta_H -165.455 kJ/mol # Calculated enthalpy of reaction Beidellite-Mg + Mg.165Al2.33Si3.67O10(OH)2 + 7.32 H+ = 0.165 Mg+2 + 2.33 Al+3 + 3.67 SiO2 + 4.66 H2O + log_k 5.5537 + -delta_H -165.455 kJ/mol # Calculated enthalpy of reaction Beidellite-Mg # Enthalpy of formation: -1366.89 kcal/mol - -analytic 1.3375e+001 3.0420e-003 1.5947e+004 -1.8728e+001 -1.4242e+006 + -analytic 1.3375e+1 3.042e-3 1.5947e+4 -1.8728e+1 -1.4242e+6 # -Range: 0-300 Beidellite-Na - Na.33Al2.33Si3.67O10(OH)2 +7.3200 H+ = + 0.3300 Na+ + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 H2O - log_k 5.6473 - -delta_H -155.846 kJ/mol # Calculated enthalpy of reaction Beidellite-Na + Na.33Al2.33Si3.67O10(OH)2 + 7.32 H+ = 0.33 Na+ + 2.33 Al+3 + 3.67 SiO2 + 4.66 H2O + log_k 5.6473 + -delta_H -155.846 kJ/mol # Calculated enthalpy of reaction Beidellite-Na # Enthalpy of formation: -1369.76 kcal/mol - -analytic 1.1504e+001 3.9871e-003 1.5818e+004 -1.7762e+001 -1.4485e+006 + -analytic 1.1504e+1 3.9871e-3 1.5818e+4 -1.7762e+1 -1.4485e+6 # -Range: 0-300 Berlinite - AlPO4 +1.0000 H+ = + 1.0000 Al+++ + 1.0000 HPO4-- - log_k -7.2087 - -delta_H -96.6313 kJ/mol # Calculated enthalpy of reaction Berlinite + AlPO4 + H+ = Al+3 + HPO4-2 + log_k -7.2087 + -delta_H -96.6313 kJ/mol # Calculated enthalpy of reaction Berlinite # Enthalpy of formation: -1733.85 kJ/mol - -analytic -2.8134e+002 -9.9933e-002 1.0308e+004 1.0883e+002 1.6094e+002 + -analytic -2.8134e+2 -9.9933e-2 1.0308e+4 1.0883e+2 1.6094e+2 # -Range: 0-300 Berndtite - SnS2 = + 1.0000 S2-- + 1.0000 Sn++ - log_k -34.5393 - -delta_H 0 # Not possible to calculate enthalpy of reaction Berndtite + SnS2 = S2-2 + Sn+2 + log_k -34.5393 + -delta_H 0 # Not possible to calculate enthalpy of reaction Berndtite # Enthalpy of formation: -36.7 kcal/mol - -analytic -2.0311e+002 -7.6462e-002 -4.9879e+003 8.4082e+001 -7.7772e+001 + -analytic -2.0311e+2 -7.6462e-2 -4.9879e+3 8.4082e+1 -7.7772e+1 # -Range: 0-300 Bieberite - CoSO4:7H2O = + 1.0000 Co++ + 1.0000 SO4-- + 7.0000 H2O - log_k -2.5051 - -delta_H 11.3885 kJ/mol # Calculated enthalpy of reaction Bieberite + CoSO4:7H2O = Co+2 + SO4-2 + 7 H2O + log_k -2.5051 + -delta_H 11.3885 kJ/mol # Calculated enthalpy of reaction Bieberite # Enthalpy of formation: -2980.02 kJ/mol - -analytic -2.6405e+002 -7.2497e-002 6.6673e+003 1.0538e+002 1.0411e+002 + -analytic -2.6405e+2 -7.2497e-2 6.6673e+3 1.0538e+2 1.0411e+2 # -Range: 0-300 Birnessite - Mn8O14:5H2O +4.0000 H+ = + 3.0000 MnO4-- + 5.0000 Mn++ + 7.0000 H2O - log_k -85.5463 - -delta_H 0 # Not possible to calculate enthalpy of reaction Birnessite + Mn8O14:5H2O + 4 H+ = 3 MnO4-2 + 5 Mn+2 + 7 H2O + log_k -85.5463 + -delta_H 0 # Not possible to calculate enthalpy of reaction Birnessite # Enthalpy of formation: 0 kcal/mol Bischofite - MgCl2:6H2O = + 1.0000 Mg++ + 2.0000 Cl- + 6.0000 H2O - log_k 4.3923 - -delta_H 0 # Not possible to calculate enthalpy of reaction Bischofite + MgCl2:6H2O = Mg+2 + 2 Cl- + 6 H2O + log_k 4.3923 + -delta_H 0 # Not possible to calculate enthalpy of reaction Bischofite # Enthalpy of formation: 0 kcal/mol Bixbyite - Mn2O3 +6.0000 H+ = + 2.0000 Mn+++ + 3.0000 H2O - log_k -0.9655 - -delta_H -190.545 kJ/mol # Calculated enthalpy of reaction Bixbyite + Mn2O3 + 6 H+ = 2 Mn+3 + 3 H2O + log_k -0.9655 + -delta_H -190.545 kJ/mol # Calculated enthalpy of reaction Bixbyite # Enthalpy of formation: -958.971 kJ/mol - -analytic -1.1600e+002 -2.8056e-003 1.3418e+004 2.8639e+001 2.0941e+002 + -analytic -1.16e+2 -2.8056e-3 1.3418e+4 2.8639e+1 2.0941e+2 # -Range: 0-300 Bloedite - Na2Mg(SO4)2:4H2O = + 1.0000 Mg++ + 2.0000 Na+ + 2.0000 SO4-- + 4.0000 H2O - log_k -2.4777 - -delta_H 0 # Not possible to calculate enthalpy of reaction Bloedite + Na2Mg(SO4)2:4H2O = Mg+2 + 2 Na+ + 2 SO4-2 + 4 H2O + log_k -2.4777 + -delta_H 0 # Not possible to calculate enthalpy of reaction Bloedite # Enthalpy of formation: 0 kcal/mol Boehmite - AlO2H +3.0000 H+ = + 1.0000 Al+++ + 2.0000 H2O - log_k 7.5642 - -delta_H -113.282 kJ/mol # Calculated enthalpy of reaction Boehmite + AlO2H + 3 H+ = Al+3 + 2 H2O + log_k 7.5642 + -delta_H -113.282 kJ/mol # Calculated enthalpy of reaction Boehmite # Enthalpy of formation: -238.24 kcal/mol - -analytic -1.2196e+002 -3.1138e-002 8.8643e+003 4.4075e+001 1.3835e+002 + -analytic -1.2196e+2 -3.1138e-2 8.8643e+3 4.4075e+1 1.3835e+2 # -Range: 0-300 Boltwoodite - K(H3O)(UO2)SiO4 +3.0000 H+ = + 1.0000 K+ + 1.0000 SiO2 + 1.0000 UO2++ + 3.0000 H2O - log_k 14.8857 - -delta_H 0 # Not possible to calculate enthalpy of reaction Boltwoodite + K(H3O)(UO2)SiO4 + 3 H+ = K+ + SiO2 + UO2+2 + 3 H2O + log_k 14.8857 + -delta_H 0 # Not possible to calculate enthalpy of reaction Boltwoodite # Enthalpy of formation: 0 kcal/mol Boltwoodite-Na - Na.7K.3(H3O)(UO2)SiO4:H2O +3.0000 H+ = + 0.3000 K+ + 0.7000 Na+ + 1.0000 SiO2 + 1.0000 UO2++ + 4.0000 H2O - log_k 14.5834 - -delta_H 0 # Not possible to calculate enthalpy of reaction Boltwoodite-Na + Na.7K.3(H3O)(UO2)SiO4:H2O + 3 H+ = 0.3 K+ + 0.7 Na+ + SiO2 + UO2+2 + 4 H2O + log_k 14.5834 + -delta_H 0 # Not possible to calculate enthalpy of reaction Boltwoodite-Na # Enthalpy of formation: 0 kcal/mol Borax - Na2(B4O5(OH)4):8H2O +2.0000 H+ = + 2.0000 Na+ + 4.0000 B(OH)3 + 5.0000 H2O - log_k 12.0395 - -delta_H 80.5145 kJ/mol # Calculated enthalpy of reaction Borax + Na2(B4O5(OH)4):8H2O + 2 H+ = 2 Na+ + 4 B(OH)3 + 5 H2O + log_k 12.0395 + -delta_H 80.5145 kJ/mol # Calculated enthalpy of reaction Borax # Enthalpy of formation: -6288.44 kJ/mol - -analytic 7.8374e+001 1.9328e-002 -5.3279e+003 -2.1914e+001 -8.3160e+001 + -analytic 7.8374e+1 1.9328e-2 -5.3279e+3 -2.1914e+1 -8.316e+1 # -Range: 0-300 Boric_acid - B(OH)3 = + 1.0000 B(OH)3 - log_k -0.1583 - -delta_H 20.2651 kJ/mol # Calculated enthalpy of reaction Boric_acid + B(OH)3 = B(OH)3 + log_k -0.1583 + -delta_H 20.2651 kJ/mol # Calculated enthalpy of reaction Boric_acid # Enthalpy of formation: -1094.8 kJ/mol - -analytic 3.9122e+001 6.4058e-003 -2.2525e+003 -1.3592e+001 -3.5160e+001 + -analytic 3.9122e+1 6.4058e-3 -2.2525e+3 -1.3592e+1 -3.516e+1 # -Range: 0-300 Bornite - Cu5FeS4 +4.0000 H+ = + 1.0000 Cu++ + 1.0000 Fe++ + 4.0000 Cu+ + 4.0000 HS- - log_k -102.4369 - -delta_H 530.113 kJ/mol # Calculated enthalpy of reaction Bornite + Cu5FeS4 + 4 H+ = Cu+2 + Fe+2 + 4 Cu+ + 4 HS- + log_k -102.4369 + -delta_H 530.113 kJ/mol # Calculated enthalpy of reaction Bornite # Enthalpy of formation: -79.922 kcal/mol - -analytic -7.0495e+002 -2.0082e-001 -9.1376e+003 2.8004e+002 -1.4238e+002 + -analytic -7.0495e+2 -2.0082e-1 -9.1376e+3 2.8004e+2 -1.4238e+2 # -Range: 0-300 Brezinaite - Cr3S4 +4.0000 H+ = + 1.0000 Cr++ + 2.0000 Cr+++ + 4.0000 HS- - log_k 2.7883 - -delta_H -216.731 kJ/mol # Calculated enthalpy of reaction Brezinaite + Cr3S4 + 4 H+ = Cr+2 + 2 Cr+3 + 4 HS- + log_k 2.7883 + -delta_H -216.731 kJ/mol # Calculated enthalpy of reaction Brezinaite # Enthalpy of formation: -111.9 kcal/mol - -analytic -7.0528e+001 -3.6568e-002 1.0598e+004 1.9665e+001 1.8000e+002 + -analytic -7.0528e+1 -3.6568e-2 1.0598e+4 1.9665e+1 1.8e+2 # -Range: 0-200 Brochantite - Cu4(SO4)(OH)6 +6.0000 H+ = + 1.0000 SO4-- + 4.0000 Cu++ + 6.0000 H2O - log_k 15.4363 - -delta_H -163.158 kJ/mol # Calculated enthalpy of reaction Brochantite + Cu4(SO4)(OH)6 + 6 H+ = SO4-2 + 4 Cu+2 + 6 H2O + log_k 15.4363 + -delta_H -163.158 kJ/mol # Calculated enthalpy of reaction Brochantite # Enthalpy of formation: -2198.72 kJ/mol - -analytic -2.3609e+002 -3.9046e-002 1.5970e+004 8.4701e+001 2.7127e+002 + -analytic -2.3609e+2 -3.9046e-2 1.597e+4 8.4701e+1 2.7127e+2 # -Range: 0-200 Bromellite - BeO +2.0000 H+ = + 1.0000 Be++ + 1.0000 H2O - log_k 1.1309 - -delta_H -59.2743 kJ/mol # Calculated enthalpy of reaction Bromellite + BeO + 2 H+ = Be+2 + H2O + log_k 1.1309 + -delta_H -59.2743 kJ/mol # Calculated enthalpy of reaction Bromellite # Enthalpy of formation: -609.4 kJ/mol - -analytic 1.4790e+002 -4.6004e-001 -3.2577e+004 4.0273e+001 -5.0837e+002 + -analytic 1.479e+2 -4.6004e-1 -3.2577e+4 4.0273e+1 -5.0837e+2 # -Range: 0-300 Brucite - Mg(OH)2 +2.0000 H+ = + 1.0000 Mg++ + 2.0000 H2O - log_k 16.2980 - -delta_H -111.34 kJ/mol # Calculated enthalpy of reaction Brucite + Mg(OH)2 + 2 H+ = Mg+2 + 2 H2O + log_k 16.298 + -delta_H -111.34 kJ/mol # Calculated enthalpy of reaction Brucite # Enthalpy of formation: -221.39 kcal/mol - -analytic -1.0280e+002 -1.9759e-002 9.0180e+003 3.8282e+001 1.4075e+002 + -analytic -1.028e+2 -1.9759e-2 9.018e+3 3.8282e+1 1.4075e+2 # -Range: 0-300 Brushite - CaHPO4:2H2O = + 1.0000 Ca++ + 1.0000 HPO4-- + 2.0000 H2O - log_k 6.5500 - -delta_H 0 # Not possible to calculate enthalpy of reaction Brushite + CaHPO4:2H2O = Ca+2 + HPO4-2 + 2 H2O + log_k 6.55 + -delta_H 0 # Not possible to calculate enthalpy of reaction Brushite # Enthalpy of formation: 0 kcal/mol Bunsenite - NiO +2.0000 H+ = + 1.0000 H2O + 1.0000 Ni++ - log_k 12.4719 - -delta_H -100.069 kJ/mol # Calculated enthalpy of reaction Bunsenite + NiO + 2 H+ = H2O + Ni+2 + log_k 12.4719 + -delta_H -100.069 kJ/mol # Calculated enthalpy of reaction Bunsenite # Enthalpy of formation: -57.3 kcal/mol - -analytic -8.1664e+001 -1.9796e-002 7.4064e+003 3.0385e+001 1.1559e+002 + -analytic -8.1664e+1 -1.9796e-2 7.4064e+3 3.0385e+1 1.1559e+2 # -Range: 0-300 Burkeite - Na6CO3(SO4)2 +1.0000 H+ = + 1.0000 HCO3- + 2.0000 SO4-- + 6.0000 Na+ - log_k 9.4866 - -delta_H 0 # Not possible to calculate enthalpy of reaction Burkeite + Na6CO3(SO4)2 + H+ = HCO3- + 2 SO4-2 + 6 Na+ + log_k 9.4866 + -delta_H 0 # Not possible to calculate enthalpy of reaction Burkeite # Enthalpy of formation: 0 kcal/mol C - C +1.0000 H2O +1.0000 O2 = + 1.0000 H+ + 1.0000 HCO3- - log_k 64.1735 - -delta_H -391.961 kJ/mol # Calculated enthalpy of reaction C + C + H2O + O2 = H+ + HCO3- + log_k 64.1735 + -delta_H -391.961 kJ/mol # Calculated enthalpy of reaction C # Enthalpy of formation: 0 kcal/mol - -analytic -3.5556e+001 -3.3691e-002 1.9774e+004 1.7548e+001 3.0856e+002 + -analytic -3.5556e+1 -3.3691e-2 1.9774e+4 1.7548e+1 3.0856e+2 # -Range: 0-300 Ca - Ca +2.0000 H+ +0.5000 O2 = + 1.0000 Ca++ + 1.0000 H2O - log_k 139.8465 - -delta_H -822.855 kJ/mol # Calculated enthalpy of reaction Ca + Ca + 2 H+ + 0.5 O2 = Ca+2 + H2O + log_k 139.8465 + -delta_H -822.855 kJ/mol # Calculated enthalpy of reaction Ca # Enthalpy of formation: 0 kJ/mol - -analytic -1.1328e+002 -2.6554e-002 4.7638e+004 4.1989e+001 -2.3545e+005 + -analytic -1.1328e+2 -2.6554e-2 4.7638e+4 4.1989e+1 -2.3545e+5 # -Range: 0-300 Ca-Al_Pyroxene - CaAl2SiO6 +8.0000 H+ = + 1.0000 Ca++ + 1.0000 SiO2 + 2.0000 Al+++ + 4.0000 H2O - log_k 35.9759 - -delta_H -361.548 kJ/mol # Calculated enthalpy of reaction Ca-Al_Pyroxene + CaAl2SiO6 + 8 H+ = Ca+2 + SiO2 + 2 Al+3 + 4 H2O + log_k 35.9759 + -delta_H -361.548 kJ/mol # Calculated enthalpy of reaction Ca-Al_Pyroxene # Enthalpy of formation: -783.793 kcal/mol - -analytic -1.4664e+002 -5.0409e-002 2.1045e+004 5.1318e+001 3.2843e+002 + -analytic -1.4664e+2 -5.0409e-2 2.1045e+4 5.1318e+1 3.2843e+2 # -Range: 0-300 Ca2Al2O5:8H2O - Ca2Al2O5:8H2O +10.0000 H+ = + 2.0000 Al+++ + 2.0000 Ca++ + 13.0000 H2O - log_k 59.5687 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ca2Al2O5:8H2O + Ca2Al2O5:8H2O + 10 H+ = 2 Al+3 + 2 Ca+2 + 13 H2O + log_k 59.5687 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ca2Al2O5:8H2O # Enthalpy of formation: 0 kcal/mol Ca2Cl2(OH)2:H2O - Ca2Cl2(OH)2:H2O +2.0000 H+ = + 2.0000 Ca++ + 2.0000 Cl- + 3.0000 H2O - log_k 26.2901 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ca2Cl2(OH)2:H2O + Ca2Cl2(OH)2:H2O + 2 H+ = 2 Ca+2 + 2 Cl- + 3 H2O + log_k 26.2901 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ca2Cl2(OH)2:H2O # Enthalpy of formation: 0 kcal/mol Ca2V2O7 - Ca2V2O7 +1.0000 H2O = + 2.0000 Ca++ + 2.0000 H+ + 2.0000 VO4--- - log_k -39.7129 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ca2V2O7 + Ca2V2O7 + H2O = 2 Ca+2 + 2 H+ + 2 VO4-3 + log_k -39.7129 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ca2V2O7 # Enthalpy of formation: -3083.46 kJ/mol Ca3(AsO4)2 - Ca3(AsO4)2 +4.0000 H+ = + 2.0000 H2AsO4- + 3.0000 Ca++ - log_k 17.8160 - -delta_H -149.956 kJ/mol # Calculated enthalpy of reaction Ca3(AsO4)2 + Ca3(AsO4)2 + 4 H+ = 2 H2AsO4- + 3 Ca+2 + log_k 17.816 + -delta_H -149.956 kJ/mol # Calculated enthalpy of reaction Ca3(AsO4)2 # Enthalpy of formation: -3298.41 kJ/mol - -analytic -1.4011e+002 -4.2945e-002 1.0981e+004 5.4107e+001 1.8652e+002 + -analytic -1.4011e+2 -4.2945e-2 1.0981e+4 5.4107e+1 1.8652e+2 # -Range: 0-200 Ca3Al2O6 - Ca3Al2O6 +12.0000 H+ = + 2.0000 Al+++ + 3.0000 Ca++ + 6.0000 H2O - log_k 113.0460 - -delta_H -833.336 kJ/mol # Calculated enthalpy of reaction Ca3Al2O6 + Ca3Al2O6 + 12 H+ = 2 Al+3 + 3 Ca+2 + 6 H2O + log_k 113.046 + -delta_H -833.336 kJ/mol # Calculated enthalpy of reaction Ca3Al2O6 # Enthalpy of formation: -857.492 kcal/mol - -analytic -2.7163e+002 -5.2897e-002 5.0815e+004 9.2946e+001 8.6300e+002 + -analytic -2.7163e+2 -5.2897e-2 5.0815e+4 9.2946e+1 8.63e+2 # -Range: 0-200 Ca3V2O8 - Ca3V2O8 = + 2.0000 VO4--- + 3.0000 Ca++ - log_k -18.3234 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ca3V2O8 + Ca3V2O8 = 2 VO4-3 + 3 Ca+2 + log_k -18.3234 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ca3V2O8 # Enthalpy of formation: -3778.1 kJ/mol Ca4Al2Fe2O10 - Ca4Al2Fe2O10 +20.0000 H+ = + 2.0000 Al+++ + 2.0000 Fe+++ + 4.0000 Ca++ + 10.0000 H2O - log_k 140.5050 - -delta_H -1139.86 kJ/mol # Calculated enthalpy of reaction Ca4Al2Fe2O10 + Ca4Al2Fe2O10 + 20 H+ = 2 Al+3 + 2 Fe+3 + 4 Ca+2 + 10 H2O + log_k 140.505 + -delta_H -1139.86 kJ/mol # Calculated enthalpy of reaction Ca4Al2Fe2O10 # Enthalpy of formation: -1211 kcal/mol - -analytic -4.1808e+002 -8.2787e-002 7.0288e+004 1.4043e+002 1.1937e+003 + -analytic -4.1808e+2 -8.2787e-2 7.0288e+4 1.4043e+2 1.1937e+3 # -Range: 0-200 Ca4Al2O7:13H2O - Ca4Al2O7:13H2O +14.0000 H+ = + 2.0000 Al+++ + 4.0000 Ca++ + 20.0000 H2O - log_k 107.2537 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ca4Al2O7:13H2O + Ca4Al2O7:13H2O + 14 H+ = 2 Al+3 + 4 Ca+2 + 20 H2O + log_k 107.2537 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ca4Al2O7:13H2O # Enthalpy of formation: 0 kcal/mol Ca4Al2O7:19H2O - Ca4Al2O7:19H2O +14.0000 H+ = + 2.0000 Al+++ + 4.0000 Ca++ + 26.0000 H2O - log_k 103.6812 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ca4Al2O7:19H2O + Ca4Al2O7:19H2O + 14 H+ = 2 Al+3 + 4 Ca+2 + 26 H2O + log_k 103.6812 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ca4Al2O7:19H2O # Enthalpy of formation: 0 kcal/mol Ca4Cl2(OH)6:13H2O - Ca4Cl2(OH)6:13H2O +6.0000 H+ = + 2.0000 Cl- + 4.0000 Ca++ + 19.0000 H2O - log_k 68.3283 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ca4Cl2(OH)6:13H2O + Ca4Cl2(OH)6:13H2O + 6 H+ = 2 Cl- + 4 Ca+2 + 19 H2O + log_k 68.3283 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ca4Cl2(OH)6:13H2O # Enthalpy of formation: 0 kcal/mol CaAl2O4 - CaAl2O4 +8.0000 H+ = + 1.0000 Ca++ + 2.0000 Al+++ + 4.0000 H2O - log_k 46.9541 - -delta_H -436.952 kJ/mol # Calculated enthalpy of reaction CaAl2O4 + CaAl2O4 + 8 H+ = Ca+2 + 2 Al+3 + 4 H2O + log_k 46.9541 + -delta_H -436.952 kJ/mol # Calculated enthalpy of reaction CaAl2O4 # Enthalpy of formation: -555.996 kcal/mol - -analytic -3.0378e+002 -7.9356e-002 3.0096e+004 1.1049e+002 4.6971e+002 + -analytic -3.0378e+2 -7.9356e-2 3.0096e+4 1.1049e+2 4.6971e+2 # -Range: 0-300 CaAl2O4:10H2O - CaAl2O4:10H2O +8.0000 H+ = + 1.0000 Ca++ + 2.0000 Al+++ + 14.0000 H2O - log_k 37.9946 - -delta_H 0 # Not possible to calculate enthalpy of reaction CaAl2O4:10H2O + CaAl2O4:10H2O + 8 H+ = Ca+2 + 2 Al+3 + 14 H2O + log_k 37.9946 + -delta_H 0 # Not possible to calculate enthalpy of reaction CaAl2O4:10H2O # Enthalpy of formation: 0 kcal/mol CaAl4O7 - CaAl4O7 +14.0000 H+ = + 1.0000 Ca++ + 4.0000 Al+++ + 7.0000 H2O - log_k 68.6138 - -delta_H -718.464 kJ/mol # Calculated enthalpy of reaction CaAl4O7 + CaAl4O7 + 14 H+ = Ca+2 + 4 Al+3 + 7 H2O + log_k 68.6138 + -delta_H -718.464 kJ/mol # Calculated enthalpy of reaction CaAl4O7 # Enthalpy of formation: -951.026 kcal/mol - -analytic -3.1044e+002 -6.7078e-002 4.4566e+004 1.0085e+002 7.5689e+002 + -analytic -3.1044e+2 -6.7078e-2 4.4566e+4 1.0085e+2 7.5689e+2 # -Range: 0-200 CaSO4:0.5H2O(beta) - CaSO4:0.5H2O = + 0.5000 H2O + 1.0000 Ca++ + 1.0000 SO4-- - log_k -3.4934 - -delta_H -20.804 kJ/mol # Calculated enthalpy of reaction CaSO4:0.5H2O(beta) + CaSO4:0.5H2O = 0.5 H2O + Ca+2 + SO4-2 + log_k -3.4934 + -delta_H -20.804 kJ/mol # Calculated enthalpy of reaction CaSO4:0.5H2O(beta) # Enthalpy of formation: -1574.8 kJ/mol - -analytic -2.3054e+002 -8.2832e-002 5.9132e+003 9.3705e+001 9.2338e+001 + -analytic -2.3054e+2 -8.2832e-2 5.9132e+3 9.3705e+1 9.2338e+1 # -Range: 0-300 CaSeO3:2H2O - CaSeO3:2H2O = + 1.0000 Ca++ + 1.0000 SeO3-- + 2.0000 H2O - log_k -4.6213 - -delta_H -14.1963 kJ/mol # Calculated enthalpy of reaction CaSeO3:2H2O + CaSeO3:2H2O = Ca+2 + SeO3-2 + 2 H2O + log_k -4.6213 + -delta_H -14.1963 kJ/mol # Calculated enthalpy of reaction CaSeO3:2H2O # Enthalpy of formation: -384.741 kcal/mol - -analytic -4.1771e+001 -2.0735e-002 9.7870e+002 1.6180e+001 1.6634e+001 + -analytic -4.1771e+1 -2.0735e-2 9.787e+2 1.618e+1 1.6634e+1 # -Range: 0-200 CaSeO4 - CaSeO4 = + 1.0000 Ca++ + 1.0000 SeO4-- - log_k -3.0900 - -delta_H 0 # Not possible to calculate enthalpy of reaction CaSeO4 + CaSeO4 = Ca+2 + SeO4-2 + log_k -3.09 + -delta_H 0 # Not possible to calculate enthalpy of reaction CaSeO4 # Enthalpy of formation: 0 kcal/mol CaUO4 - CaUO4 +4.0000 H+ = + 1.0000 Ca++ + 1.0000 UO2++ + 2.0000 H2O - log_k 15.9420 - -delta_H -131.46 kJ/mol # Calculated enthalpy of reaction CaUO4 + CaUO4 + 4 H+ = Ca+2 + UO2+2 + 2 H2O + log_k 15.942 + -delta_H -131.46 kJ/mol # Calculated enthalpy of reaction CaUO4 # Enthalpy of formation: -2002.3 kJ/mol - -analytic -8.7902e+001 -1.9810e-002 9.2354e+003 3.1832e+001 1.4414e+002 + -analytic -8.7902e+1 -1.981e-2 9.2354e+3 3.1832e+1 1.4414e+2 # -Range: 0-300 CaV2O6 - CaV2O6 +2.0000 H2O = + 1.0000 Ca++ + 2.0000 VO4--- + 4.0000 H+ - log_k -51.3617 - -delta_H 0 # Not possible to calculate enthalpy of reaction CaV2O6 + CaV2O6 + 2 H2O = Ca+2 + 2 VO4-3 + 4 H+ + log_k -51.3617 + -delta_H 0 # Not possible to calculate enthalpy of reaction CaV2O6 # Enthalpy of formation: -2329.34 kJ/mol CaZrO3 - CaZrO3 +4.0000 H+ = + 1.0000 Ca++ + 1.0000 H2O + 1.0000 Zr(OH)2++ - log_k -148.5015 - -delta_H 801.282 kJ/mol # Calculated enthalpy of reaction CaZrO3 + CaZrO3 + 4 H+ = Ca+2 + H2O + Zr(OH)2+2 + log_k -148.5015 + -delta_H 801.282 kJ/mol # Calculated enthalpy of reaction CaZrO3 # Enthalpy of formation: -650.345 kcal/mol - -analytic -7.7908e+001 -1.4388e-002 -3.9635e+004 2.6932e+001 -6.7303e+002 + -analytic -7.7908e+1 -1.4388e-2 -3.9635e+4 2.6932e+1 -6.7303e+2 # -Range: 0-200 Cadmoselite - CdSe = + 1.0000 Cd++ + 1.0000 Se-- - log_k -33.8428 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cadmoselite + CdSe = Cd+2 + Se-2 + log_k -33.8428 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cadmoselite # Enthalpy of formation: -34.6 kcal/mol - -analytic -5.3432e+001 -1.3973e-002 -5.8989e+003 1.7591e+001 -9.2031e+001 + -analytic -5.3432e+1 -1.3973e-2 -5.8989e+3 1.7591e+1 -9.2031e+1 # -Range: 0-300 Calcite - CaCO3 +1.0000 H+ = + 1.0000 Ca++ + 1.0000 HCO3- - log_k 1.8487 - -delta_H -25.7149 kJ/mol # Calculated enthalpy of reaction Calcite + CaCO3 + H+ = Ca+2 + HCO3- + log_k 1.8487 + -delta_H -25.7149 kJ/mol # Calculated enthalpy of reaction Calcite # Enthalpy of formation: -288.552 kcal/mol - -analytic -1.4978e+002 -4.8370e-002 4.8974e+003 6.0458e+001 7.6464e+001 + -analytic -1.4978e+2 -4.837e-2 4.8974e+3 6.0458e+1 7.6464e+1 # -Range: 0-300 Calomel - Hg2Cl2 = + 1.0000 Hg2++ + 2.0000 Cl- - log_k -17.8241 - -delta_H 98.0267 kJ/mol # Calculated enthalpy of reaction Calomel + Hg2Cl2 = Hg2+2 + 2 Cl- + log_k -17.8241 + -delta_H 98.0267 kJ/mol # Calculated enthalpy of reaction Calomel # Enthalpy of formation: -265.37 kJ/mol - -analytic -4.8868e+001 -2.5540e-002 -2.8439e+003 1.9475e+001 -4.8277e+001 + -analytic -4.8868e+1 -2.554e-2 -2.8439e+3 1.9475e+1 -4.8277e+1 # -Range: 0-200 Carnallite - KMgCl3:6H2O = + 1.0000 K+ + 1.0000 Mg++ + 3.0000 Cl- + 6.0000 H2O - log_k 4.2721 - -delta_H 0 # Not possible to calculate enthalpy of reaction Carnallite + KMgCl3:6H2O = K+ + Mg+2 + 3 Cl- + 6 H2O + log_k 4.2721 + -delta_H 0 # Not possible to calculate enthalpy of reaction Carnallite # Enthalpy of formation: 0 kcal/mol Carnotite - K2(UO2)2(VO4)2 = + 2.0000 K+ + 2.0000 UO2++ + 2.0000 VO4--- - log_k -56.3811 - -delta_H 0 # Not possible to calculate enthalpy of reaction Carnotite + K2(UO2)2(VO4)2 = 2 K+ + 2 UO2+2 + 2 VO4-3 + log_k -56.3811 + -delta_H 0 # Not possible to calculate enthalpy of reaction Carnotite # Enthalpy of formation: -1173.9 kJ/mol Cassiterite - SnO2 +2.0000 H+ = + 0.5000 O2 + 1.0000 H2O + 1.0000 Sn++ - log_k -46.1203 - -delta_H 280.048 kJ/mol # Calculated enthalpy of reaction Cassiterite + SnO2 + 2 H+ = 0.5 O2 + H2O + Sn+2 + log_k -46.1203 + -delta_H 280.048 kJ/mol # Calculated enthalpy of reaction Cassiterite # Enthalpy of formation: -138.8 kcal/mol - -analytic -8.9264e+001 -1.5743e-002 -1.1497e+004 3.4917e+001 -1.7937e+002 + -analytic -8.9264e+1 -1.5743e-2 -1.1497e+4 3.4917e+1 -1.7937e+2 # -Range: 0-300 Cattierite - CoS2 = + 1.0000 Co++ + 1.0000 S2-- - log_k -29.9067 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cattierite + CoS2 = Co+2 + S2-2 + log_k -29.9067 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cattierite # Enthalpy of formation: -36.589 kcal/mol - -analytic -2.1970e+002 -7.8585e-002 -1.9592e+003 8.8809e+001 -3.0507e+001 + -analytic -2.197e+2 -7.8585e-2 -1.9592e+3 8.8809e+1 -3.0507e+1 # -Range: 0-300 Cd - Cd +2.0000 H+ +0.5000 O2 = + 1.0000 Cd++ + 1.0000 H2O - log_k 56.6062 - -delta_H -355.669 kJ/mol # Calculated enthalpy of reaction Cd + Cd + 2 H+ + 0.5 O2 = Cd+2 + H2O + log_k 56.6062 + -delta_H -355.669 kJ/mol # Calculated enthalpy of reaction Cd # Enthalpy of formation: 0 kJ/mol - -analytic -7.2027e+001 -2.0250e-002 2.0474e+004 2.6814e+001 -3.2348e+004 + -analytic -7.2027e+1 -2.025e-2 2.0474e+4 2.6814e+1 -3.2348e+4 # -Range: 0-300 Cd(BO2)2 - Cd(BO2)2 +2.0000 H+ +2.0000 H2O = + 1.0000 Cd++ + 2.0000 B(OH)3 - log_k 9.8299 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(BO2)2 + Cd(BO2)2 + 2 H+ + 2 H2O = Cd+2 + 2 B(OH)3 + log_k 9.8299 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(BO2)2 # Enthalpy of formation: 0 kcal/mol Cd(IO3)2 - Cd(IO3)2 = + 1.0000 Cd++ + 2.0000 IO3- - log_k -7.5848 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(IO3)2 + Cd(IO3)2 = Cd+2 + 2 IO3- + log_k -7.5848 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(IO3)2 # Enthalpy of formation: 0 kcal/mol Cd(OH)2 - Cd(OH)2 +2.0000 H+ = + 1.0000 Cd++ + 2.0000 H2O - log_k 13.7382 - -delta_H -87.0244 kJ/mol # Calculated enthalpy of reaction Cd(OH)2 + Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O + log_k 13.7382 + -delta_H -87.0244 kJ/mol # Calculated enthalpy of reaction Cd(OH)2 # Enthalpy of formation: -560.55 kJ/mol - -analytic -7.7001e+001 -6.9251e-003 7.4684e+003 2.7380e+001 1.2685e+002 + -analytic -7.7001e+1 -6.9251e-3 7.4684e+3 2.738e+1 1.2685e+2 # -Range: 0-200 Cd(OH)Cl - Cd(OH)Cl +1.0000 H+ = + 1.0000 Cd++ + 1.0000 Cl- + 1.0000 H2O - log_k 3.5435 - -delta_H -30.3888 kJ/mol # Calculated enthalpy of reaction Cd(OH)Cl + Cd(OH)Cl + H+ = Cd+2 + Cl- + H2O + log_k 3.5435 + -delta_H -30.3888 kJ/mol # Calculated enthalpy of reaction Cd(OH)Cl # Enthalpy of formation: -498.427 kJ/mol - -analytic -4.5477e+001 -1.5809e-002 2.5333e+003 1.8279e+001 4.3035e+001 + -analytic -4.5477e+1 -1.5809e-2 2.5333e+3 1.8279e+1 4.3035e+1 # -Range: 0-200 Cd3(AsO4)2 - Cd3(AsO4)2 +4.0000 H+ = + 2.0000 H2AsO4- + 3.0000 Cd++ - log_k 4.0625 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd3(AsO4)2 + Cd3(AsO4)2 + 4 H+ = 2 H2AsO4- + 3 Cd+2 + log_k 4.0625 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd3(AsO4)2 # Enthalpy of formation: 0 kcal/mol Cd3(PO4)2 - Cd3(PO4)2 +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Cd++ - log_k -7.8943 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd3(PO4)2 + Cd3(PO4)2 + 2 H+ = 2 HPO4-2 + 3 Cd+2 + log_k -7.8943 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd3(PO4)2 # Enthalpy of formation: 0 kcal/mol Cd3(SO4)(OH)4 - Cd3(SO4)(OH)4 +4.0000 H+ = + 1.0000 SO4-- + 3.0000 Cd++ + 4.0000 H2O - log_k 22.5735 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd3(SO4)(OH)4 + Cd3(SO4)(OH)4 + 4 H+ = SO4-2 + 3 Cd+2 + 4 H2O + log_k 22.5735 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd3(SO4)(OH)4 # Enthalpy of formation: 0 kcal/mol Cd3(SO4)2(OH)2 - Cd3(SO4)2(OH)2 +2.0000 H+ = + 2.0000 H2O + 2.0000 SO4-- + 3.0000 Cd++ - log_k 6.7180 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd3(SO4)2(OH)2 + Cd3(SO4)2(OH)2 + 2 H+ = 2 H2O + 2 SO4-2 + 3 Cd+2 + log_k 6.718 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd3(SO4)2(OH)2 # Enthalpy of formation: 0 kcal/mol CdBr2 - CdBr2 = + 1.0000 Cd++ + 2.0000 Br- - log_k -1.8470 - -delta_H -2.67548 kJ/mol # Calculated enthalpy of reaction CdBr2 + CdBr2 = Cd+2 + 2 Br- + log_k -1.847 + -delta_H -2.67548 kJ/mol # Calculated enthalpy of reaction CdBr2 # Enthalpy of formation: -316.229 kJ/mol - -analytic 1.3056e+000 -2.0628e-002 -1.3318e+003 3.0126e+000 -2.2616e+001 + -analytic 1.3056e+0 -2.0628e-2 -1.3318e+3 3.0126e+0 -2.2616e+1 # -Range: 0-200 CdBr2:4H2O - CdBr2:4H2O = + 1.0000 Cd++ + 2.0000 Br- + 4.0000 H2O - log_k -2.3378 - -delta_H 30.2812 kJ/mol # Calculated enthalpy of reaction CdBr2:4H2O + CdBr2:4H2O = Cd+2 + 2 Br- + 4 H2O + log_k -2.3378 + -delta_H 30.2812 kJ/mol # Calculated enthalpy of reaction CdBr2:4H2O # Enthalpy of formation: -1492.54 kJ/mol - -analytic -1.0038e+002 -2.1045e-002 1.6896e+003 3.9864e+001 2.8726e+001 + -analytic -1.0038e+2 -2.1045e-2 1.6896e+3 3.9864e+1 2.8726e+1 # -Range: 0-200 CdCl2 - CdCl2 = + 1.0000 Cd++ + 2.0000 Cl- - log_k -0.6474 - -delta_H -18.5391 kJ/mol # Calculated enthalpy of reaction CdCl2 + CdCl2 = Cd+2 + 2 Cl- + log_k -0.6474 + -delta_H -18.5391 kJ/mol # Calculated enthalpy of reaction CdCl2 # Enthalpy of formation: -391.518 kJ/mol - -analytic -1.5230e+001 -2.4574e-002 -8.1017e+001 8.9599e+000 -1.3702e+000 + -analytic -1.523e+1 -2.4574e-2 -8.1017e+1 8.9599e+0 -1.3702e+0 # -Range: 0-200 CdCl2(NH3)2 - CdCl2(NH3)2 = + 1.0000 Cd++ + 2.0000 Cl- + 2.0000 NH3 - log_k -8.7864 - -delta_H 63.534 kJ/mol # Calculated enthalpy of reaction CdCl2(NH3)2 + CdCl2(NH3)2 = Cd+2 + 2 Cl- + 2 NH3 + log_k -8.7864 + -delta_H 63.534 kJ/mol # Calculated enthalpy of reaction CdCl2(NH3)2 # Enthalpy of formation: -636.265 kJ/mol - -analytic -5.5283e+001 -2.1791e-002 -2.1150e+003 2.4279e+001 -3.5896e+001 + -analytic -5.5283e+1 -2.1791e-2 -2.115e+3 2.4279e+1 -3.5896e+1 # -Range: 0-200 CdCl2(NH3)4 - CdCl2(NH3)4 = + 1.0000 Cd++ + 2.0000 Cl- + 4.0000 NH3 - log_k -6.8044 - -delta_H 81.7931 kJ/mol # Calculated enthalpy of reaction CdCl2(NH3)4 + CdCl2(NH3)4 = Cd+2 + 2 Cl- + 4 NH3 + log_k -6.8044 + -delta_H 81.7931 kJ/mol # Calculated enthalpy of reaction CdCl2(NH3)4 # Enthalpy of formation: -817.198 kJ/mol - -analytic -9.5682e+001 -1.8853e-002 -8.3875e+002 3.9322e+001 -1.4210e+001 + -analytic -9.5682e+1 -1.8853e-2 -8.3875e+2 3.9322e+1 -1.421e+1 # -Range: 0-200 CdCl2(NH3)6 - CdCl2(NH3)6 = + 1.0000 Cd++ + 2.0000 Cl- + 6.0000 NH3 - log_k -4.7524 - -delta_H 97.2971 kJ/mol # Calculated enthalpy of reaction CdCl2(NH3)6 + CdCl2(NH3)6 = Cd+2 + 2 Cl- + 6 NH3 + log_k -4.7524 + -delta_H 97.2971 kJ/mol # Calculated enthalpy of reaction CdCl2(NH3)6 # Enthalpy of formation: -995.376 kJ/mol - -analytic -1.3662e+002 -1.5941e-002 5.8572e+002 5.4415e+001 9.9937e+000 + -analytic -1.3662e+2 -1.5941e-2 5.8572e+2 5.4415e+1 9.9937e+0 # -Range: 0-200 CdCl2:H2O - CdCl2:H2O = + 1.0000 Cd++ + 1.0000 H2O + 2.0000 Cl- - log_k -1.6747 - -delta_H -7.44943 kJ/mol # Calculated enthalpy of reaction CdCl2:H2O + CdCl2:H2O = Cd+2 + H2O + 2 Cl- + log_k -1.6747 + -delta_H -7.44943 kJ/mol # Calculated enthalpy of reaction CdCl2:H2O # Enthalpy of formation: -688.446 kJ/mol - -analytic -4.1097e+001 -2.4685e-002 5.2687e+002 1.8188e+001 8.9615e+000 + -analytic -4.1097e+1 -2.4685e-2 5.2687e+2 1.8188e+1 8.9615e+0 # -Range: 0-200 CdCr2O4 - CdCr2O4 +8.0000 H+ = + 1.0000 Cd++ + 2.0000 Cr+++ + 4.0000 H2O - log_k 14.9969 - -delta_H -255.676 kJ/mol # Calculated enthalpy of reaction CdCr2O4 + CdCr2O4 + 8 H+ = Cd+2 + 2 Cr+3 + 4 H2O + log_k 14.9969 + -delta_H -255.676 kJ/mol # Calculated enthalpy of reaction CdCr2O4 # Enthalpy of formation: -344.3 kcal/mol - -analytic -1.7446e+002 -9.1086e-003 1.9223e+004 5.1605e+001 3.2650e+002 + -analytic -1.7446e+2 -9.1086e-3 1.9223e+4 5.1605e+1 3.265e+2 # -Range: 0-200 CdF2 - CdF2 = + 1.0000 Cd++ + 2.0000 F- - log_k -1.1464 - -delta_H -46.064 kJ/mol # Calculated enthalpy of reaction CdF2 + CdF2 = Cd+2 + 2 F- + log_k -1.1464 + -delta_H -46.064 kJ/mol # Calculated enthalpy of reaction CdF2 # Enthalpy of formation: -700.529 kJ/mol - -analytic -3.0654e+001 -2.4790e-002 1.7893e+003 1.2482e+001 3.0395e+001 + -analytic -3.0654e+1 -2.479e-2 1.7893e+3 1.2482e+1 3.0395e+1 # -Range: 0-200 CdI2 - CdI2 = + 1.0000 Cd++ + 2.0000 I- - log_k -3.4825 - -delta_H 13.7164 kJ/mol # Calculated enthalpy of reaction CdI2 + CdI2 = Cd+2 + 2 I- + log_k -3.4825 + -delta_H 13.7164 kJ/mol # Calculated enthalpy of reaction CdI2 # Enthalpy of formation: -203.419 kJ/mol - -analytic -1.5446e+001 -2.4758e-002 -1.6422e+003 1.0041e+001 -2.7882e+001 + -analytic -1.5446e+1 -2.4758e-2 -1.6422e+3 1.0041e+1 -2.7882e+1 # -Range: 0-200 CdS - CdS +1.0000 H+ = + 1.0000 Cd++ + 1.0000 HS- - log_k -15.9095 - -delta_H 70.1448 kJ/mol # Calculated enthalpy of reaction CdS + CdS + H+ = Cd+2 + HS- + log_k -15.9095 + -delta_H 70.1448 kJ/mol # Calculated enthalpy of reaction CdS # Enthalpy of formation: -162.151 kJ/mol - -analytic -2.9492e+001 -1.5181e-002 -3.4695e+003 1.2019e+001 -5.8907e+001 + -analytic -2.9492e+1 -1.5181e-2 -3.4695e+3 1.2019e+1 -5.8907e+1 # -Range: 0-200 CdSO4 - CdSO4 = + 1.0000 Cd++ + 1.0000 SO4-- - log_k -0.1061 - -delta_H -52.1304 kJ/mol # Calculated enthalpy of reaction CdSO4 + CdSO4 = Cd+2 + SO4-2 + log_k -0.1061 + -delta_H -52.1304 kJ/mol # Calculated enthalpy of reaction CdSO4 # Enthalpy of formation: -933.369 kJ/mol - -analytic 7.7104e+000 -1.7161e-002 8.7067e+002 -2.2763e+000 1.4783e+001 + -analytic 7.7104e+0 -1.7161e-2 8.7067e+2 -2.2763e+0 1.4783e+1 # -Range: 0-200 CdSO4:2.667H2O - CdSO4:2.667H2O = + 1.0000 Cd++ + 1.0000 SO4-- + 2.6670 H2O - log_k -1.8015 - -delta_H -18.5302 kJ/mol # Calculated enthalpy of reaction CdSO4:2.667H2O + CdSO4:2.667H2O = Cd+2 + SO4-2 + 2.667 H2O + log_k -1.8015 + -delta_H -18.5302 kJ/mol # Calculated enthalpy of reaction CdSO4:2.667H2O # Enthalpy of formation: -1729.3 kJ/mol - -analytic -5.0331e+001 -1.4983e-002 2.0271e+003 1.8665e+001 3.4440e+001 + -analytic -5.0331e+1 -1.4983e-2 2.0271e+3 1.8665e+1 3.444e+1 # -Range: 0-200 CdSO4:H2O - CdSO4:H2O = + 1.0000 Cd++ + 1.0000 H2O + 1.0000 SO4-- - log_k -1.6529 - -delta_H -31.6537 kJ/mol # Calculated enthalpy of reaction CdSO4:H2O + CdSO4:H2O = Cd+2 + H2O + SO4-2 + log_k -1.6529 + -delta_H -31.6537 kJ/mol # Calculated enthalpy of reaction CdSO4:H2O # Enthalpy of formation: -1239.68 kJ/mol - -analytic -1.7142e+001 -1.7295e-002 9.9184e+002 6.9943e+000 1.6849e+001 + -analytic -1.7142e+1 -1.7295e-2 9.9184e+2 6.9943e+0 1.6849e+1 # -Range: 0-200 CdSeO3 - CdSeO3 = + 1.0000 Cd++ + 1.0000 SeO3-- - log_k -8.8086 - -delta_H -9.92156 kJ/mol # Calculated enthalpy of reaction CdSeO3 + CdSeO3 = Cd+2 + SeO3-2 + log_k -8.8086 + -delta_H -9.92156 kJ/mol # Calculated enthalpy of reaction CdSeO3 # Enthalpy of formation: -575.169 kJ/mol - -analytic 7.1762e+000 -1.8892e-002 -1.4680e+003 -2.1984e+000 -2.4932e+001 + -analytic 7.1762e+0 -1.8892e-2 -1.468e+3 -2.1984e+0 -2.4932e+1 # -Range: 0-200 CdSeO4 - CdSeO4 = + 1.0000 Cd++ + 1.0000 SeO4-- - log_k -2.2132 - -delta_H -41.9836 kJ/mol # Calculated enthalpy of reaction CdSeO4 + CdSeO4 = Cd+2 + SeO4-2 + log_k -2.2132 + -delta_H -41.9836 kJ/mol # Calculated enthalpy of reaction CdSeO4 # Enthalpy of formation: -633.063 kJ/mol - -analytic -4.9901e+000 -1.9755e-002 7.3162e+002 2.5063e+000 1.2426e+001 + -analytic -4.9901e+0 -1.9755e-2 7.3162e+2 2.5063e+0 1.2426e+1 # -Range: 0-200 CdSiO3 - CdSiO3 +2.0000 H+ = + 1.0000 Cd++ + 1.0000 H2O + 1.0000 SiO2 - log_k 7.5136 - -delta_H -50.3427 kJ/mol # Calculated enthalpy of reaction CdSiO3 + CdSiO3 + 2 H+ = Cd+2 + H2O + SiO2 + log_k 7.5136 + -delta_H -50.3427 kJ/mol # Calculated enthalpy of reaction CdSiO3 # Enthalpy of formation: -1189.09 kJ/mol - -analytic 2.6419e+002 6.2488e-002 -5.3518e+003 -1.0401e+002 -9.0973e+001 + -analytic 2.6419e+2 6.2488e-2 -5.3518e+3 -1.0401e+2 -9.0973e+1 # -Range: 0-200 Ce - Ce +3.0000 H+ +0.7500 O2 = + 1.0000 Ce+++ + 1.5000 H2O - log_k 182.9563 - -delta_H -1120.06 kJ/mol # Calculated enthalpy of reaction Ce + Ce + 3 H+ + 0.75 O2 = Ce+3 + 1.5 H2O + log_k 182.9563 + -delta_H -1120.06 kJ/mol # Calculated enthalpy of reaction Ce # Enthalpy of formation: 0 kJ/mol - -analytic -5.1017e+001 -2.6149e-002 5.8511e+004 1.8382e+001 9.1302e+002 + -analytic -5.1017e+1 -2.6149e-2 5.8511e+4 1.8382e+1 9.1302e+2 # -Range: 0-300 Ce(OH)3 - Ce(OH)3 +3.0000 H+ = + 1.0000 Ce+++ + 3.0000 H2O - log_k 19.8852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ce(OH)3 + Ce(OH)3 + 3 H+ = Ce+3 + 3 H2O + log_k 19.8852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ce(OH)3 # Enthalpy of formation: 0 kcal/mol Ce(OH)3(am) - Ce(OH)3 +3.0000 H+ = + 1.0000 Ce+++ + 3.0000 H2O - log_k 21.1852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ce(OH)3(am) + Ce(OH)3 + 3 H+ = Ce+3 + 3 H2O + log_k 21.1852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ce(OH)3(am) # Enthalpy of formation: 0 kcal/mol Ce2(CO3)3:8H2O - Ce2(CO3)3:8H2O +3.0000 H+ = + 2.0000 Ce+++ + 3.0000 HCO3- + 8.0000 H2O - log_k -4.1136 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ce2(CO3)3:8H2O + Ce2(CO3)3:8H2O + 3 H+ = 2 Ce+3 + 3 HCO3- + 8 H2O + log_k -4.1136 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ce2(CO3)3:8H2O # Enthalpy of formation: 0 kcal/mol Ce2O3 - Ce2O3 +6.0000 H+ = + 2.0000 Ce+++ + 3.0000 H2O - log_k 62.3000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ce2O3 + Ce2O3 + 6 H+ = 2 Ce+3 + 3 H2O + log_k 62.3 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ce2O3 # Enthalpy of formation: 0 kcal/mol Ce3(PO4)4 - Ce3(PO4)4 +4.0000 H+ = + 3.0000 Ce++++ + 4.0000 HPO4-- - log_k -40.8127 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ce3(PO4)4 + Ce3(PO4)4 + 4 H+ = 3 Ce+4 + 4 HPO4-2 + log_k -40.8127 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ce3(PO4)4 # Enthalpy of formation: 0 kcal/mol CeF3:.5H2O - CeF3:.5H2O = + 0.5000 H2O + 1.0000 Ce+++ + 3.0000 F- - log_k -18.8000 - -delta_H 0 # Not possible to calculate enthalpy of reaction CeF3:.5H2O + CeF3:.5H2O = 0.5 H2O + Ce+3 + 3 F- + log_k -18.8 + -delta_H 0 # Not possible to calculate enthalpy of reaction CeF3:.5H2O # Enthalpy of formation: 0 kcal/mol CeO2 - CeO2 +4.0000 H+ = + 1.0000 Ce++++ + 2.0000 H2O - log_k -8.1600 - -delta_H 0 # Not possible to calculate enthalpy of reaction CeO2 + CeO2 + 4 H+ = Ce+4 + 2 H2O + log_k -8.16 + -delta_H 0 # Not possible to calculate enthalpy of reaction CeO2 # Enthalpy of formation: 0 kcal/mol CePO4:10H2O - CePO4:10H2O +1.0000 H+ = + 1.0000 Ce+++ + 1.0000 HPO4-- + 10.0000 H2O - log_k -12.2782 - -delta_H 0 # Not possible to calculate enthalpy of reaction CePO4:10H2O + CePO4:10H2O + H+ = Ce+3 + HPO4-2 + 10 H2O + log_k -12.2782 + -delta_H 0 # Not possible to calculate enthalpy of reaction CePO4:10H2O # Enthalpy of formation: 0 kcal/mol Celadonite - KMgAlSi4O10(OH)2 +6.0000 H+ = + 1.0000 Al+++ + 1.0000 K+ + 1.0000 Mg++ + 4.0000 H2O + 4.0000 SiO2 - log_k 7.4575 - -delta_H -74.3957 kJ/mol # Calculated enthalpy of reaction Celadonite + KMgAlSi4O10(OH)2 + 6 H+ = Al+3 + K+ + Mg+2 + 4 H2O + 4 SiO2 + log_k 7.4575 + -delta_H -74.3957 kJ/mol # Calculated enthalpy of reaction Celadonite # Enthalpy of formation: -1394.9 kcal/mol - -analytic -3.3097e+001 1.7989e-002 1.8919e+004 -2.1219e+000 -2.0588e+006 + -analytic -3.3097e+1 1.7989e-2 1.8919e+4 -2.1219e+0 -2.0588e+6 # -Range: 0-300 Celestite - SrSO4 = + 1.0000 SO4-- + 1.0000 Sr++ - log_k -5.6771 - -delta_H -7.40568 kJ/mol # Calculated enthalpy of reaction Celestite + SrSO4 = SO4-2 + Sr+2 + log_k -5.6771 + -delta_H -7.40568 kJ/mol # Calculated enthalpy of reaction Celestite # Enthalpy of formation: -347.3 kcal/mol - -analytic -1.9063e+002 -7.4552e-002 3.9050e+003 7.8416e+001 6.0991e+001 + -analytic -1.9063e+2 -7.4552e-2 3.905e+3 7.8416e+1 6.0991e+1 # -Range: 0-300 Cerussite - PbCO3 +1.0000 H+ = + 1.0000 HCO3- + 1.0000 Pb++ - log_k -3.2091 - -delta_H 13.8992 kJ/mol # Calculated enthalpy of reaction Cerussite + PbCO3 + H+ = HCO3- + Pb+2 + log_k -3.2091 + -delta_H 13.8992 kJ/mol # Calculated enthalpy of reaction Cerussite # Enthalpy of formation: -168 kcal/mol - -analytic -1.2887e+002 -4.4372e-002 2.2336e+003 5.3091e+001 3.4891e+001 + -analytic -1.2887e+2 -4.4372e-2 2.2336e+3 5.3091e+1 3.4891e+1 # -Range: 0-300 Chalcanthite - CuSO4:5H2O = + 1.0000 Cu++ + 1.0000 SO4-- + 5.0000 H2O - log_k -2.6215 - -delta_H 6.57556 kJ/mol # Calculated enthalpy of reaction Chalcanthite + CuSO4:5H2O = Cu+2 + SO4-2 + 5 H2O + log_k -2.6215 + -delta_H 6.57556 kJ/mol # Calculated enthalpy of reaction Chalcanthite # Enthalpy of formation: -2279.68 kJ/mol - -analytic -1.1262e+002 -1.5544e-002 3.6176e+003 4.1420e+001 6.1471e+001 + -analytic -1.1262e+2 -1.5544e-2 3.6176e+3 4.142e+1 6.1471e+1 # -Range: 0-200 Chalcedony - SiO2 = + 1.0000 SiO2 - log_k -3.7281 - -delta_H 31.4093 kJ/mol # Calculated enthalpy of reaction Chalcedony + SiO2 = SiO2 + log_k -3.7281 + -delta_H 31.4093 kJ/mol # Calculated enthalpy of reaction Chalcedony # Enthalpy of formation: -217.282 kcal/mol - -analytic -9.0068e+000 9.3241e-003 4.0535e+003 -1.0830e+000 -7.5077e+005 + -analytic -9.0068e+0 9.3241e-3 4.0535e+3 -1.083e+0 -7.5077e+5 # -Range: 0-300 Chalcocite - Cu2S +1.0000 H+ = + 1.0000 HS- + 2.0000 Cu+ - log_k -34.7342 - -delta_H 206.748 kJ/mol # Calculated enthalpy of reaction Chalcocite + Cu2S + H+ = HS- + 2 Cu+ + log_k -34.7342 + -delta_H 206.748 kJ/mol # Calculated enthalpy of reaction Chalcocite # Enthalpy of formation: -19 kcal/mol - -analytic -1.3703e+002 -4.0727e-002 -7.1694e+003 5.5963e+001 -1.1183e+002 + -analytic -1.3703e+2 -4.0727e-2 -7.1694e+3 5.5963e+1 -1.1183e+2 # -Range: 0-300 Chalcocyanite - CuSO4 = + 1.0000 Cu++ + 1.0000 SO4-- - log_k 2.9239 - -delta_H -72.5128 kJ/mol # Calculated enthalpy of reaction Chalcocyanite + CuSO4 = Cu+2 + SO4-2 + log_k 2.9239 + -delta_H -72.5128 kJ/mol # Calculated enthalpy of reaction Chalcocyanite # Enthalpy of formation: -771.4 kJ/mol - -analytic 5.8173e+000 -1.6933e-002 2.0097e+003 -1.8583e+000 3.4126e+001 + -analytic 5.8173e+0 -1.6933e-2 2.0097e+3 -1.8583e+0 3.4126e+1 # -Range: 0-200 Chalcopyrite - CuFeS2 +2.0000 H+ = + 1.0000 Cu++ + 1.0000 Fe++ + 2.0000 HS- - log_k -32.5638 - -delta_H 127.206 kJ/mol # Calculated enthalpy of reaction Chalcopyrite + CuFeS2 + 2 H+ = Cu+2 + Fe+2 + 2 HS- + log_k -32.5638 + -delta_H 127.206 kJ/mol # Calculated enthalpy of reaction Chalcopyrite # Enthalpy of formation: -44.453 kcal/mol - -analytic -3.1575e+002 -9.8947e-002 8.3400e+002 1.2522e+002 1.3106e+001 + -analytic -3.1575e+2 -9.8947e-2 8.34e+2 1.2522e+2 1.3106e+1 # -Range: 0-300 Chamosite-7A - Fe2Al2SiO5(OH)4 +10.0000 H+ = + 1.0000 SiO2 + 2.0000 Al+++ + 2.0000 Fe++ + 7.0000 H2O - log_k 32.8416 - -delta_H -364.213 kJ/mol # Calculated enthalpy of reaction Chamosite-7A + Fe2Al2SiO5(OH)4 + 10 H+ = SiO2 + 2 Al+3 + 2 Fe+2 + 7 H2O + log_k 32.8416 + -delta_H -364.213 kJ/mol # Calculated enthalpy of reaction Chamosite-7A # Enthalpy of formation: -902.407 kcal/mol - -analytic -2.5581e+002 -7.0890e-002 2.4619e+004 9.1789e+001 3.8424e+002 + -analytic -2.5581e+2 -7.089e-2 2.4619e+4 9.1789e+1 3.8424e+2 # -Range: 0-300 Chlorargyrite - AgCl = + 1.0000 Ag+ + 1.0000 Cl- - log_k -9.7453 - -delta_H 65.739 kJ/mol # Calculated enthalpy of reaction Chlorargyrite + AgCl = Ag+ + Cl- + log_k -9.7453 + -delta_H 65.739 kJ/mol # Calculated enthalpy of reaction Chlorargyrite # Enthalpy of formation: -30.37 kcal/mol - -analytic -9.6834e+001 -3.4624e-002 -1.1820e+003 4.0962e+001 -1.8415e+001 + -analytic -9.6834e+1 -3.4624e-2 -1.182e+3 4.0962e+1 -1.8415e+1 # -Range: 0-300 Chloromagnesite - MgCl2 = + 1.0000 Mg++ + 2.0000 Cl- - log_k 21.8604 - -delta_H -158.802 kJ/mol # Calculated enthalpy of reaction Chloromagnesite + MgCl2 = Mg+2 + 2 Cl- + log_k 21.8604 + -delta_H -158.802 kJ/mol # Calculated enthalpy of reaction Chloromagnesite # Enthalpy of formation: -641.317 kJ/mol - -analytic -2.3640e+002 -8.2017e-002 1.3480e+004 9.5963e+001 2.1042e+002 + -analytic -2.364e+2 -8.2017e-2 1.348e+4 9.5963e+1 2.1042e+2 # -Range: 0-300 Chromite - FeCr2O4 +8.0000 H+ = + 1.0000 Fe++ + 2.0000 Cr+++ + 4.0000 H2O - log_k 15.1685 - -delta_H -267.755 kJ/mol # Calculated enthalpy of reaction Chromite + FeCr2O4 + 8 H+ = Fe+2 + 2 Cr+3 + 4 H2O + log_k 15.1685 + -delta_H -267.755 kJ/mol # Calculated enthalpy of reaction Chromite # Enthalpy of formation: -1444.83 kJ/mol - -analytic -1.9060e+002 -2.5695e-002 1.9465e+004 5.9865e+001 3.0379e+002 + -analytic -1.906e+2 -2.5695e-2 1.9465e+4 5.9865e+1 3.0379e+2 # -Range: 0-300 Chrysocolla - CuSiH4O5 +2.0000 H+ = + 1.0000 Cu++ + 1.0000 SiO2 + 3.0000 H2O - log_k 6.2142 - -delta_H 0 # Not possible to calculate enthalpy of reaction Chrysocolla + CuSiH4O5 + 2 H+ = Cu+2 + SiO2 + 3 H2O + log_k 6.2142 + -delta_H 0 # Not possible to calculate enthalpy of reaction Chrysocolla # Enthalpy of formation: 0 kcal/mol Chrysotile - Mg3Si2O5(OH)4 +6.0000 H+ = + 2.0000 SiO2 + 3.0000 Mg++ + 5.0000 H2O - log_k 31.1254 - -delta_H -218.041 kJ/mol # Calculated enthalpy of reaction Chrysotile + Mg3Si2O5(OH)4 + 6 H+ = 2 SiO2 + 3 Mg+2 + 5 H2O + log_k 31.1254 + -delta_H -218.041 kJ/mol # Calculated enthalpy of reaction Chrysotile # Enthalpy of formation: -1043.12 kcal/mol - -analytic -9.2462e+001 -1.1359e-002 1.8312e+004 2.9289e+001 -6.2342e+005 + -analytic -9.2462e+1 -1.1359e-2 1.8312e+4 2.9289e+1 -6.2342e+5 # -Range: 0-300 Cinnabar - HgS +1.0000 H+ = + 1.0000 HS- + 1.0000 Hg++ - log_k -38.9666 - -delta_H 207.401 kJ/mol # Calculated enthalpy of reaction Cinnabar + HgS + H+ = HS- + Hg+2 + log_k -38.9666 + -delta_H 207.401 kJ/mol # Calculated enthalpy of reaction Cinnabar # Enthalpy of formation: -12.75 kcal/mol - -analytic -1.5413e+002 -4.6846e-002 -6.9806e+003 6.1639e+001 -1.0888e+002 + -analytic -1.5413e+2 -4.6846e-2 -6.9806e+3 6.1639e+1 -1.0888e+2 # -Range: 0-300 Claudetite - As2O3 +3.0000 H2O = + 2.0000 H+ + 2.0000 H2AsO3- - log_k -19.7647 - -delta_H 82.3699 kJ/mol # Calculated enthalpy of reaction Claudetite + As2O3 + 3 H2O = 2 H+ + 2 H2AsO3- + log_k -19.7647 + -delta_H 82.3699 kJ/mol # Calculated enthalpy of reaction Claudetite # Enthalpy of formation: -654.444 kJ/mol - -analytic -1.4164e+002 -6.3704e-002 -2.1679e+003 5.9856e+001 -3.3787e+001 + -analytic -1.4164e+2 -6.3704e-2 -2.1679e+3 5.9856e+1 -3.3787e+1 # -Range: 0-300 Clausthalite - PbSe = + 1.0000 Pb++ + 1.0000 Se-- - log_k -36.2531 - -delta_H 0 # Not possible to calculate enthalpy of reaction Clausthalite + PbSe = Pb+2 + Se-2 + log_k -36.2531 + -delta_H 0 # Not possible to calculate enthalpy of reaction Clausthalite # Enthalpy of formation: -102.9 kJ/mol - -analytic -2.6473e+001 -1.0666e-002 -8.5540e+003 8.9226e+000 -1.3347e+002 + -analytic -2.6473e+1 -1.0666e-2 -8.554e+3 8.9226e+0 -1.3347e+2 # -Range: 0-300 Clinochalcomenite - CuSeO3:2H2O = + 1.0000 Cu++ + 1.0000 SeO3-- + 2.0000 H2O - log_k -6.7873 - -delta_H -31.6645 kJ/mol # Calculated enthalpy of reaction Clinochalcomenite + CuSeO3:2H2O = Cu+2 + SeO3-2 + 2 H2O + log_k -6.7873 + -delta_H -31.6645 kJ/mol # Calculated enthalpy of reaction Clinochalcomenite # Enthalpy of formation: -235.066 kcal/mol - -analytic -4.6465e+001 -1.8071e-002 2.0307e+003 1.5455e+001 3.4499e+001 + -analytic -4.6465e+1 -1.8071e-2 2.0307e+3 1.5455e+1 3.4499e+1 # -Range: 0-200 Clinochlore-14A - Mg5Al2Si3O10(OH)8 +16.0000 H+ = + 2.0000 Al+++ + 3.0000 SiO2 + 5.0000 Mg++ + 12.0000 H2O - log_k 67.2391 - -delta_H -612.379 kJ/mol # Calculated enthalpy of reaction Clinochlore-14A + Mg5Al2Si3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Mg+2 + 12 H2O + log_k 67.2391 + -delta_H -612.379 kJ/mol # Calculated enthalpy of reaction Clinochlore-14A # Enthalpy of formation: -2116.96 kcal/mol - -analytic -2.0441e+002 -6.2268e-002 3.5388e+004 6.9239e+001 5.5225e+002 + -analytic -2.0441e+2 -6.2268e-2 3.5388e+4 6.9239e+1 5.5225e+2 # -Range: 0-300 Clinochlore-7A - Mg5Al2Si3O10(OH)8 +16.0000 H+ = + 2.0000 Al+++ + 3.0000 SiO2 + 5.0000 Mg++ + 12.0000 H2O - log_k 70.6124 - -delta_H -628.14 kJ/mol # Calculated enthalpy of reaction Clinochlore-7A + Mg5Al2Si3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Mg+2 + 12 H2O + log_k 70.6124 + -delta_H -628.14 kJ/mol # Calculated enthalpy of reaction Clinochlore-7A # Enthalpy of formation: -2113.2 kcal/mol - -analytic -2.1644e+002 -6.4187e-002 3.6548e+004 7.4123e+001 5.7037e+002 + -analytic -2.1644e+2 -6.4187e-2 3.6548e+4 7.4123e+1 5.7037e+2 # -Range: 0-300 Clinoptilolite # Na.954K.543Ca.761Mg.124Sr.036Ba.062Mn.002Al3.45F +13.8680 H+ = + 0.0020 Mn++ + 0.0170 Fe+++ + 0.0360 Sr++ + 0.0620 Ba++ + 0.1240 Mg++ + 0.5430 K+ + 0.7610 Ca++ + 0.9540 Na+ + 3.4500 Al+++ + 14.5330 SiO2 17.8560 H2O - Na.954K.543Ca.761Mg.124Sr.036Ba.062Mn.002Al3.45Fe.017Si14.5330O46.922H21.844 +13.8680 H+ = + 0.0020 Mn++ + 0.0170 Fe+++ + 0.0360 Sr++ + 0.0620 Ba++ + 0.1240 Mg++ + 0.5430 K+ + 0.7610 Ca++ + 0.9540 Na+ + 3.4500 Al+++ + 14.5330 SiO2 + 17.8560 H2O - log_k -9.7861 - -delta_H -20.8784 kJ/mol # Calculated enthalpy of reaction Clinoptilolite + Na.954K.543Ca.761Mg.124Sr.036Ba.062Mn.002Al3.45Fe.017Si14.533O46.922H21.844 + 13.868 H+ = 0.002 Mn+2 + 0.017 Fe+3 + 0.036 Sr+2 + 0.062 Ba+2 + 0.124 Mg+2 + 0.543 K+ + 0.761 Ca+2 + 0.954 Na+ + 3.45 Al+3 + 14.533 SiO2 + 17.856 H2O + log_k -9.7861 + -delta_H -20.8784 kJ/mol # Calculated enthalpy of reaction Clinoptilolite # Enthalpy of formation: -20587.8 kJ/mol - -analytic -1.3213e+000 6.4960e-002 5.0630e+004 -4.6120e+001 -7.4699e+006 + -analytic -1.3213e+0 6.496e-2 5.063e+4 -4.612e+1 -7.4699e+6 # -Range: 0-300 Clinoptilolite-Ca - Ca1.7335Al3.45Fe.017Si14.533O36:10.922H2O +13.8680 H+ = + 0.0170 Fe+++ + 1.7335 Ca++ + 3.4500 Al+++ + 14.5330 SiO2 + 17.8560 H2O - log_k -7.0095 - -delta_H -74.6745 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-Ca + Ca1.7335Al3.45Fe.017Si14.533O36:10.922H2O + 13.868 H+ = 0.017 Fe+3 + 1.7335 Ca+2 + 3.45 Al+3 + 14.533 SiO2 + 17.856 H2O + log_k -7.0095 + -delta_H -74.6745 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-Ca # Enthalpy of formation: -4919.84 kcal/mol - -analytic -4.4820e+001 5.3696e-002 5.4878e+004 -3.1459e+001 -7.5491e+006 + -analytic -4.482e+1 5.3696e-2 5.4878e+4 -3.1459e+1 -7.5491e+6 # -Range: 0-300 Clinoptilolite-Cs - Cs3.467Al3.45Fe.017Si14.533O36:10.922H2O +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Cs+ + 14.5330 SiO2 + 17.8560 H2O - log_k -13.0578 - -delta_H 96.9005 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-Cs + Cs3.467Al3.45Fe.017Si14.533O36:10.922H2O + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 Cs+ + 14.533 SiO2 + 17.856 H2O + log_k -13.0578 + -delta_H 96.9005 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-Cs # Enthalpy of formation: -4949.65 kcal/mol - -analytic -8.4746e+000 7.1997e-002 4.9675e+004 -4.1406e+001 -8.0632e+006 + -analytic -8.4746e+0 7.1997e-2 4.9675e+4 -4.1406e+1 -8.0632e+6 # -Range: 0-300 Clinoptilolite-K - K3.467Al3.45Fe.017Si14.533O36:10.922H2O +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 K+ + 14.5330 SiO2 + 17.8560 H2O - log_k -10.9485 - -delta_H 67.4862 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-K + K3.467Al3.45Fe.017Si14.533O36:10.922H2O + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 K+ + 14.533 SiO2 + 17.856 H2O + log_k -10.9485 + -delta_H 67.4862 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-K # Enthalpy of formation: -4937.77 kcal/mol - -analytic 1.1697e+001 6.9480e-002 4.7718e+004 -4.7442e+001 -7.6907e+006 + -analytic 1.1697e+1 6.948e-2 4.7718e+4 -4.7442e+1 -7.6907e+6 # -Range: 0-300 Clinoptilolite-NH4 - (NH4)3.467Al3.45Fe.017Si14.533O36:10.922H2O +10.4010 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 NH3 + 14.5330 SiO2 + 17.8560 H2O - log_k -42.4791 - -delta_H 0 # Not possible to calculate enthalpy of reaction Clinoptilolite-NH4 + (NH4)3.467Al3.45Fe.017Si14.533O36:10.922H2O + 10.401 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 NH3 + 14.533 SiO2 + 17.856 H2O + log_k -42.4791 + -delta_H 0 # Not possible to calculate enthalpy of reaction Clinoptilolite-NH4 # Enthalpy of formation: 0 kcal/mol Clinoptilolite-Na - Na3.467Al3.45Fe.017Si14.533O36:10.922H2O +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Na+ + 14.5330 SiO2 + 17.8560 H2O - log_k -7.1363 - -delta_H 2.32824 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-Na + Na3.467Al3.45Fe.017Si14.533O36:10.922H2O + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 Na+ + 14.533 SiO2 + 17.856 H2O + log_k -7.1363 + -delta_H 2.32824 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-Na # Enthalpy of formation: -4912.36 kcal/mol - -analytic -3.4572e+001 6.8377e-002 5.1962e+004 -3.3426e+001 -7.5586e+006 + -analytic -3.4572e+1 6.8377e-2 5.1962e+4 -3.3426e+1 -7.5586e+6 # -Range: 0-300 Clinoptilolite-Sr - Sr1.7335Al3.45Fe.017Si14.533O36:10.922H2O +13.8680 H+ = + 0.0170 Fe+++ + 1.7335 Sr++ + 3.4500 Al+++ + 14.5330 SiO2 + 17.8560 H2O - log_k -7.1491 - -delta_H -66.2129 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-Sr + Sr1.7335Al3.45Fe.017Si14.533O36:10.922H2O + 13.868 H+ = 0.017 Fe+3 + 1.7335 Sr+2 + 3.45 Al+3 + 14.533 SiO2 + 17.856 H2O + log_k -7.1491 + -delta_H -66.2129 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-Sr # Enthalpy of formation: -4925.1 kcal/mol - -analytic 3.2274e+001 6.7050e-002 5.0880e+004 -5.9597e+001 -7.3876e+006 + -analytic 3.2274e+1 6.705e-2 5.088e+4 -5.9597e+1 -7.3876e+6 # -Range: 0-300 Clinoptilolite-dehy # Sr.036Mg.124Ca.761Mn.002Ba.062K.543Na.954Al3.45F +13.8680 H+ = + 0.0020 Mn++ + 0.0170 Fe+++ + 0.0360 Sr++ + 0.0620 Ba++ + 0.1240 Mg++ + 0.5430 K+ + 0.7610 Ca++ + 0.9540 Na+ + 3.4500 Al+++ + 6.9340 H2O 14.5330 SiO2 - Sr.036Mg.124Ca.761Mn.002Ba.062K.543Na.954Al3.45Fe.017Si14.533O36 +13.8680 H+ = + 0.0020 Mn++ + 0.0170 Fe+++ + 0.0360 Sr++ + 0.0620 Ba++ + 0.1240 Mg++ + 0.5430 K+ + 0.7610 Ca++ + 0.9540 Na+ + 3.4500 Al+++ + 6.9340 H2O + 14.5330 SiO2 - log_k 25.8490 - -delta_H -276.592 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy + Sr.036Mg.124Ca.761Mn.002Ba.062K.543Na.954Al3.45Fe.017Si14.533O36 + 13.868 H+ = 0.002 Mn+2 + 0.017 Fe+3 + 0.036 Sr+2 + 0.062 Ba+2 + 0.124 Mg+2 + 0.543 K+ + 0.761 Ca+2 + 0.954 Na+ + 3.45 Al+3 + 6.934 H2O + 14.533 SiO2 + log_k 25.849 + -delta_H -276.592 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy # Enthalpy of formation: -17210.2 kJ/mol - -analytic -2.0505e+002 6.0155e-002 8.2682e+004 1.5333e+001 -9.1369e+006 + -analytic -2.0505e+2 6.0155e-2 8.2682e+4 1.5333e+1 -9.1369e+6 # -Range: 0-300 Clinoptilolite-dehy-Ca - Ca1.7335Al3.45Fe.017Si14.533O36 +13.8680 H+ = + 0.0170 Fe+++ + 1.7335 Ca++ + 3.4500 Al+++ + 6.9340 H2O + 14.5330 SiO2 - log_k 28.6255 - -delta_H -329.278 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy-Ca + Ca1.7335Al3.45Fe.017Si14.533O36 + 13.868 H+ = 0.017 Fe+3 + 1.7335 Ca+2 + 3.45 Al+3 + 6.934 H2O + 14.533 SiO2 + log_k 28.6255 + -delta_H -329.278 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy-Ca # Enthalpy of formation: -4112.83 kcal/mol - -analytic -1.2948e+002 6.5698e-002 8.0229e+004 -1.2812e+001 -8.8320e+006 + -analytic -1.2948e+2 6.5698e-2 8.0229e+4 -1.2812e+1 -8.832e+6 # -Range: 0-300 Clinoptilolite-dehy-Cs - Cs3.467Al3.45Fe.017Si14.533O36 +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Cs+ + 6.9340 H2O + 14.5330 SiO2 - log_k 22.5771 - -delta_H -164.837 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy-Cs + Cs3.467Al3.45Fe.017Si14.533O36 + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 Cs+ + 6.934 H2O + 14.533 SiO2 + log_k 22.5771 + -delta_H -164.837 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy-Cs # Enthalpy of formation: -4140.93 kcal/mol - -analytic -1.2852e+002 7.9047e-002 7.7262e+004 -1.0422e+001 -9.4504e+006 + -analytic -1.2852e+2 7.9047e-2 7.7262e+4 -1.0422e+1 -9.4504e+6 # -Range: 0-300 Clinoptilolite-dehy-K - K3.467Al3.45Fe.017Si14.533O36 +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 K+ + 6.9340 H2O + 14.5330 SiO2 - log_k 24.6865 - -delta_H -191.289 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy-K + K3.467Al3.45Fe.017Si14.533O36 + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 K+ + 6.934 H2O + 14.533 SiO2 + log_k 24.6865 + -delta_H -191.289 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy-K # Enthalpy of formation: -4129.76 kcal/mol - -analytic -1.2241e+002 7.4761e-002 7.6067e+004 -1.1315e+001 -9.1389e+006 + -analytic -1.2241e+2 7.4761e-2 7.6067e+4 -1.1315e+1 -9.1389e+6 # -Range: 0-300 Clinoptilolite-dehy-NH4 - (NH4)3.467Al3.45Fe.017Si14.533O36 +10.4010 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 NH3 + 6.9340 H2O + 14.5330 SiO2 - log_k -6.8441 - -delta_H 0 # Not possible to calculate enthalpy of reaction Clinoptilolite-dehy-NH4 + (NH4)3.467Al3.45Fe.017Si14.533O36 + 10.401 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 NH3 + 6.934 H2O + 14.533 SiO2 + log_k -6.8441 + -delta_H 0 # Not possible to calculate enthalpy of reaction Clinoptilolite-dehy-NH4 # Enthalpy of formation: 0 kcal/mol Clinoptilolite-dehy-Na - Na3.467Al3.45Fe.017Si14.533O36 +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Na+ + 6.9340 H2O + 14.5330 SiO2 - log_k 28.4987 - -delta_H -253.798 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy-Na + Na3.467Al3.45Fe.017Si14.533O36 + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 Na+ + 6.934 H2O + 14.533 SiO2 + log_k 28.4987 + -delta_H -253.798 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy-Na # Enthalpy of formation: -4104.98 kcal/mol - -analytic -1.4386e+002 7.6846e-002 7.8723e+004 -5.9741e+000 -8.9159e+006 + -analytic -1.4386e+2 7.6846e-2 7.8723e+4 -5.9741e+0 -8.9159e+6 # -Range: 0-300 Clinoptilolite-dehy-Sr - Sr1.7335Al3.45Fe.017Si14.533O36 +13.8680 H+ = + 0.0170 Fe+++ + 1.7335 Sr++ + 3.4500 Al+++ + 6.9340 H2O + 14.5330 SiO2 - log_k 28.4859 - -delta_H -321.553 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy-Sr + Sr1.7335Al3.45Fe.017Si14.533O36 + 13.868 H+ = 0.017 Fe+3 + 1.7335 Sr+2 + 3.45 Al+3 + 6.934 H2O + 14.533 SiO2 + log_k 28.4859 + -delta_H -321.553 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy-Sr # Enthalpy of formation: -4117.92 kcal/mol - -analytic -1.8410e+002 6.0457e-002 8.3626e+004 6.4304e+000 -9.0962e+006 + -analytic -1.841e+2 6.0457e-2 8.3626e+4 6.4304e+0 -9.0962e+6 # -Range: 0-300 Clinoptilolite-hy-Ca # Ca1.7335Al3.45Fe.017Si14.533036 +13.8680 H+ = + 0.0170 Fe+++ + 1.7335 Ca++ + 3.4500 Al+++ + 14.5330 SiO2 + 18.5790 H2O - Ca1.7335Al3.45Fe.017Si14.533O36:11.645H2O +13.8680 H+ = + 0.0170 Fe+++ + 1.7335 Ca++ + 3.4500 Al+++ + 14.5330 SiO2 + 18.5790 H2O - log_k -7.0108 - -delta_H -65.4496 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-hy-Ca + Ca1.7335Al3.45Fe.017Si14.533O36:11.645H2O + 13.868 H+ = 0.017 Fe+3 + 1.7335 Ca+2 + 3.45 Al+3 + 14.533 SiO2 + 18.579 H2O + log_k -7.0108 + -delta_H -65.4496 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-hy-Ca # Enthalpy of formation: -4971.44 kcal/mol - -analytic 8.6833e+001 7.1520e-002 4.6854e+004 -7.8023e+001 -7.0900e+006 + -analytic 8.6833e+1 7.152e-2 4.6854e+4 -7.8023e+1 -7.09e+6 # -Range: 0-300 Clinoptilolite-hy-Cs # Cs3.467Al3.45Fe.017Si14.533036 +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Cs+ + 13.1640 H2O + 14.5330 SiO2 - Cs3.467Al3.45Fe.017Si14.533O36:6.23H2O +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Cs+ + 13.1640 H2O + 14.5330 SiO2 - log_k -13.0621 - -delta_H 44.6397 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-hy-Cs + Cs3.467Al3.45Fe.017Si14.533O36:6.23H2O + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 Cs+ + 13.164 H2O + 14.533 SiO2 + log_k -13.0621 + -delta_H 44.6397 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-hy-Cs # Enthalpy of formation: -4616.61 kcal/mol - -analytic -2.3362e+001 7.4922e-002 5.4544e+004 -4.1092e+001 -8.3387e+006 + -analytic -2.3362e+1 7.4922e-2 5.4544e+4 -4.1092e+1 -8.3387e+6 # -Range: 0-300 Clinoptilolite-hy-K # K3.467Al3.45Fe.017Si14.533036 +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 K+ + 14.4330 H2O + 14.5330 SiO2 - K3.467Al3.45Fe.017Si14.533O36:7.499H2O +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 K+ + 14.4330 H2O + 14.5330 SiO2 - log_k -10.9523 - -delta_H 29.5879 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-hy-K + K3.467Al3.45Fe.017Si14.533O36:7.499H2O + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 K+ + 14.433 H2O + 14.533 SiO2 + log_k -10.9523 + -delta_H 29.5879 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-hy-K # Enthalpy of formation: -4694.86 kcal/mol - -analytic 1.6223e+001 7.3919e-002 5.0447e+004 -5.2790e+001 -7.8484e+006 + -analytic 1.6223e+1 7.3919e-2 5.0447e+4 -5.279e+1 -7.8484e+6 # -Range: 0-300 Clinoptilolite-hy-Na # Na3.467Al3.45Fe.017Si14.533036 +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Na+ + 14.5330 SiO2 + 17.8110 H2O - Na3.467Al3.45Fe.017Si14.533O36:10.877H2O +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Na+ + 14.5330 SiO2 + 17.8110 H2O - log_k -7.1384 - -delta_H 1.88166 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-hy-Na + Na3.467Al3.45Fe.017Si14.533O36:10.877H2O + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 Na+ + 14.533 SiO2 + 17.811 H2O + log_k -7.1384 + -delta_H 1.88166 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-hy-Na # Enthalpy of formation: -4909.18 kcal/mol - -analytic -8.4189e+000 7.2018e-002 5.0501e+004 -4.2851e+001 -7.4714e+006 + -analytic -8.4189e+0 7.2018e-2 5.0501e+4 -4.2851e+1 -7.4714e+6 # -Range: 0-300 Clinoptilolite-hy-Sr # Sr1.7335Al3.45Fe.017Si14.533036 +13.8680 H+ = + 0.0170 Fe+++ + 1.7335 Sr++ + 3.4500 Al+++ + 14.5330 SiO2 + 20.8270 H2O - Sr1.7335Al3.45Fe.017Si14.533O36:13.893H2O +13.8680 H+ = + 0.0170 Fe+++ + 1.7335 Sr++ + 3.4500 Al+++ + 14.5330 SiO2 + 20.8270 H2O - log_k -7.1498 - -delta_H -31.6858 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-hy-Sr + Sr1.7335Al3.45Fe.017Si14.533O36:13.893H2O + 13.868 H+ = 0.017 Fe+3 + 1.7335 Sr+2 + 3.45 Al+3 + 14.533 SiO2 + 20.827 H2O + log_k -7.1498 + -delta_H -31.6858 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-hy-Sr # Enthalpy of formation: -5136.33 kcal/mol - -analytic 1.0742e-001 5.9065e-002 4.9985e+004 -4.4648e+001 -7.3382e+006 + -analytic 1.0742e-1 5.9065e-2 4.9985e+4 -4.4648e+1 -7.3382e+6 # -Range: 0-300 Clinozoisite - Ca2Al3Si3O12(OH) +13.0000 H+ = + 2.0000 Ca++ + 3.0000 Al+++ + 3.0000 SiO2 + 7.0000 H2O - log_k 43.2569 - -delta_H -457.755 kJ/mol # Calculated enthalpy of reaction Clinozoisite + Ca2Al3Si3O12(OH) + 13 H+ = 2 Ca+2 + 3 Al+3 + 3 SiO2 + 7 H2O + log_k 43.2569 + -delta_H -457.755 kJ/mol # Calculated enthalpy of reaction Clinozoisite # Enthalpy of formation: -1643.78 kcal/mol - -analytic -2.8690e+001 -3.7056e-002 2.2770e+004 3.7880e+000 -2.5834e+005 + -analytic -2.869e+1 -3.7056e-2 2.277e+4 3.788e+0 -2.5834e+5 # -Range: 0-300 Co - Co +2.0000 H+ +0.5000 O2 = + 1.0000 Co++ + 1.0000 H2O - log_k 52.5307 - -delta_H -337.929 kJ/mol # Calculated enthalpy of reaction Co + Co + 2 H+ + 0.5 O2 = Co+2 + H2O + log_k 52.5307 + -delta_H -337.929 kJ/mol # Calculated enthalpy of reaction Co # Enthalpy of formation: 0 kJ/mol - -analytic -6.2703e+001 -2.0172e-002 1.8888e+004 2.3391e+001 2.9474e+002 + -analytic -6.2703e+1 -2.0172e-2 1.8888e+4 2.3391e+1 2.9474e+2 # -Range: 0-300 Co(NO3)2 - Co(NO3)2 = + 1.0000 Co++ + 2.0000 NO3- - log_k 8.0000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Co(NO3)2 + Co(NO3)2 = Co+2 + 2 NO3- + log_k 8 + -delta_H 0 # Not possible to calculate enthalpy of reaction Co(NO3)2 # Enthalpy of formation: 0 kcal/mol Co(OH)2 - Co(OH)2 +2.0000 H+ = + 1.0000 Co++ + 2.0000 H2O - log_k 12.3000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Co(OH)2 + Co(OH)2 + 2 H+ = Co+2 + 2 H2O + log_k 12.3 + -delta_H 0 # Not possible to calculate enthalpy of reaction Co(OH)2 # Enthalpy of formation: 0 kcal/mol Co2SiO4 - Co2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 Co++ + 2.0000 H2O - log_k 6.6808 - -delta_H -88.6924 kJ/mol # Calculated enthalpy of reaction Co2SiO4 + Co2SiO4 + 4 H+ = SiO2 + 2 Co+2 + 2 H2O + log_k 6.6808 + -delta_H -88.6924 kJ/mol # Calculated enthalpy of reaction Co2SiO4 # Enthalpy of formation: -353.011 kcal/mol - -analytic -3.9978e+000 -3.7985e-003 5.1554e+003 -1.5033e+000 -1.6100e+005 + -analytic -3.9978e+0 -3.7985e-3 5.1554e+3 -1.5033e+0 -1.61e+5 # -Range: 0-300 Co3(AsO4)2 - Co3(AsO4)2 +4.0000 H+ = + 2.0000 H2AsO4- + 3.0000 Co++ - log_k 8.5318 - -delta_H 0 # Not possible to calculate enthalpy of reaction Co3(AsO4)2 + Co3(AsO4)2 + 4 H+ = 2 H2AsO4- + 3 Co+2 + log_k 8.5318 + -delta_H 0 # Not possible to calculate enthalpy of reaction Co3(AsO4)2 # Enthalpy of formation: 0 kcal/mol Co3(PO4)2 - Co3(PO4)2 +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Co++ - log_k -10.0123 - -delta_H 0 # Not possible to calculate enthalpy of reaction Co3(PO4)2 + Co3(PO4)2 + 2 H+ = 2 HPO4-2 + 3 Co+2 + log_k -10.0123 + -delta_H 0 # Not possible to calculate enthalpy of reaction Co3(PO4)2 # Enthalpy of formation: 0 kcal/mol CoCl2 - CoCl2 = + 1.0000 Co++ + 2.0000 Cl- - log_k 8.2641 - -delta_H -79.5949 kJ/mol # Calculated enthalpy of reaction CoCl2 + CoCl2 = Co+2 + 2 Cl- + log_k 8.2641 + -delta_H -79.5949 kJ/mol # Calculated enthalpy of reaction CoCl2 # Enthalpy of formation: -312.722 kJ/mol - -analytic -2.2386e+002 -8.0936e-002 8.8631e+003 9.1528e+001 1.3837e+002 + -analytic -2.2386e+2 -8.0936e-2 8.8631e+3 9.1528e+1 1.3837e+2 # -Range: 0-300 CoCl2:2H2O - CoCl2:2H2O = + 1.0000 Co++ + 2.0000 Cl- + 2.0000 H2O - log_k 4.6661 - -delta_H -40.7876 kJ/mol # Calculated enthalpy of reaction CoCl2:2H2O + CoCl2:2H2O = Co+2 + 2 Cl- + 2 H2O + log_k 4.6661 + -delta_H -40.7876 kJ/mol # Calculated enthalpy of reaction CoCl2:2H2O # Enthalpy of formation: -923.206 kJ/mol - -analytic -5.6411e+001 -2.3390e-002 3.0519e+003 2.3361e+001 5.1845e+001 + -analytic -5.6411e+1 -2.339e-2 3.0519e+3 2.3361e+1 5.1845e+1 # -Range: 0-200 CoCl2:6H2O - CoCl2:6H2O = + 1.0000 Co++ + 2.0000 Cl- + 6.0000 H2O - log_k 2.6033 - -delta_H 8.32709 kJ/mol # Calculated enthalpy of reaction CoCl2:6H2O + CoCl2:6H2O = Co+2 + 2 Cl- + 6 H2O + log_k 2.6033 + -delta_H 8.32709 kJ/mol # Calculated enthalpy of reaction CoCl2:6H2O # Enthalpy of formation: -2115.67 kJ/mol - -analytic -1.5066e+002 -2.2132e-002 5.0591e+003 5.7743e+001 8.5962e+001 + -analytic -1.5066e+2 -2.2132e-2 5.0591e+3 5.7743e+1 8.5962e+1 # -Range: 0-200 CoF2 - CoF2 = + 1.0000 Co++ + 2.0000 F- - log_k -5.1343 - -delta_H -36.6708 kJ/mol # Calculated enthalpy of reaction CoF2 + CoF2 = Co+2 + 2 F- + log_k -5.1343 + -delta_H -36.6708 kJ/mol # Calculated enthalpy of reaction CoF2 # Enthalpy of formation: -692.182 kJ/mol - -analytic -2.5667e+002 -8.4071e-002 7.6256e+003 1.0143e+002 1.1907e+002 + -analytic -2.5667e+2 -8.4071e-2 7.6256e+3 1.0143e+2 1.1907e+2 # -Range: 0-300 CoF3 - CoF3 = + 1.0000 Co+++ + 3.0000 F- - log_k -4.9558 - -delta_H -103.136 kJ/mol # Calculated enthalpy of reaction CoF3 + CoF3 = Co+3 + 3 F- + log_k -4.9558 + -delta_H -103.136 kJ/mol # Calculated enthalpy of reaction CoF3 # Enthalpy of formation: -193.8 kcal/mol - -analytic -3.7854e+002 -1.2911e-001 1.3215e+004 1.4859e+002 2.0632e+002 + -analytic -3.7854e+2 -1.2911e-1 1.3215e+4 1.4859e+2 2.0632e+2 # -Range: 0-300 CoFe2O4 - CoFe2O4 +8.0000 H+ = + 1.0000 Co++ + 2.0000 Fe+++ + 4.0000 H2O - log_k 0.8729 - -delta_H -160.674 kJ/mol # Calculated enthalpy of reaction CoFe2O4 + CoFe2O4 + 8 H+ = Co+2 + 2 Fe+3 + 4 H2O + log_k 0.8729 + -delta_H -160.674 kJ/mol # Calculated enthalpy of reaction CoFe2O4 # Enthalpy of formation: -272.466 kcal/mol - -analytic -3.0149e+002 -7.9159e-002 1.5683e+004 1.1046e+002 2.4480e+002 + -analytic -3.0149e+2 -7.9159e-2 1.5683e+4 1.1046e+2 2.448e+2 # -Range: 0-300 CoHPO4 - CoHPO4 = + 1.0000 Co++ + 1.0000 HPO4-- - log_k -6.7223 - -delta_H 0 # Not possible to calculate enthalpy of reaction CoHPO4 + CoHPO4 = Co+2 + HPO4-2 + log_k -6.7223 + -delta_H 0 # Not possible to calculate enthalpy of reaction CoHPO4 # Enthalpy of formation: 0 kcal/mol CoO - CoO +2.0000 H+ = + 1.0000 Co++ + 1.0000 H2O - log_k 13.5553 - -delta_H -106.05 kJ/mol # Calculated enthalpy of reaction CoO + CoO + 2 H+ = Co+2 + H2O + log_k 13.5553 + -delta_H -106.05 kJ/mol # Calculated enthalpy of reaction CoO # Enthalpy of formation: -237.946 kJ/mol - -analytic -8.4424e+001 -1.9457e-002 7.8616e+003 3.1281e+001 1.2270e+002 + -analytic -8.4424e+1 -1.9457e-2 7.8616e+3 3.1281e+1 1.227e+2 # -Range: 0-300 CoS - CoS +1.0000 H+ = + 1.0000 Co++ + 1.0000 HS- - log_k -7.3740 - -delta_H 10.1755 kJ/mol # Calculated enthalpy of reaction CoS + CoS + H+ = Co+2 + HS- + log_k -7.374 + -delta_H 10.1755 kJ/mol # Calculated enthalpy of reaction CoS # Enthalpy of formation: -20.182 kcal/mol - -analytic -1.5128e+002 -4.8484e-002 2.9553e+003 5.9983e+001 4.6158e+001 + -analytic -1.5128e+2 -4.8484e-2 2.9553e+3 5.9983e+1 4.6158e+1 # -Range: 0-300 CoSO4 - CoSO4 = + 1.0000 Co++ + 1.0000 SO4-- - log_k 2.8996 - -delta_H -79.7952 kJ/mol # Calculated enthalpy of reaction CoSO4 + CoSO4 = Co+2 + SO4-2 + log_k 2.8996 + -delta_H -79.7952 kJ/mol # Calculated enthalpy of reaction CoSO4 # Enthalpy of formation: -887.964 kJ/mol - -analytic -1.9907e+002 -7.7890e-002 7.7193e+003 8.0525e+001 1.2051e+002 + -analytic -1.9907e+2 -7.789e-2 7.7193e+3 8.0525e+1 1.2051e+2 # -Range: 0-300 CoSO4.3Co(OH)2 - CoSO4(Co(OH)2)3 +6.0000 H+ = + 1.0000 SO4-- + 4.0000 Co++ + 6.0000 H2O - log_k 33.2193 - -delta_H -379.41 kJ/mol # Calculated enthalpy of reaction CoSO4.3Co(OH)2 + CoSO4(Co(OH)2)3 + 6 H+ = SO4-2 + 4 Co+2 + 6 H2O + log_k 33.2193 + -delta_H -379.41 kJ/mol # Calculated enthalpy of reaction CoSO4.3Co(OH)2 # Enthalpy of formation: -2477.85 kJ/mol - -analytic -2.2830e+002 -4.0197e-002 2.5937e+004 7.5367e+001 4.4053e+002 + -analytic -2.283e+2 -4.0197e-2 2.5937e+4 7.5367e+1 4.4053e+2 # -Range: 0-200 CoSO4:6H2O - CoSO4:6H2O = + 1.0000 Co++ + 1.0000 SO4-- + 6.0000 H2O - log_k -2.3512 - -delta_H 1.08483 kJ/mol # Calculated enthalpy of reaction CoSO4:6H2O + CoSO4:6H2O = Co+2 + SO4-2 + 6 H2O + log_k -2.3512 + -delta_H 1.08483 kJ/mol # Calculated enthalpy of reaction CoSO4:6H2O # Enthalpy of formation: -2683.87 kJ/mol - -analytic -2.5469e+002 -7.3092e-002 6.6767e+003 1.0172e+002 1.0426e+002 + -analytic -2.5469e+2 -7.3092e-2 6.6767e+3 1.0172e+2 1.0426e+2 # -Range: 0-300 CoSO4:H2O - CoSO4:H2O = + 1.0000 Co++ + 1.0000 H2O + 1.0000 SO4-- - log_k -1.2111 - -delta_H -52.6556 kJ/mol # Calculated enthalpy of reaction CoSO4:H2O + CoSO4:H2O = Co+2 + H2O + SO4-2 + log_k -1.2111 + -delta_H -52.6556 kJ/mol # Calculated enthalpy of reaction CoSO4:H2O # Enthalpy of formation: -287.032 kcal/mol - -analytic -1.0570e+001 -1.6196e-002 1.7180e+003 3.4000e+000 2.9178e+001 + -analytic -1.057e+1 -1.6196e-2 1.718e+3 3.4e+0 2.9178e+1 # -Range: 0-200 CoSeO3 - CoSeO3 = + 1.0000 Co++ + 1.0000 SeO3-- - log_k -7.0800 - -delta_H 0 # Not possible to calculate enthalpy of reaction CoSeO3 + CoSeO3 = Co+2 + SeO3-2 + log_k -7.08 + -delta_H 0 # Not possible to calculate enthalpy of reaction CoSeO3 # Enthalpy of formation: 0 kcal/mol CoWO4 - CoWO4 = + 1.0000 Co++ + 1.0000 WO4-- - log_k -12.2779 - -delta_H 13.6231 kJ/mol # Calculated enthalpy of reaction CoWO4 + CoWO4 = Co+2 + WO4-2 + log_k -12.2779 + -delta_H 13.6231 kJ/mol # Calculated enthalpy of reaction CoWO4 # Enthalpy of formation: -274.256 kcal/mol - -analytic -3.7731e+001 -2.4719e-002 -1.0347e+003 1.4663e+001 -1.7558e+001 + -analytic -3.7731e+1 -2.4719e-2 -1.0347e+3 1.4663e+1 -1.7558e+1 # -Range: 0-200 Coesite - SiO2 = + 1.0000 SiO2 - log_k -3.1893 - -delta_H 28.6144 kJ/mol # Calculated enthalpy of reaction Coesite + SiO2 = SiO2 + log_k -3.1893 + -delta_H 28.6144 kJ/mol # Calculated enthalpy of reaction Coesite # Enthalpy of formation: -216.614 kcal/mol - -analytic -9.7312e+000 9.1773e-003 4.2143e+003 -7.8065e-001 -7.4905e+005 + -analytic -9.7312e+0 9.1773e-3 4.2143e+3 -7.8065e-1 -7.4905e+5 # -Range: 0-300 Coffinite - USiO4 +4.0000 H+ = + 1.0000 SiO2 + 1.0000 U++++ + 2.0000 H2O - log_k -8.0530 - -delta_H -49.2493 kJ/mol # Calculated enthalpy of reaction Coffinite + USiO4 + 4 H+ = SiO2 + U+4 + 2 H2O + log_k -8.053 + -delta_H -49.2493 kJ/mol # Calculated enthalpy of reaction Coffinite # Enthalpy of formation: -1991.33 kJ/mol - -analytic 2.3126e+002 6.2389e-002 -4.6189e+003 -9.7976e+001 -7.8517e+001 + -analytic 2.3126e+2 6.2389e-2 -4.6189e+3 -9.7976e+1 -7.8517e+1 # -Range: 0-200 Colemanite - Ca2B6O11:5H2O +4.0000 H+ +2.0000 H2O = + 2.0000 Ca++ + 6.0000 B(OH)3 - log_k 21.5148 - -delta_H 0 # Not possible to calculate enthalpy of reaction Colemanite + Ca2B6O11:5H2O + 4 H+ + 2 H2O = 2 Ca+2 + 6 B(OH)3 + log_k 21.5148 + -delta_H 0 # Not possible to calculate enthalpy of reaction Colemanite # Enthalpy of formation: 0 kcal/mol Cordierite_anhyd - Mg2Al4Si5O18 +16.0000 H+ = + 2.0000 Mg++ + 4.0000 Al+++ + 5.0000 SiO2 + 8.0000 H2O - log_k 52.3035 - -delta_H -626.219 kJ/mol # Calculated enthalpy of reaction Cordierite_anhyd + Mg2Al4Si5O18 + 16 H+ = 2 Mg+2 + 4 Al+3 + 5 SiO2 + 8 H2O + log_k 52.3035 + -delta_H -626.219 kJ/mol # Calculated enthalpy of reaction Cordierite_anhyd # Enthalpy of formation: -2183.2 kcal/mol - -analytic 2.6562e+000 -2.3801e-002 3.5192e+004 -1.9911e+001 -1.0894e+006 + -analytic 2.6562e+0 -2.3801e-2 3.5192e+4 -1.9911e+1 -1.0894e+6 # -Range: 0-300 Cordierite_hydr - Mg2Al4Si5O18:H2O +16.0000 H+ = + 2.0000 Mg++ + 4.0000 Al+++ + 5.0000 SiO2 + 9.0000 H2O - log_k 49.8235 - -delta_H -608.814 kJ/mol # Calculated enthalpy of reaction Cordierite_hydr + Mg2Al4Si5O18:H2O + 16 H+ = 2 Mg+2 + 4 Al+3 + 5 SiO2 + 9 H2O + log_k 49.8235 + -delta_H -608.814 kJ/mol # Calculated enthalpy of reaction Cordierite_hydr # Enthalpy of formation: -2255.68 kcal/mol - -analytic -1.2985e+002 -4.1335e-002 4.1566e+004 2.7892e+001 -1.4819e+006 + -analytic -1.2985e+2 -4.1335e-2 4.1566e+4 2.7892e+1 -1.4819e+6 # -Range: 0-300 Corkite - PbFe3(PO4)(SO4)(OH)6 +7.0000 H+ = + 1.0000 HPO4-- + 1.0000 Pb++ + 1.0000 SO4-- + 3.0000 Fe+++ + 6.0000 H2O - log_k -9.7951 - -delta_H 0 # Not possible to calculate enthalpy of reaction Corkite + PbFe3(PO4)(SO4)(OH)6 + 7 H+ = HPO4-2 + Pb+2 + SO4-2 + 3 Fe+3 + 6 H2O + log_k -9.7951 + -delta_H 0 # Not possible to calculate enthalpy of reaction Corkite # Enthalpy of formation: 0 kcal/mol Corundum - Al2O3 +6.0000 H+ = + 2.0000 Al+++ + 3.0000 H2O - log_k 18.3121 - -delta_H -258.626 kJ/mol # Calculated enthalpy of reaction Corundum + Al2O3 + 6 H+ = 2 Al+3 + 3 H2O + log_k 18.3121 + -delta_H -258.626 kJ/mol # Calculated enthalpy of reaction Corundum # Enthalpy of formation: -400.5 kcal/mol - -analytic -1.4278e+002 -7.8519e-002 1.3776e+004 5.5881e+001 2.1501e+002 + -analytic -1.4278e+2 -7.8519e-2 1.3776e+4 5.5881e+1 2.1501e+2 # -Range: 0-300 Cotunnite - PbCl2 = + 1.0000 Pb++ + 2.0000 Cl- - log_k -4.8406 - -delta_H 26.1441 kJ/mol # Calculated enthalpy of reaction Cotunnite + PbCl2 = Pb+2 + 2 Cl- + log_k -4.8406 + -delta_H 26.1441 kJ/mol # Calculated enthalpy of reaction Cotunnite # Enthalpy of formation: -359.383 kJ/mol - -analytic 1.9624e+001 -1.9161e-002 -3.4686e+003 -2.8806e+000 -5.8909e+001 + -analytic 1.9624e+1 -1.9161e-2 -3.4686e+3 -2.8806e+0 -5.8909e+1 # -Range: 0-200 Covellite - CuS +1.0000 H+ = + 1.0000 Cu++ + 1.0000 HS- - log_k -22.8310 - -delta_H 101.88 kJ/mol # Calculated enthalpy of reaction Covellite + CuS + H+ = Cu+2 + HS- + log_k -22.831 + -delta_H 101.88 kJ/mol # Calculated enthalpy of reaction Covellite # Enthalpy of formation: -12.5 kcal/mol - -analytic -1.6068e+002 -4.9040e-002 -1.4234e+003 6.3536e+001 -2.2164e+001 + -analytic -1.6068e+2 -4.904e-2 -1.4234e+3 6.3536e+1 -2.2164e+1 # -Range: 0-300 Cr - Cr +3.0000 H+ +0.7500 O2 = + 1.0000 Cr+++ + 1.5000 H2O - log_k 98.6784 - -delta_H -658.145 kJ/mol # Calculated enthalpy of reaction Cr + Cr + 3 H+ + 0.75 O2 = Cr+3 + 1.5 H2O + log_k 98.6784 + -delta_H -658.145 kJ/mol # Calculated enthalpy of reaction Cr # Enthalpy of formation: 0 kJ/mol - -analytic -2.2488e+001 -5.5886e-003 3.4288e+004 3.1585e+000 5.3503e+002 + -analytic -2.2488e+1 -5.5886e-3 3.4288e+4 3.1585e+0 5.3503e+2 # -Range: 0-300 CrCl3 - CrCl3 = + 1.0000 Cr+++ + 3.0000 Cl- - log_k 17.9728 - -delta_H -183.227 kJ/mol # Calculated enthalpy of reaction CrCl3 + CrCl3 = Cr+3 + 3 Cl- + log_k 17.9728 + -delta_H -183.227 kJ/mol # Calculated enthalpy of reaction CrCl3 # Enthalpy of formation: -556.5 kJ/mol - -analytic -2.6348e+002 -9.5339e-002 1.4785e+004 1.0517e+002 2.3079e+002 + -analytic -2.6348e+2 -9.5339e-2 1.4785e+4 1.0517e+2 2.3079e+2 # -Range: 0-300 CrF3 - CrF3 = + 1.0000 Cr+++ + 3.0000 F- - log_k -8.5713 - -delta_H -85.5293 kJ/mol # Calculated enthalpy of reaction CrF3 + CrF3 = Cr+3 + 3 F- + log_k -8.5713 + -delta_H -85.5293 kJ/mol # Calculated enthalpy of reaction CrF3 # Enthalpy of formation: -277.008 kcal/mol - -analytic -3.2175e+002 -1.0279e-001 1.1394e+004 1.2348e+002 1.7789e+002 + -analytic -3.2175e+2 -1.0279e-1 1.1394e+4 1.2348e+2 1.7789e+2 # -Range: 0-300 CrF4 - CrF4 +2.0000 H2O = + 0.5000 Cr++ + 0.5000 CrO4-- + 4.0000 F- + 4.0000 H+ - log_k -12.3132 - -delta_H -35.2125 kJ/mol # Calculated enthalpy of reaction CrF4 + CrF4 + 2 H2O = 0.5 Cr+2 + 0.5 CrO4-2 + 4 F- + 4 H+ + log_k -12.3132 + -delta_H -35.2125 kJ/mol # Calculated enthalpy of reaction CrF4 # Enthalpy of formation: -298 kcal/mol - -analytic 4.3136e+001 -4.3783e-002 -3.6809e+003 -1.2153e+001 -6.2521e+001 + -analytic 4.3136e+1 -4.3783e-2 -3.6809e+3 -1.2153e+1 -6.2521e+1 # -Range: 0-200 CrI3 - CrI3 = + 1.0000 Cr+++ + 3.0000 I- - log_k 25.6112 - -delta_H -204.179 kJ/mol # Calculated enthalpy of reaction CrI3 + CrI3 = Cr+3 + 3 I- + log_k 25.6112 + -delta_H -204.179 kJ/mol # Calculated enthalpy of reaction CrI3 # Enthalpy of formation: -49 kcal/mol - -analytic 4.9232e+000 -2.5164e-002 8.4026e+003 0.0000e+000 0.0000e+000 + -analytic 4.9232e+0 -2.5164e-2 8.4026e+3 0e+0 0e+0 # -Range: 0-200 CrO2 - CrO2 = + 0.5000 Cr++ + 0.5000 CrO4-- - log_k -19.1332 - -delta_H 85.9812 kJ/mol # Calculated enthalpy of reaction CrO2 + CrO2 = 0.5 Cr+2 + 0.5 CrO4-2 + log_k -19.1332 + -delta_H 85.9812 kJ/mol # Calculated enthalpy of reaction CrO2 # Enthalpy of formation: -143 kcal/mol - -analytic 2.7763e+000 -7.7698e-003 -5.2893e+003 -7.4970e-001 -8.9821e+001 + -analytic 2.7763e+0 -7.7698e-3 -5.2893e+3 -7.497e-1 -8.9821e+1 # -Range: 0-200 CrO3 - CrO3 +1.0000 H2O = + 1.0000 CrO4-- + 2.0000 H+ - log_k -3.5221 - -delta_H -5.78647 kJ/mol # Calculated enthalpy of reaction CrO3 + CrO3 + H2O = CrO4-2 + 2 H+ + log_k -3.5221 + -delta_H -5.78647 kJ/mol # Calculated enthalpy of reaction CrO3 # Enthalpy of formation: -140.9 kcal/mol - -analytic -1.3262e+002 -6.1411e-002 2.2083e+003 5.6564e+001 3.4497e+001 + -analytic -1.3262e+2 -6.1411e-2 2.2083e+3 5.6564e+1 3.4497e+1 # -Range: 0-300 CrS - CrS +1.0000 H+ = + 1.0000 Cr++ + 1.0000 HS- - log_k -0.6304 - -delta_H -26.15 kJ/mol # Calculated enthalpy of reaction CrS + CrS + H+ = Cr+2 + HS- + log_k -0.6304 + -delta_H -26.15 kJ/mol # Calculated enthalpy of reaction CrS # Enthalpy of formation: -31.9 kcal/mol - -analytic -1.1134e+002 -3.5954e-002 3.8744e+003 4.3815e+001 6.0490e+001 + -analytic -1.1134e+2 -3.5954e-2 3.8744e+3 4.3815e+1 6.049e+1 # -Range: 0-300 Cristobalite(alpha) - SiO2 = + 1.0000 SiO2 - log_k -3.4488 - -delta_H 29.2043 kJ/mol # Calculated enthalpy of reaction Cristobalite(alpha) + SiO2 = SiO2 + log_k -3.4488 + -delta_H 29.2043 kJ/mol # Calculated enthalpy of reaction Cristobalite(alpha) # Enthalpy of formation: -216.755 kcal/mol - -analytic -1.1936e+001 9.0520e-003 4.3701e+003 -1.1464e-001 -7.6568e+005 + -analytic -1.1936e+1 9.052e-3 4.3701e+3 -1.1464e-1 -7.6568e+5 # -Range: 0-300 Cristobalite(beta) - SiO2 = + 1.0000 SiO2 - log_k -3.0053 - -delta_H 24.6856 kJ/mol # Calculated enthalpy of reaction Cristobalite(beta) + SiO2 = SiO2 + log_k -3.0053 + -delta_H 24.6856 kJ/mol # Calculated enthalpy of reaction Cristobalite(beta) # Enthalpy of formation: -215.675 kcal/mol - -analytic -4.7414e+000 9.7567e-003 3.8831e+003 -2.5830e+000 -6.9636e+005 + -analytic -4.7414e+0 9.7567e-3 3.8831e+3 -2.583e+0 -6.9636e+5 # -Range: 0-300 Crocoite - PbCrO4 = + 1.0000 CrO4-- + 1.0000 Pb++ - log_k -12.7177 - -delta_H 48.6181 kJ/mol # Calculated enthalpy of reaction Crocoite + PbCrO4 = CrO4-2 + Pb+2 + log_k -12.7177 + -delta_H 48.6181 kJ/mol # Calculated enthalpy of reaction Crocoite # Enthalpy of formation: -222 kcal/mol - -analytic 3.0842e+001 -1.4430e-002 -5.0292e+003 -9.0525e+000 -8.5414e+001 + -analytic 3.0842e+1 -1.443e-2 -5.0292e+3 -9.0525e+0 -8.5414e+1 # -Range: 0-200 Cronstedtite-7A - Fe2Fe2SiO5(OH)4 +10.0000 H+ = + 1.0000 SiO2 + 2.0000 Fe++ + 2.0000 Fe+++ + 7.0000 H2O - log_k 16.2603 - -delta_H -244.266 kJ/mol # Calculated enthalpy of reaction Cronstedtite-7A + Fe2Fe2SiO5(OH)4 + 10 H+ = SiO2 + 2 Fe+2 + 2 Fe+3 + 7 H2O + log_k 16.2603 + -delta_H -244.266 kJ/mol # Calculated enthalpy of reaction Cronstedtite-7A # Enthalpy of formation: -697.413 kcal/mol - -analytic -2.3783e+002 -7.1026e-002 1.7752e+004 8.7147e+001 2.7707e+002 + -analytic -2.3783e+2 -7.1026e-2 1.7752e+4 8.7147e+1 2.7707e+2 # -Range: 0-300 Cs - Cs +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Cs+ - log_k 72.5987 - -delta_H -397.913 kJ/mol # Calculated enthalpy of reaction Cs + Cs + H+ + 0.25 O2 = 0.5 H2O + Cs+ + log_k 72.5987 + -delta_H -397.913 kJ/mol # Calculated enthalpy of reaction Cs # Enthalpy of formation: 0 kJ/mol - -analytic -1.2875e+001 -7.3845e-003 2.1019e+004 6.9347e+000 3.2799e+002 + -analytic -1.2875e+1 -7.3845e-3 2.1019e+4 6.9347e+0 3.2799e+2 # -Range: 0-300 Cs2NaAmCl6 - Cs2NaAmCl6 = + 1.0000 Am+++ + 1.0000 Na+ + 2.0000 Cs+ + 6.0000 Cl- - log_k 11.7089 - -delta_H -59.7323 kJ/mol # Calculated enthalpy of reaction Cs2NaAmCl6 + Cs2NaAmCl6 = Am+3 + Na+ + 2 Cs+ + 6 Cl- + log_k 11.7089 + -delta_H -59.7323 kJ/mol # Calculated enthalpy of reaction Cs2NaAmCl6 # Enthalpy of formation: -2315.8 kJ/mol - -analytic 5.1683e+001 -5.0340e-002 -2.3205e+003 -6.9536e+000 -3.9422e+001 + -analytic 5.1683e+1 -5.034e-2 -2.3205e+3 -6.9536e+0 -3.9422e+1 # -Range: 0-200 Cs2U2O7 - Cs2U2O7 +6.0000 H+ = + 2.0000 Cs+ + 2.0000 UO2++ + 3.0000 H2O - log_k 31.0263 - -delta_H -191.57 kJ/mol # Calculated enthalpy of reaction Cs2U2O7 + Cs2U2O7 + 6 H+ = 2 Cs+ + 2 UO2+2 + 3 H2O + log_k 31.0263 + -delta_H -191.57 kJ/mol # Calculated enthalpy of reaction Cs2U2O7 # Enthalpy of formation: -3220 kJ/mol - -analytic -5.1436e+001 -7.4096e-003 1.2524e+004 1.7827e+001 -1.2899e+005 + -analytic -5.1436e+1 -7.4096e-3 1.2524e+4 1.7827e+1 -1.2899e+5 # -Range: 0-300 Cs2U4O12 - Cs2U4O12 +8.0000 H+ = + 2.0000 Cs+ + 2.0000 UO2+ + 2.0000 UO2++ + 4.0000 H2O - log_k 18.9460 - -delta_H -175.862 kJ/mol # Calculated enthalpy of reaction Cs2U4O12 + Cs2U4O12 + 8 H+ = 2 Cs+ + 2 UO2+ + 2 UO2+2 + 4 H2O + log_k 18.946 + -delta_H -175.862 kJ/mol # Calculated enthalpy of reaction Cs2U4O12 # Enthalpy of formation: -5571.8 kJ/mol - -analytic -3.3411e+001 3.6196e-003 1.0508e+004 6.5823e+000 -2.3403e+004 + -analytic -3.3411e+1 3.6196e-3 1.0508e+4 6.5823e+0 -2.3403e+4 # -Range: 0-300 Cs2UO4 - Cs2UO4 +4.0000 H+ = + 1.0000 UO2++ + 2.0000 Cs+ + 2.0000 H2O - log_k 35.8930 - -delta_H -178.731 kJ/mol # Calculated enthalpy of reaction Cs2UO4 + Cs2UO4 + 4 H+ = UO2+2 + 2 Cs+ + 2 H2O + log_k 35.893 + -delta_H -178.731 kJ/mol # Calculated enthalpy of reaction Cs2UO4 # Enthalpy of formation: -1928 kJ/mol - -analytic -3.0950e+001 -3.5650e-003 1.0690e+004 1.2949e+001 1.6682e+002 + -analytic -3.095e+1 -3.565e-3 1.069e+4 1.2949e+1 1.6682e+2 # -Range: 0-300 Cu - Cu +2.0000 H+ +0.5000 O2 = + 1.0000 Cu++ + 1.0000 H2O - log_k 31.5118 - -delta_H -214.083 kJ/mol # Calculated enthalpy of reaction Cu + Cu + 2 H+ + 0.5 O2 = Cu+2 + H2O + log_k 31.5118 + -delta_H -214.083 kJ/mol # Calculated enthalpy of reaction Cu # Enthalpy of formation: 0 kcal/mol - -analytic -7.0719e+001 -2.0300e-002 1.2802e+004 2.6401e+001 1.9979e+002 + -analytic -7.0719e+1 -2.03e-2 1.2802e+4 2.6401e+1 1.9979e+2 # -Range: 0-300 Cu3(PO4)2 - Cu3(PO4)2 +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Cu++ - log_k -12.2247 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cu3(PO4)2 + Cu3(PO4)2 + 2 H+ = 2 HPO4-2 + 3 Cu+2 + log_k -12.2247 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cu3(PO4)2 # Enthalpy of formation: 0 kcal/mol Cu3(PO4)2:3H2O - Cu3(PO4)2:3H2O +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Cu++ + 3.0000 H2O - log_k -10.4763 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cu3(PO4)2:3H2O + Cu3(PO4)2:3H2O + 2 H+ = 2 HPO4-2 + 3 Cu+2 + 3 H2O + log_k -10.4763 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cu3(PO4)2:3H2O # Enthalpy of formation: 0 kcal/mol CuCl2 - CuCl2 = + 1.0000 Cu++ + 2.0000 Cl- - log_k 3.7308 - -delta_H -48.5965 kJ/mol # Calculated enthalpy of reaction CuCl2 + CuCl2 = Cu+2 + 2 Cl- + log_k 3.7308 + -delta_H -48.5965 kJ/mol # Calculated enthalpy of reaction CuCl2 # Enthalpy of formation: -219.874 kJ/mol - -analytic -1.7803e+001 -2.4432e-002 1.5729e+003 9.5104e+000 2.6716e+001 + -analytic -1.7803e+1 -2.4432e-2 1.5729e+3 9.5104e+0 2.6716e+1 # -Range: 0-200 CuCr2O4 - CuCr2O4 +8.0000 H+ = + 1.0000 Cu++ + 2.0000 Cr+++ + 4.0000 H2O - log_k 16.2174 - -delta_H -268.768 kJ/mol # Calculated enthalpy of reaction CuCr2O4 + CuCr2O4 + 8 H+ = Cu+2 + 2 Cr+3 + 4 H2O + log_k 16.2174 + -delta_H -268.768 kJ/mol # Calculated enthalpy of reaction CuCr2O4 # Enthalpy of formation: -307.331 kcal/mol - -analytic -1.8199e+002 -1.0254e-002 2.0123e+004 5.4062e+001 3.4178e+002 + -analytic -1.8199e+2 -1.0254e-2 2.0123e+4 5.4062e+1 3.4178e+2 # -Range: 0-200 CuF - CuF = + 1.0000 Cu+ + 1.0000 F- - log_k 7.0800 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuF + CuF = Cu+ + F- + log_k 7.08 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuF # Enthalpy of formation: 0 kcal/mol CuF2 - CuF2 = + 1.0000 Cu++ + 2.0000 F- - log_k -0.6200 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuF2 + CuF2 = Cu+2 + 2 F- + log_k -0.62 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuF2 # Enthalpy of formation: 0 kcal/mol CuF2:2H2O - CuF2:2H2O = + 1.0000 Cu++ + 2.0000 F- + 2.0000 H2O - log_k -4.5500 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuF2:2H2O + CuF2:2H2O = Cu+2 + 2 F- + 2 H2O + log_k -4.55 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuF2:2H2O # Enthalpy of formation: 0 kcal/mol CuSeO3 - CuSeO3 = + 1.0000 Cu++ + 1.0000 SeO3-- - log_k -7.6767 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuSeO3 + CuSeO3 = Cu+2 + SeO3-2 + log_k -7.6767 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuSeO3 # Enthalpy of formation: 0 kcal/mol Cuprite - Cu2O +2.0000 H+ = + 1.0000 H2O + 2.0000 Cu+ - log_k -1.9031 - -delta_H 28.355 kJ/mol # Calculated enthalpy of reaction Cuprite + Cu2O + 2 H+ = H2O + 2 Cu+ + log_k -1.9031 + -delta_H 28.355 kJ/mol # Calculated enthalpy of reaction Cuprite # Enthalpy of formation: -40.83 kcal/mol - -analytic -8.6240e+001 -1.1445e-002 1.7851e+003 3.3041e+001 2.7880e+001 + -analytic -8.624e+1 -1.1445e-2 1.7851e+3 3.3041e+1 2.788e+1 # -Range: 0-300 Daphnite-14A - Fe5AlAlSi3O10(OH)8 +16.0000 H+ = + 2.0000 Al+++ + 3.0000 SiO2 + 5.0000 Fe++ + 12.0000 H2O - log_k 52.2821 - -delta_H -517.561 kJ/mol # Calculated enthalpy of reaction Daphnite-14A + Fe5AlAlSi3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Fe+2 + 12 H2O + log_k 52.2821 + -delta_H -517.561 kJ/mol # Calculated enthalpy of reaction Daphnite-14A # Enthalpy of formation: -1693.04 kcal/mol - -analytic -1.5261e+002 -6.1392e-002 2.8283e+004 5.1788e+001 4.4137e+002 + -analytic -1.5261e+2 -6.1392e-2 2.8283e+4 5.1788e+1 4.4137e+2 # -Range: 0-300 Daphnite-7A - Fe5AlAlSi3O10(OH)8 +16.0000 H+ = + 2.0000 Al+++ + 3.0000 SiO2 + 5.0000 Fe++ + 12.0000 H2O - log_k 55.6554 - -delta_H -532.326 kJ/mol # Calculated enthalpy of reaction Daphnite-7A + Fe5AlAlSi3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Fe+2 + 12 H2O + log_k 55.6554 + -delta_H -532.326 kJ/mol # Calculated enthalpy of reaction Daphnite-7A # Enthalpy of formation: -1689.51 kcal/mol - -analytic -1.6430e+002 -6.3160e-002 2.9499e+004 5.6442e+001 4.6035e+002 + -analytic -1.643e+2 -6.316e-2 2.9499e+4 5.6442e+1 4.6035e+2 # -Range: 0-300 Dawsonite - NaAlCO3(OH)2 +3.0000 H+ = + 1.0000 Al+++ + 1.0000 HCO3- + 1.0000 Na+ + 2.0000 H2O - log_k 4.3464 - -delta_H -76.3549 kJ/mol # Calculated enthalpy of reaction Dawsonite + NaAlCO3(OH)2 + 3 H+ = Al+3 + HCO3- + Na+ + 2 H2O + log_k 4.3464 + -delta_H -76.3549 kJ/mol # Calculated enthalpy of reaction Dawsonite # Enthalpy of formation: -1963.96 kJ/mol - -analytic -1.1393e+002 -2.3487e-002 7.1758e+003 4.0900e+001 1.2189e+002 + -analytic -1.1393e+2 -2.3487e-2 7.1758e+3 4.09e+1 1.2189e+2 # -Range: 0-200 Delafossite - CuFeO2 +4.0000 H+ = + 1.0000 Cu+ + 1.0000 Fe+++ + 2.0000 H2O - log_k -6.4172 - -delta_H -18.6104 kJ/mol # Calculated enthalpy of reaction Delafossite + CuFeO2 + 4 H+ = Cu+ + Fe+3 + 2 H2O + log_k -6.4172 + -delta_H -18.6104 kJ/mol # Calculated enthalpy of reaction Delafossite # Enthalpy of formation: -126.904 kcal/mol - -analytic -1.5275e+002 -3.5478e-002 5.1404e+003 5.6437e+001 8.0255e+001 + -analytic -1.5275e+2 -3.5478e-2 5.1404e+3 5.6437e+1 8.0255e+1 # -Range: 0-300 Diaspore - AlHO2 +3.0000 H+ = + 1.0000 Al+++ + 2.0000 H2O - log_k 7.1603 - -delta_H -110.42 kJ/mol # Calculated enthalpy of reaction Diaspore + AlHO2 + 3 H+ = Al+3 + 2 H2O + log_k 7.1603 + -delta_H -110.42 kJ/mol # Calculated enthalpy of reaction Diaspore # Enthalpy of formation: -238.924 kcal/mol - -analytic -1.2618e+002 -3.1671e-002 8.8737e+003 4.5669e+001 1.3850e+002 + -analytic -1.2618e+2 -3.1671e-2 8.8737e+3 4.5669e+1 1.385e+2 # -Range: 0-300 Dicalcium_silicate - Ca2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 Ca++ + 2.0000 H2O - log_k 37.1725 - -delta_H -217.642 kJ/mol # Calculated enthalpy of reaction Dicalcium_silicate + Ca2SiO4 + 4 H+ = SiO2 + 2 Ca+2 + 2 H2O + log_k 37.1725 + -delta_H -217.642 kJ/mol # Calculated enthalpy of reaction Dicalcium_silicate # Enthalpy of formation: -2317.9 kJ/mol - -analytic -5.9723e+001 -1.3682e-002 1.5461e+004 2.1547e+001 -3.7732e+005 + -analytic -5.9723e+1 -1.3682e-2 1.5461e+4 2.1547e+1 -3.7732e+5 # -Range: 0-300 Diopside - CaMgSi2O6 +4.0000 H+ = + 1.0000 Ca++ + 1.0000 Mg++ + 2.0000 H2O + 2.0000 SiO2 - log_k 20.9643 - -delta_H -133.775 kJ/mol # Calculated enthalpy of reaction Diopside + CaMgSi2O6 + 4 H+ = Ca+2 + Mg+2 + 2 H2O + 2 SiO2 + log_k 20.9643 + -delta_H -133.775 kJ/mol # Calculated enthalpy of reaction Diopside # Enthalpy of formation: -765.378 kcal/mol - -analytic 7.1240e+001 1.5514e-002 8.1437e+003 -3.0672e+001 -5.6880e+005 + -analytic 7.124e+1 1.5514e-2 8.1437e+3 -3.0672e+1 -5.688e+5 # -Range: 0-300 Dioptase - CuSiO2(OH)2 +2.0000 H+ = + 1.0000 Cu++ + 1.0000 SiO2 + 2.0000 H2O - log_k 6.0773 - -delta_H -25.2205 kJ/mol # Calculated enthalpy of reaction Dioptase + CuSiO2(OH)2 + 2 H+ = Cu+2 + SiO2 + 2 H2O + log_k 6.0773 + -delta_H -25.2205 kJ/mol # Calculated enthalpy of reaction Dioptase # Enthalpy of formation: -1358.47 kJ/mol - -analytic 2.3913e+002 6.2669e-002 -5.4030e+003 -9.4420e+001 -9.1834e+001 + -analytic 2.3913e+2 6.2669e-2 -5.403e+3 -9.442e+1 -9.1834e+1 # -Range: 0-200 Dolomite - CaMg(CO3)2 +2.0000 H+ = + 1.0000 Ca++ + 1.0000 Mg++ + 2.0000 HCO3- - log_k 2.5135 - -delta_H -59.9651 kJ/mol # Calculated enthalpy of reaction Dolomite + CaMg(CO3)2 + 2 H+ = Ca+2 + Mg+2 + 2 HCO3- + log_k 2.5135 + -delta_H -59.9651 kJ/mol # Calculated enthalpy of reaction Dolomite # Enthalpy of formation: -556.631 kcal/mol - -analytic -3.1782e+002 -9.8179e-002 1.0845e+004 1.2657e+002 1.6932e+002 + -analytic -3.1782e+2 -9.8179e-2 1.0845e+4 1.2657e+2 1.6932e+2 # -Range: 0-300 Dolomite-dis - CaMg(CO3)2 +2.0000 H+ = + 1.0000 Ca++ + 1.0000 Mg++ + 2.0000 HCO3- - log_k 4.0579 - -delta_H -72.2117 kJ/mol # Calculated enthalpy of reaction Dolomite-dis + CaMg(CO3)2 + 2 H+ = Ca+2 + Mg+2 + 2 HCO3- + log_k 4.0579 + -delta_H -72.2117 kJ/mol # Calculated enthalpy of reaction Dolomite-dis # Enthalpy of formation: -553.704 kcal/mol - -analytic -3.1706e+002 -9.7886e-002 1.1442e+004 1.2604e+002 1.7864e+002 + -analytic -3.1706e+2 -9.7886e-2 1.1442e+4 1.2604e+2 1.7864e+2 # -Range: 0-300 Dolomite-ord - CaMg(CO3)2 +2.0000 H+ = + 1.0000 Ca++ + 1.0000 Mg++ + 2.0000 HCO3- - log_k 2.5135 - -delta_H -59.9651 kJ/mol # Calculated enthalpy of reaction Dolomite-ord + CaMg(CO3)2 + 2 H+ = Ca+2 + Mg+2 + 2 HCO3- + log_k 2.5135 + -delta_H -59.9651 kJ/mol # Calculated enthalpy of reaction Dolomite-ord # Enthalpy of formation: -556.631 kcal/mol - -analytic -3.1654e+002 -9.7902e-002 1.0805e+004 1.2607e+002 1.6870e+002 + -analytic -3.1654e+2 -9.7902e-2 1.0805e+4 1.2607e+2 1.687e+2 # -Range: 0-300 Downeyite - SeO2 +1.0000 H2O = + 1.0000 SeO3-- + 2.0000 H+ - log_k -6.7503 - -delta_H 1.74473 kJ/mol # Calculated enthalpy of reaction Downeyite + SeO2 + H2O = SeO3-2 + 2 H+ + log_k -6.7503 + -delta_H 1.74473 kJ/mol # Calculated enthalpy of reaction Downeyite # Enthalpy of formation: -53.8 kcal/mol - -analytic -1.2868e+002 -6.1183e-002 1.5802e+003 5.4490e+001 2.4696e+001 + -analytic -1.2868e+2 -6.1183e-2 1.5802e+3 5.449e+1 2.4696e+1 # -Range: 0-300 Dy - Dy +3.0000 H+ +0.7500 O2 = + 1.0000 Dy+++ + 1.5000 H2O - log_k 180.8306 - -delta_H -1116.29 kJ/mol # Calculated enthalpy of reaction Dy + Dy + 3 H+ + 0.75 O2 = Dy+3 + 1.5 H2O + log_k 180.8306 + -delta_H -1116.29 kJ/mol # Calculated enthalpy of reaction Dy # Enthalpy of formation: 0 kJ/mol - -analytic -6.8317e+001 -2.8321e-002 5.8927e+004 2.4211e+001 9.1953e+002 + -analytic -6.8317e+1 -2.8321e-2 5.8927e+4 2.4211e+1 9.1953e+2 # -Range: 0-300 Dy(OH)3 - Dy(OH)3 +3.0000 H+ = + 1.0000 Dy+++ + 3.0000 H2O - log_k 15.8852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Dy(OH)3 + Dy(OH)3 + 3 H+ = Dy+3 + 3 H2O + log_k 15.8852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Dy(OH)3 # Enthalpy of formation: 0 kcal/mol Dy(OH)3(am) - Dy(OH)3 +3.0000 H+ = + 1.0000 Dy+++ + 3.0000 H2O - log_k 17.4852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Dy(OH)3(am) + Dy(OH)3 + 3 H+ = Dy+3 + 3 H2O + log_k 17.4852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Dy(OH)3(am) # Enthalpy of formation: 0 kcal/mol Dy2(CO3)3 - Dy2(CO3)3 +3.0000 H+ = + 2.0000 Dy+++ + 3.0000 HCO3- - log_k -3.0136 - -delta_H 0 # Not possible to calculate enthalpy of reaction Dy2(CO3)3 + Dy2(CO3)3 + 3 H+ = 2 Dy+3 + 3 HCO3- + log_k -3.0136 + -delta_H 0 # Not possible to calculate enthalpy of reaction Dy2(CO3)3 # Enthalpy of formation: 0 kcal/mol Dy2O3 - Dy2O3 +6.0000 H+ = + 2.0000 Dy+++ + 3.0000 H2O - log_k 47.0000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Dy2O3 + Dy2O3 + 6 H+ = 2 Dy+3 + 3 H2O + log_k 47 + -delta_H 0 # Not possible to calculate enthalpy of reaction Dy2O3 # Enthalpy of formation: 0 kcal/mol DyF3:.5H2O - DyF3:.5H2O = + 0.5000 H2O + 1.0000 Dy+++ + 3.0000 F- - log_k -16.5000 - -delta_H 0 # Not possible to calculate enthalpy of reaction DyF3:.5H2O + DyF3:.5H2O = 0.5 H2O + Dy+3 + 3 F- + log_k -16.5 + -delta_H 0 # Not possible to calculate enthalpy of reaction DyF3:.5H2O # Enthalpy of formation: 0 kcal/mol DyPO4:10H2O - DyPO4:10H2O +1.0000 H+ = + 1.0000 Dy+++ + 1.0000 HPO4-- + 10.0000 H2O - log_k -11.9782 - -delta_H 0 # Not possible to calculate enthalpy of reaction DyPO4:10H2O + DyPO4:10H2O + H+ = Dy+3 + HPO4-2 + 10 H2O + log_k -11.9782 + -delta_H 0 # Not possible to calculate enthalpy of reaction DyPO4:10H2O # Enthalpy of formation: 0 kcal/mol Enstatite - MgSiO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 Mg++ + 1.0000 SiO2 - log_k 11.3269 - -delta_H -82.7302 kJ/mol # Calculated enthalpy of reaction Enstatite + MgSiO3 + 2 H+ = H2O + Mg+2 + SiO2 + log_k 11.3269 + -delta_H -82.7302 kJ/mol # Calculated enthalpy of reaction Enstatite # Enthalpy of formation: -369.686 kcal/mol - -analytic -4.9278e+001 -3.2832e-003 9.5205e+003 1.4437e+001 -5.4324e+005 + -analytic -4.9278e+1 -3.2832e-3 9.5205e+3 1.4437e+1 -5.4324e+5 # -Range: 0-300 Epidote - Ca2FeAl2Si3O12OH +13.0000 H+ = + 1.0000 Fe+++ + 2.0000 Al+++ + 2.0000 Ca++ + 3.0000 SiO2 + 7.0000 H2O - log_k 32.9296 - -delta_H -386.451 kJ/mol # Calculated enthalpy of reaction Epidote + Ca2FeAl2Si3O12OH + 13 H+ = Fe+3 + 2 Al+3 + 2 Ca+2 + 3 SiO2 + 7 H2O + log_k 32.9296 + -delta_H -386.451 kJ/mol # Calculated enthalpy of reaction Epidote # Enthalpy of formation: -1543.99 kcal/mol - -analytic -2.6187e+001 -3.6436e-002 1.9351e+004 3.3671e+000 -3.0319e+005 + -analytic -2.6187e+1 -3.6436e-2 1.9351e+4 3.3671e+0 -3.0319e+5 # -Range: 0-300 Epidote-ord - FeCa2Al2(OH)(SiO4)3 +13.0000 H+ = + 1.0000 Fe+++ + 2.0000 Al+++ + 2.0000 Ca++ + 3.0000 SiO2 + 7.0000 H2O - log_k 32.9296 - -delta_H -386.351 kJ/mol # Calculated enthalpy of reaction Epidote-ord + FeCa2Al2(OH)(SiO4)3 + 13 H+ = Fe+3 + 2 Al+3 + 2 Ca+2 + 3 SiO2 + 7 H2O + log_k 32.9296 + -delta_H -386.351 kJ/mol # Calculated enthalpy of reaction Epidote-ord # Enthalpy of formation: -1544.02 kcal/mol - -analytic 1.9379e+001 -3.2870e-002 1.5692e+004 -1.1901e+001 2.4485e+002 + -analytic 1.9379e+1 -3.287e-2 1.5692e+4 -1.1901e+1 2.4485e+2 # -Range: 0-300 Epsomite - MgSO4:7H2O = + 1.0000 Mg++ + 1.0000 SO4-- + 7.0000 H2O - log_k -1.9623 - -delta_H 0 # Not possible to calculate enthalpy of reaction Epsomite + MgSO4:7H2O = Mg+2 + SO4-2 + 7 H2O + log_k -1.9623 + -delta_H 0 # Not possible to calculate enthalpy of reaction Epsomite # Enthalpy of formation: 0 kcal/mol Er - Er +3.0000 H+ +0.7500 O2 = + 1.0000 Er+++ + 1.5000 H2O - log_k 181.7102 - -delta_H -1124.66 kJ/mol # Calculated enthalpy of reaction Er + Er + 3 H+ + 0.75 O2 = Er+3 + 1.5 H2O + log_k 181.7102 + -delta_H -1124.66 kJ/mol # Calculated enthalpy of reaction Er # Enthalpy of formation: 0 kJ/mol - -analytic -1.4459e+002 -3.8221e-002 6.4073e+004 5.1047e+001 -3.1503e+005 + -analytic -1.4459e+2 -3.8221e-2 6.4073e+4 5.1047e+1 -3.1503e+5 # -Range: 0-300 Er(OH)3 - Er(OH)3 +3.0000 H+ = + 1.0000 Er+++ + 3.0000 H2O - log_k 14.9852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Er(OH)3 + Er(OH)3 + 3 H+ = Er+3 + 3 H2O + log_k 14.9852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Er(OH)3 # Enthalpy of formation: 0 kcal/mol Er(OH)3(am) - Er(OH)3 +3.0000 H+ = + 1.0000 Er+++ + 3.0000 H2O - log_k 18.9852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Er(OH)3(am) + Er(OH)3 + 3 H+ = Er+3 + 3 H2O + log_k 18.9852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Er(OH)3(am) # Enthalpy of formation: 0 kcal/mol Er2(CO3)3 - Er2(CO3)3 +3.0000 H+ = + 2.0000 Er+++ + 3.0000 HCO3- - log_k -2.6136 - -delta_H 0 # Not possible to calculate enthalpy of reaction Er2(CO3)3 + Er2(CO3)3 + 3 H+ = 2 Er+3 + 3 HCO3- + log_k -2.6136 + -delta_H 0 # Not possible to calculate enthalpy of reaction Er2(CO3)3 # Enthalpy of formation: 0 kcal/mol Er2O3 - Er2O3 +6.0000 H+ = + 2.0000 Er+++ + 3.0000 H2O - log_k 42.1000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Er2O3 + Er2O3 + 6 H+ = 2 Er+3 + 3 H2O + log_k 42.1 + -delta_H 0 # Not possible to calculate enthalpy of reaction Er2O3 # Enthalpy of formation: 0 kcal/mol ErF3:.5H2O - ErF3:.5H2O = + 0.5000 H2O + 1.0000 Er+++ + 3.0000 F- - log_k -16.3000 - -delta_H 0 # Not possible to calculate enthalpy of reaction ErF3:.5H2O + ErF3:.5H2O = 0.5 H2O + Er+3 + 3 F- + log_k -16.3 + -delta_H 0 # Not possible to calculate enthalpy of reaction ErF3:.5H2O # Enthalpy of formation: 0 kcal/mol ErPO4:10H2O - ErPO4:10H2O +1.0000 H+ = + 1.0000 Er+++ + 1.0000 HPO4-- + 10.0000 H2O - log_k -11.8782 - -delta_H 0 # Not possible to calculate enthalpy of reaction ErPO4:10H2O + ErPO4:10H2O + H+ = Er+3 + HPO4-2 + 10 H2O + log_k -11.8782 + -delta_H 0 # Not possible to calculate enthalpy of reaction ErPO4:10H2O # Enthalpy of formation: 0 kcal/mol Erythrite - Co3(AsO4)2:8H2O +4.0000 H+ = + 2.0000 H2AsO4- + 3.0000 Co++ + 8.0000 H2O - log_k 6.3930 - -delta_H 0 # Not possible to calculate enthalpy of reaction Erythrite + Co3(AsO4)2:8H2O + 4 H+ = 2 H2AsO4- + 3 Co+2 + 8 H2O + log_k 6.393 + -delta_H 0 # Not possible to calculate enthalpy of reaction Erythrite # Enthalpy of formation: 0 kcal/mol Eskolaite - Cr2O3 +2.0000 H2O +1.5000 O2 = + 2.0000 CrO4-- + 4.0000 H+ - log_k -9.1306 - -delta_H -32.6877 kJ/mol # Calculated enthalpy of reaction Eskolaite + Cr2O3 + 2 H2O + 1.5 O2 = 2 CrO4-2 + 4 H+ + log_k -9.1306 + -delta_H -32.6877 kJ/mol # Calculated enthalpy of reaction Eskolaite # Enthalpy of formation: -1139.74 kJ/mol - -analytic -2.0411e+002 -1.2809e-001 2.2197e+003 9.1186e+001 3.4697e+001 + -analytic -2.0411e+2 -1.2809e-1 2.2197e+3 9.1186e+1 3.4697e+1 # -Range: 0-300 Ettringite - Ca6Al2(SO4)3(OH)12:26H2O +12.0000 H+ = + 2.0000 Al+++ + 3.0000 SO4-- + 6.0000 Ca++ + 38.0000 H2O - log_k 62.5362 - -delta_H -382.451 kJ/mol # Calculated enthalpy of reaction Ettringite + Ca6Al2(SO4)3(OH)12:26H2O + 12 H+ = 2 Al+3 + 3 SO4-2 + 6 Ca+2 + 38 H2O + log_k 62.5362 + -delta_H -382.451 kJ/mol # Calculated enthalpy of reaction Ettringite # Enthalpy of formation: -4193 kcal/mol - -analytic -1.0576e+003 -1.1585e-001 5.9580e+004 3.8585e+002 1.0121e+003 + -analytic -1.0576e+3 -1.1585e-1 5.958e+4 3.8585e+2 1.0121e+3 # -Range: 0-200 Eu - Eu +3.0000 H+ +0.7500 O2 = + 1.0000 Eu+++ + 1.5000 H2O - log_k 165.1443 - -delta_H -1025.08 kJ/mol # Calculated enthalpy of reaction Eu + Eu + 3 H+ + 0.75 O2 = Eu+3 + 1.5 H2O + log_k 165.1443 + -delta_H -1025.08 kJ/mol # Calculated enthalpy of reaction Eu # Enthalpy of formation: 0 kJ/mol - -analytic -6.5749e+001 -2.8921e-002 5.4018e+004 2.3561e+001 8.4292e+002 + -analytic -6.5749e+1 -2.8921e-2 5.4018e+4 2.3561e+1 8.4292e+2 # -Range: 0-300 Eu(IO3)3:2H2O - Eu(IO3)3:2H2O = + 1.0000 Eu+++ + 2.0000 H2O + 3.0000 IO3- - log_k -11.6999 - -delta_H 20.8847 kJ/mol # Calculated enthalpy of reaction Eu(IO3)3:2H2O + Eu(IO3)3:2H2O = Eu+3 + 2 H2O + 3 IO3- + log_k -11.6999 + -delta_H 20.8847 kJ/mol # Calculated enthalpy of reaction Eu(IO3)3:2H2O # Enthalpy of formation: -1861.99 kJ/mol - -analytic -3.4616e+001 -1.9914e-002 -1.1966e+003 1.3276e+001 -2.0308e+001 + -analytic -3.4616e+1 -1.9914e-2 -1.1966e+3 1.3276e+1 -2.0308e+1 # -Range: 0-200 Eu(NO3)3:6H2O - Eu(NO3)3:6H2O = + 1.0000 Eu+++ + 3.0000 NO3- + 6.0000 H2O - log_k 1.3082 - -delta_H 15.2254 kJ/mol # Calculated enthalpy of reaction Eu(NO3)3:6H2O + Eu(NO3)3:6H2O = Eu+3 + 3 NO3- + 6 H2O + log_k 1.3082 + -delta_H 15.2254 kJ/mol # Calculated enthalpy of reaction Eu(NO3)3:6H2O # Enthalpy of formation: -2956.11 kJ/mol - -analytic -1.3205e+002 -2.0427e-002 3.9623e+003 5.0976e+001 6.7332e+001 + -analytic -1.3205e+2 -2.0427e-2 3.9623e+3 5.0976e+1 6.7332e+1 # -Range: 0-200 Eu(OH)2.5Cl.5 - Eu(OH)2.5Cl.5 +2.5000 H+ = + 0.5000 Cl- + 1.0000 Eu+++ + 2.5000 H2O - log_k 12.5546 - -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(OH)2.5Cl.5 + Eu(OH)2.5Cl.5 + 2.5 H+ = 0.5 Cl- + Eu+3 + 2.5 H2O + log_k 12.5546 + -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(OH)2.5Cl.5 # Enthalpy of formation: 0 kcal/mol Eu(OH)2Cl - Eu(OH)2Cl +2.0000 H+ = + 1.0000 Cl- + 1.0000 Eu+++ + 2.0000 H2O - log_k 8.7974 - -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(OH)2Cl + Eu(OH)2Cl + 2 H+ = Cl- + Eu+3 + 2 H2O + log_k 8.7974 + -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(OH)2Cl # Enthalpy of formation: 0 kcal/mol Eu(OH)3 - Eu(OH)3 +3.0000 H+ = + 1.0000 Eu+++ + 3.0000 H2O - log_k 15.3482 - -delta_H -126.897 kJ/mol # Calculated enthalpy of reaction Eu(OH)3 + Eu(OH)3 + 3 H+ = Eu+3 + 3 H2O + log_k 15.3482 + -delta_H -126.897 kJ/mol # Calculated enthalpy of reaction Eu(OH)3 # Enthalpy of formation: -1336.04 kJ/mol - -analytic -6.3077e+001 -6.1421e-003 8.7323e+003 2.0595e+001 1.4831e+002 + -analytic -6.3077e+1 -6.1421e-3 8.7323e+3 2.0595e+1 1.4831e+2 # -Range: 0-200 Eu2(CO3)3:3H2O - Eu2(CO3)3:3H2O +3.0000 H+ = + 2.0000 Eu+++ + 3.0000 H2O + 3.0000 HCO3- - log_k -5.8707 - -delta_H -137.512 kJ/mol # Calculated enthalpy of reaction Eu2(CO3)3:3H2O + Eu2(CO3)3:3H2O + 3 H+ = 2 Eu+3 + 3 H2O + 3 HCO3- + log_k -5.8707 + -delta_H -137.512 kJ/mol # Calculated enthalpy of reaction Eu2(CO3)3:3H2O # Enthalpy of formation: -4000.65 kJ/mol - -analytic -1.4134e+002 -4.0240e-002 9.5883e+003 4.6591e+001 1.6287e+002 + -analytic -1.4134e+2 -4.024e-2 9.5883e+3 4.6591e+1 1.6287e+2 # -Range: 0-200 Eu2(SO4)3:8H2O - Eu2(SO4)3:8H2O = + 2.0000 Eu+++ + 3.0000 SO4-- + 8.0000 H2O - log_k -10.8524 - -delta_H -86.59 kJ/mol # Calculated enthalpy of reaction Eu2(SO4)3:8H2O + Eu2(SO4)3:8H2O = 2 Eu+3 + 3 SO4-2 + 8 H2O + log_k -10.8524 + -delta_H -86.59 kJ/mol # Calculated enthalpy of reaction Eu2(SO4)3:8H2O # Enthalpy of formation: -6139.77 kJ/mol - -analytic -5.6582e+001 -3.8846e-002 3.3821e+003 1.8561e+001 5.7452e+001 + -analytic -5.6582e+1 -3.8846e-2 3.3821e+3 1.8561e+1 5.7452e+1 # -Range: 0-200 Eu2O3(cubic) - Eu2O3 +6.0000 H+ = + 2.0000 Eu+++ + 3.0000 H2O - log_k 51.7818 - -delta_H -406.403 kJ/mol # Calculated enthalpy of reaction Eu2O3(cubic) + Eu2O3 + 6 H+ = 2 Eu+3 + 3 H2O + log_k 51.7818 + -delta_H -406.403 kJ/mol # Calculated enthalpy of reaction Eu2O3(cubic) # Enthalpy of formation: -1661.96 kJ/mol - -analytic -5.3469e+001 -1.2554e-002 2.1925e+004 1.4324e+001 3.7233e+002 + -analytic -5.3469e+1 -1.2554e-2 2.1925e+4 1.4324e+1 3.7233e+2 # -Range: 0-200 Eu2O3(monoclinic) - Eu2O3 +6.0000 H+ = + 2.0000 Eu+++ + 3.0000 H2O - log_k 53.3936 - -delta_H -417.481 kJ/mol # Calculated enthalpy of reaction Eu2O3(monoclinic) + Eu2O3 + 6 H+ = 2 Eu+3 + 3 H2O + log_k 53.3936 + -delta_H -417.481 kJ/mol # Calculated enthalpy of reaction Eu2O3(monoclinic) # Enthalpy of formation: -1650.88 kJ/mol - -analytic -5.4022e+001 -1.2627e-002 2.2508e+004 1.4416e+001 3.8224e+002 + -analytic -5.4022e+1 -1.2627e-2 2.2508e+4 1.4416e+1 3.8224e+2 # -Range: 0-200 Eu3O4 - Eu3O4 +8.0000 H+ = + 1.0000 Eu++ + 2.0000 Eu+++ + 4.0000 H2O - log_k 87.0369 - -delta_H -611.249 kJ/mol # Calculated enthalpy of reaction Eu3O4 + Eu3O4 + 8 H+ = Eu+2 + 2 Eu+3 + 4 H2O + log_k 87.0369 + -delta_H -611.249 kJ/mol # Calculated enthalpy of reaction Eu3O4 # Enthalpy of formation: -2270.56 kJ/mol - -analytic -1.1829e+002 -2.0354e-002 3.4981e+004 3.8007e+001 5.9407e+002 + -analytic -1.1829e+2 -2.0354e-2 3.4981e+4 3.8007e+1 5.9407e+2 # -Range: 0-200 EuBr3 - EuBr3 = + 1.0000 Eu+++ + 3.0000 Br- - log_k 29.8934 - -delta_H -217.166 kJ/mol # Calculated enthalpy of reaction EuBr3 + EuBr3 = Eu+3 + 3 Br- + log_k 29.8934 + -delta_H -217.166 kJ/mol # Calculated enthalpy of reaction EuBr3 # Enthalpy of formation: -752.769 kJ/mol - -analytic 6.0207e+001 -2.5234e-002 6.6823e+003 -1.8276e+001 1.1345e+002 + -analytic 6.0207e+1 -2.5234e-2 6.6823e+3 -1.8276e+1 1.1345e+2 # -Range: 0-200 EuCl2 - EuCl2 = + 1.0000 Eu++ + 2.0000 Cl- - log_k 5.9230 - -delta_H -39.2617 kJ/mol # Calculated enthalpy of reaction EuCl2 + EuCl2 = Eu+2 + 2 Cl- + log_k 5.923 + -delta_H -39.2617 kJ/mol # Calculated enthalpy of reaction EuCl2 # Enthalpy of formation: -822.5 kJ/mol - -analytic -2.5741e+001 -2.4956e-002 1.5713e+003 1.3670e+001 2.6691e+001 + -analytic -2.5741e+1 -2.4956e-2 1.5713e+3 1.367e+1 2.6691e+1 # -Range: 0-200 EuCl3 - EuCl3 = + 1.0000 Eu+++ + 3.0000 Cl- - log_k 19.7149 - -delta_H -170.861 kJ/mol # Calculated enthalpy of reaction EuCl3 + EuCl3 = Eu+3 + 3 Cl- + log_k 19.7149 + -delta_H -170.861 kJ/mol # Calculated enthalpy of reaction EuCl3 # Enthalpy of formation: -935.803 kJ/mol - -analytic 3.2865e+001 -3.1877e-002 4.9792e+003 -8.2294e+000 8.4542e+001 + -analytic 3.2865e+1 -3.1877e-2 4.9792e+3 -8.2294e+0 8.4542e+1 # -Range: 0-200 EuCl3:6H2O - EuCl3:6H2O = + 1.0000 Eu+++ + 3.0000 Cl- + 6.0000 H2O - log_k 4.9090 - -delta_H -40.0288 kJ/mol # Calculated enthalpy of reaction EuCl3:6H2O + EuCl3:6H2O = Eu+3 + 3 Cl- + 6 H2O + log_k 4.909 + -delta_H -40.0288 kJ/mol # Calculated enthalpy of reaction EuCl3:6H2O # Enthalpy of formation: -2781.66 kJ/mol - -analytic -1.0987e+002 -2.9851e-002 4.9991e+003 4.3198e+001 8.4930e+001 + -analytic -1.0987e+2 -2.9851e-2 4.9991e+3 4.3198e+1 8.493e+1 # -Range: 0-200 EuF3:0.5H2O - EuF3:0.5H2O = + 0.5000 H2O + 1.0000 Eu+++ + 3.0000 F- - log_k -16.4847 - -delta_H 0 # Not possible to calculate enthalpy of reaction EuF3:0.5H2O + EuF3:0.5H2O = 0.5 H2O + Eu+3 + 3 F- + log_k -16.4847 + -delta_H 0 # Not possible to calculate enthalpy of reaction EuF3:0.5H2O # Enthalpy of formation: 0 kcal/mol EuO - EuO +2.0000 H+ = + 1.0000 Eu++ + 1.0000 H2O - log_k 37.4800 - -delta_H -221.196 kJ/mol # Calculated enthalpy of reaction EuO + EuO + 2 H+ = Eu+2 + H2O + log_k 37.48 + -delta_H -221.196 kJ/mol # Calculated enthalpy of reaction EuO # Enthalpy of formation: -592.245 kJ/mol - -analytic -8.9517e+001 -1.7523e-002 1.4385e+004 3.3933e+001 2.2449e+002 + -analytic -8.9517e+1 -1.7523e-2 1.4385e+4 3.3933e+1 2.2449e+2 # -Range: 0-300 EuOCl - EuOCl +2.0000 H+ = + 1.0000 Cl- + 1.0000 Eu+++ + 1.0000 H2O - log_k 15.6683 - -delta_H -147.173 kJ/mol # Calculated enthalpy of reaction EuOCl + EuOCl + 2 H+ = Cl- + Eu+3 + H2O + log_k 15.6683 + -delta_H -147.173 kJ/mol # Calculated enthalpy of reaction EuOCl # Enthalpy of formation: -911.17 kJ/mol - -analytic -7.7446e+000 -1.4960e-002 6.6242e+003 2.2813e+000 1.1249e+002 + -analytic -7.7446e+0 -1.496e-2 6.6242e+3 2.2813e+0 1.1249e+2 # -Range: 0-200 EuOHCO3 - EuOHCO3 +2.0000 H+ = + 1.0000 Eu+++ + 1.0000 H2O + 1.0000 HCO3- - log_k 2.5239 - -delta_H 0 # Not possible to calculate enthalpy of reaction EuOHCO3 + EuOHCO3 + 2 H+ = Eu+3 + H2O + HCO3- + log_k 2.5239 + -delta_H 0 # Not possible to calculate enthalpy of reaction EuOHCO3 # Enthalpy of formation: 0 kcal/mol EuPO4:10H2O - EuPO4:10H2O +1.0000 H+ = + 1.0000 Eu+++ + 1.0000 HPO4-- + 10.0000 H2O - log_k -12.0782 - -delta_H 0 # Not possible to calculate enthalpy of reaction EuPO4:10H2O + EuPO4:10H2O + H+ = Eu+3 + HPO4-2 + 10 H2O + log_k -12.0782 + -delta_H 0 # Not possible to calculate enthalpy of reaction EuPO4:10H2O # Enthalpy of formation: 0 kcal/mol EuS - EuS +1.0000 H+ = + 1.0000 Eu++ + 1.0000 HS- - log_k 14.9068 - -delta_H -96.4088 kJ/mol # Calculated enthalpy of reaction EuS + EuS + H+ = Eu+2 + HS- + log_k 14.9068 + -delta_H -96.4088 kJ/mol # Calculated enthalpy of reaction EuS # Enthalpy of formation: -447.302 kJ/mol - -analytic -4.1026e+001 -1.5582e-002 5.7842e+003 1.6639e+001 9.8238e+001 + -analytic -4.1026e+1 -1.5582e-2 5.7842e+3 1.6639e+1 9.8238e+1 # -Range: 0-200 EuSO4 - EuSO4 = + 1.0000 Eu++ + 1.0000 SO4-- - log_k -8.8449 - -delta_H 33.873 kJ/mol # Calculated enthalpy of reaction EuSO4 + EuSO4 = Eu+2 + SO4-2 + log_k -8.8449 + -delta_H 33.873 kJ/mol # Calculated enthalpy of reaction EuSO4 # Enthalpy of formation: -1471.08 kJ/mol - -analytic 3.0262e-001 -1.7571e-002 -3.0392e+003 2.5356e+000 -5.1610e+001 + -analytic 3.0262e-1 -1.7571e-2 -3.0392e+3 2.5356e+0 -5.161e+1 # -Range: 0-200 Eucryptite - LiAlSiO4 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 Li+ + 1.0000 SiO2 + 2.0000 H2O - log_k 13.6106 - -delta_H -141.818 kJ/mol # Calculated enthalpy of reaction Eucryptite + LiAlSiO4 + 4 H+ = Al+3 + Li+ + SiO2 + 2 H2O + log_k 13.6106 + -delta_H -141.818 kJ/mol # Calculated enthalpy of reaction Eucryptite # Enthalpy of formation: -2124.41 kJ/mol - -analytic -2.2213e+000 -8.2498e-003 6.4838e+003 -1.4183e+000 1.0117e+002 + -analytic -2.2213e+0 -8.2498e-3 6.4838e+3 -1.4183e+0 1.0117e+2 # -Range: 0-300 Fayalite - Fe2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 Fe++ + 2.0000 H2O - log_k 19.1113 - -delta_H -152.256 kJ/mol # Calculated enthalpy of reaction Fayalite + Fe2SiO4 + 4 H+ = SiO2 + 2 Fe+2 + 2 H2O + log_k 19.1113 + -delta_H -152.256 kJ/mol # Calculated enthalpy of reaction Fayalite # Enthalpy of formation: -354.119 kcal/mol - -analytic 1.3853e+001 -3.5501e-003 7.1496e+003 -6.8710e+000 -6.3310e+004 + -analytic 1.3853e+1 -3.5501e-3 7.1496e+3 -6.871e+0 -6.331e+4 # -Range: 0-300 Fe - Fe +2.0000 H+ +0.5000 O2 = + 1.0000 Fe++ + 1.0000 H2O - log_k 59.0325 - -delta_H -372.029 kJ/mol # Calculated enthalpy of reaction Fe + Fe + 2 H+ + 0.5 O2 = Fe+2 + H2O + log_k 59.0325 + -delta_H -372.029 kJ/mol # Calculated enthalpy of reaction Fe # Enthalpy of formation: 0 kcal/mol - -analytic -6.2882e+001 -2.0379e-002 2.0690e+004 2.3673e+001 3.2287e+002 + -analytic -6.2882e+1 -2.0379e-2 2.069e+4 2.3673e+1 3.2287e+2 # -Range: 0-300 Fe(OH)2 - Fe(OH)2 +2.0000 H+ = + 1.0000 Fe++ + 2.0000 H2O - log_k 13.9045 - -delta_H -95.4089 kJ/mol # Calculated enthalpy of reaction Fe(OH)2 + Fe(OH)2 + 2 H+ = Fe+2 + 2 H2O + log_k 13.9045 + -delta_H -95.4089 kJ/mol # Calculated enthalpy of reaction Fe(OH)2 # Enthalpy of formation: -568.525 kJ/mol - -analytic -8.6666e+001 -1.8440e-002 7.5723e+003 3.2597e+001 1.1818e+002 + -analytic -8.6666e+1 -1.844e-2 7.5723e+3 3.2597e+1 1.1818e+2 # -Range: 0-300 Fe(OH)3 - Fe(OH)3 +3.0000 H+ = + 1.0000 Fe+++ + 3.0000 H2O - log_k 5.6556 - -delta_H -84.0824 kJ/mol # Calculated enthalpy of reaction Fe(OH)3 + Fe(OH)3 + 3 H+ = Fe+3 + 3 H2O + log_k 5.6556 + -delta_H -84.0824 kJ/mol # Calculated enthalpy of reaction Fe(OH)3 # Enthalpy of formation: -823.013 kJ/mol - -analytic -1.3316e+002 -3.1284e-002 7.9753e+003 4.9052e+001 1.2449e+002 + -analytic -1.3316e+2 -3.1284e-2 7.9753e+3 4.9052e+1 1.2449e+2 # -Range: 0-300 Fe2(SO4)3 - Fe2(SO4)3 = + 2.0000 Fe+++ + 3.0000 SO4-- - log_k 3.2058 - -delta_H -250.806 kJ/mol # Calculated enthalpy of reaction Fe2(SO4)3 + Fe2(SO4)3 = 2 Fe+3 + 3 SO4-2 + log_k 3.2058 + -delta_H -250.806 kJ/mol # Calculated enthalpy of reaction Fe2(SO4)3 # Enthalpy of formation: -2577.16 kJ/mol - -analytic -5.8649e+002 -2.3718e-001 2.2736e+004 2.3601e+002 3.5495e+002 + -analytic -5.8649e+2 -2.3718e-1 2.2736e+4 2.3601e+2 3.5495e+2 # -Range: 0-300 FeF2 - FeF2 = + 1.0000 Fe++ + 2.0000 F- - log_k -2.3817 - -delta_H -51.6924 kJ/mol # Calculated enthalpy of reaction FeF2 + FeF2 = Fe+2 + 2 F- + log_k -2.3817 + -delta_H -51.6924 kJ/mol # Calculated enthalpy of reaction FeF2 # Enthalpy of formation: -711.26 kJ/mol - -analytic -2.5687e+002 -8.4091e-002 8.4262e+003 1.0154e+002 1.3156e+002 + -analytic -2.5687e+2 -8.4091e-2 8.4262e+3 1.0154e+2 1.3156e+2 # -Range: 0-300 FeF3 - FeF3 = + 1.0000 Fe+++ + 3.0000 F- - log_k -19.2388 - -delta_H -13.8072 kJ/mol # Calculated enthalpy of reaction FeF3 + FeF3 = Fe+3 + 3 F- + log_k -19.2388 + -delta_H -13.8072 kJ/mol # Calculated enthalpy of reaction FeF3 # Enthalpy of formation: -249 kcal/mol - -analytic -1.6215e+001 -3.7450e-002 -1.8926e+003 5.8485e+000 -3.2134e+001 + -analytic -1.6215e+1 -3.745e-2 -1.8926e+3 5.8485e+0 -3.2134e+1 # -Range: 0-200 FeO - FeO +2.0000 H+ = + 1.0000 Fe++ + 1.0000 H2O - log_k 13.5318 - -delta_H -106.052 kJ/mol # Calculated enthalpy of reaction FeO + FeO + 2 H+ = Fe+2 + H2O + log_k 13.5318 + -delta_H -106.052 kJ/mol # Calculated enthalpy of reaction FeO # Enthalpy of formation: -65.02 kcal/mol - -analytic -7.8750e+001 -1.8268e-002 7.6852e+003 2.9074e+001 1.1994e+002 + -analytic -7.875e+1 -1.8268e-2 7.6852e+3 2.9074e+1 1.1994e+2 # -Range: 0-300 FeSO4 - FeSO4 = + 1.0000 Fe++ + 1.0000 SO4-- - log_k 2.6565 - -delta_H -73.0878 kJ/mol # Calculated enthalpy of reaction FeSO4 + FeSO4 = Fe+2 + SO4-2 + log_k 2.6565 + -delta_H -73.0878 kJ/mol # Calculated enthalpy of reaction FeSO4 # Enthalpy of formation: -928.771 kJ/mol - -analytic -2.0794e+002 -7.6891e-002 7.8705e+003 8.3685e+001 1.2287e+002 + -analytic -2.0794e+2 -7.6891e-2 7.8705e+3 8.3685e+1 1.2287e+2 # -Range: 0-300 FeV2O4 - FeV2O4 +8.0000 H+ = + 1.0000 Fe++ + 2.0000 V+++ + 4.0000 H2O - log_k 280.5528 - -delta_H -1733.42 kJ/mol # Calculated enthalpy of reaction FeV2O4 + FeV2O4 + 8 H+ = Fe+2 + 2 V+3 + 4 H2O + log_k 280.5528 + -delta_H -1733.42 kJ/mol # Calculated enthalpy of reaction FeV2O4 # Enthalpy of formation: -5.8 kcal/mol - -analytic -1.6736e+002 -1.9398e-002 9.5736e+004 5.3582e+001 1.6258e+003 + -analytic -1.6736e+2 -1.9398e-2 9.5736e+4 5.3582e+1 1.6258e+3 # -Range: 0-200 Ferrite-Ca - CaFe2O4 +8.0000 H+ = + 1.0000 Ca++ + 2.0000 Fe+++ + 4.0000 H2O - log_k 21.5217 - -delta_H -264.738 kJ/mol # Calculated enthalpy of reaction Ferrite-Ca + CaFe2O4 + 8 H+ = Ca+2 + 2 Fe+3 + 4 H2O + log_k 21.5217 + -delta_H -264.738 kJ/mol # Calculated enthalpy of reaction Ferrite-Ca # Enthalpy of formation: -363.494 kcal/mol - -analytic -2.8472e+002 -7.5870e-002 2.0688e+004 1.0485e+002 3.2289e+002 + -analytic -2.8472e+2 -7.587e-2 2.0688e+4 1.0485e+2 3.2289e+2 # -Range: 0-300 Ferrite-Cu - CuFe2O4 +8.0000 H+ = + 1.0000 Cu++ + 2.0000 Fe+++ + 4.0000 H2O - log_k 10.3160 - -delta_H -211.647 kJ/mol # Calculated enthalpy of reaction Ferrite-Cu + CuFe2O4 + 8 H+ = Cu+2 + 2 Fe+3 + 4 H2O + log_k 10.316 + -delta_H -211.647 kJ/mol # Calculated enthalpy of reaction Ferrite-Cu # Enthalpy of formation: -965.178 kJ/mol - -analytic -3.1271e+002 -7.9976e-002 1.8818e+004 1.1466e+002 2.9374e+002 + -analytic -3.1271e+2 -7.9976e-2 1.8818e+4 1.1466e+2 2.9374e+2 # -Range: 0-300 Ferrite-Dicalcium - Ca2Fe2O5 +10.0000 H+ = + 2.0000 Ca++ + 2.0000 Fe+++ + 5.0000 H2O - log_k 56.8331 - -delta_H -475.261 kJ/mol # Calculated enthalpy of reaction Ferrite-Dicalcium + Ca2Fe2O5 + 10 H+ = 2 Ca+2 + 2 Fe+3 + 5 H2O + log_k 56.8331 + -delta_H -475.261 kJ/mol # Calculated enthalpy of reaction Ferrite-Dicalcium # Enthalpy of formation: -2139.26 kJ/mol - -analytic -3.6277e+002 -9.5015e-002 3.3898e+004 1.3506e+002 5.2906e+002 + -analytic -3.6277e+2 -9.5015e-2 3.3898e+4 1.3506e+2 5.2906e+2 # -Range: 0-300 Ferrite-Mg - MgFe2O4 +8.0000 H+ = + 1.0000 Mg++ + 2.0000 Fe+++ + 4.0000 H2O - log_k 21.0551 - -delta_H -280.056 kJ/mol # Calculated enthalpy of reaction Ferrite-Mg + MgFe2O4 + 8 H+ = Mg+2 + 2 Fe+3 + 4 H2O + log_k 21.0551 + -delta_H -280.056 kJ/mol # Calculated enthalpy of reaction Ferrite-Mg # Enthalpy of formation: -1428.42 kJ/mol - -analytic -2.8297e+002 -7.4820e-002 2.1333e+004 1.0295e+002 3.3296e+002 + -analytic -2.8297e+2 -7.482e-2 2.1333e+4 1.0295e+2 3.3296e+2 # -Range: 0-300 Ferrite-Zn - ZnFe2O4 +8.0000 H+ = + 1.0000 Zn++ + 2.0000 Fe+++ + 4.0000 H2O - log_k 11.7342 - -delta_H -226.609 kJ/mol # Calculated enthalpy of reaction Ferrite-Zn + ZnFe2O4 + 8 H+ = Zn+2 + 2 Fe+3 + 4 H2O + log_k 11.7342 + -delta_H -226.609 kJ/mol # Calculated enthalpy of reaction Ferrite-Zn # Enthalpy of formation: -1169.29 kJ/mol - -analytic -2.9809e+002 -7.7263e-002 1.9067e+004 1.0866e+002 2.9761e+002 + -analytic -2.9809e+2 -7.7263e-2 1.9067e+4 1.0866e+2 2.9761e+2 # -Range: 0-300 Ferroselite - FeSe2 +0.5000 H2O = + 0.2500 O2 + 1.0000 Fe+++ + 1.0000 H+ + 2.0000 Se-- - log_k -80.7998 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ferroselite + FeSe2 + 0.5 H2O = 0.25 O2 + Fe+3 + H+ + 2 Se-2 + log_k -80.7998 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ferroselite # Enthalpy of formation: -25 kcal/mol - -analytic -7.2971e+001 -2.4992e-002 -1.6246e+004 2.1860e+001 -2.5348e+002 + -analytic -7.2971e+1 -2.4992e-2 -1.6246e+4 2.186e+1 -2.5348e+2 # -Range: 0-300 Ferrosilite - FeSiO3 +2.0000 H+ = + 1.0000 Fe++ + 1.0000 H2O + 1.0000 SiO2 - log_k 7.4471 - -delta_H -60.6011 kJ/mol # Calculated enthalpy of reaction Ferrosilite + FeSiO3 + 2 H+ = Fe+2 + H2O + SiO2 + log_k 7.4471 + -delta_H -60.6011 kJ/mol # Calculated enthalpy of reaction Ferrosilite # Enthalpy of formation: -285.658 kcal/mol - -analytic 9.0041e+000 3.7917e-003 5.1625e+003 -6.3009e+000 -3.9565e+005 + -analytic 9.0041e+0 3.7917e-3 5.1625e+3 -6.3009e+0 -3.9565e+5 # -Range: 0-300 Fluorapatite - Ca5(PO4)3F +3.0000 H+ = + 1.0000 F- + 3.0000 HPO4-- + 5.0000 Ca++ - log_k -24.9940 - -delta_H -90.8915 kJ/mol # Calculated enthalpy of reaction Fluorapatite + Ca5(PO4)3F + 3 H+ = F- + 3 HPO4-2 + 5 Ca+2 + log_k -24.994 + -delta_H -90.8915 kJ/mol # Calculated enthalpy of reaction Fluorapatite # Enthalpy of formation: -6836.12 kJ/mol - -analytic -9.3648e+002 -3.2688e-001 2.4398e+004 3.7461e+002 3.8098e+002 + -analytic -9.3648e+2 -3.2688e-1 2.4398e+4 3.7461e+2 3.8098e+2 # -Range: 0-300 Fluorite - CaF2 = + 1.0000 Ca++ + 2.0000 F- - log_k -10.0370 - -delta_H 12.1336 kJ/mol # Calculated enthalpy of reaction Fluorite + CaF2 = Ca+2 + 2 F- + log_k -10.037 + -delta_H 12.1336 kJ/mol # Calculated enthalpy of reaction Fluorite # Enthalpy of formation: -293 kcal/mol - -analytic -2.5036e+002 -8.4183e-002 4.9525e+003 1.0054e+002 7.7353e+001 + -analytic -2.5036e+2 -8.4183e-2 4.9525e+3 1.0054e+2 7.7353e+1 # -Range: 0-300 Forsterite - Mg2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Mg++ - log_k 27.8626 - -delta_H -205.614 kJ/mol # Calculated enthalpy of reaction Forsterite + Mg2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Mg+2 + log_k 27.8626 + -delta_H -205.614 kJ/mol # Calculated enthalpy of reaction Forsterite # Enthalpy of formation: -520 kcal/mol - -analytic -7.6195e+001 -1.4013e-002 1.4763e+004 2.5090e+001 -3.0379e+005 + -analytic -7.6195e+1 -1.4013e-2 1.4763e+4 2.509e+1 -3.0379e+5 # -Range: 0-300 Foshagite - Ca4Si3O9(OH)2:0.5H2O +8.0000 H+ = + 3.0000 SiO2 + 4.0000 Ca++ + 5.5000 H2O - log_k 65.9210 - -delta_H -359.839 kJ/mol # Calculated enthalpy of reaction Foshagite + Ca4Si3O9(OH)2:0.5H2O + 8 H+ = 3 SiO2 + 4 Ca+2 + 5.5 H2O + log_k 65.921 + -delta_H -359.839 kJ/mol # Calculated enthalpy of reaction Foshagite # Enthalpy of formation: -1438.27 kcal/mol - -analytic 2.9983e+001 5.5272e-003 2.3427e+004 -1.3879e+001 -8.9461e+005 + -analytic 2.9983e+1 5.5272e-3 2.3427e+4 -1.3879e+1 -8.9461e+5 # -Range: 0-300 Frankdicksonite - BaF2 = + 1.0000 Ba++ + 2.0000 F- - log_k -5.7600 - -delta_H 0 # Not possible to calculate enthalpy of reaction Frankdicksonite + BaF2 = Ba+2 + 2 F- + log_k -5.76 + -delta_H 0 # Not possible to calculate enthalpy of reaction Frankdicksonite # Enthalpy of formation: 0 kcal/mol Freboldite - CoSe = + 1.0000 Co++ + 1.0000 Se-- - log_k -24.3358 - -delta_H 0 # Not possible to calculate enthalpy of reaction Freboldite + CoSe = Co+2 + Se-2 + log_k -24.3358 + -delta_H 0 # Not possible to calculate enthalpy of reaction Freboldite # Enthalpy of formation: -15.295 kcal/mol - -analytic -1.3763e+001 -1.6924e-003 -3.6938e+003 9.3574e-001 -6.2723e+001 + -analytic -1.3763e+1 -1.6924e-3 -3.6938e+3 9.3574e-1 -6.2723e+1 # -Range: 0-200 Ga - Ga +3.0000 H+ +0.7500 O2 = + 1.0000 Ga+++ + 1.5000 H2O - log_k 92.3567 - -delta_H -631.368 kJ/mol # Calculated enthalpy of reaction Ga + Ga + 3 H+ + 0.75 O2 = Ga+3 + 1.5 H2O + log_k 92.3567 + -delta_H -631.368 kJ/mol # Calculated enthalpy of reaction Ga # Enthalpy of formation: 0 kJ/mol - -analytic -1.3027e+002 -3.9539e-002 3.6027e+004 4.6280e+001 -8.5461e+004 + -analytic -1.3027e+2 -3.9539e-2 3.6027e+4 4.628e+1 -8.5461e+4 # -Range: 0-300 Galena - PbS +1.0000 H+ = + 1.0000 HS- + 1.0000 Pb++ - log_k -14.8544 - -delta_H 83.1361 kJ/mol # Calculated enthalpy of reaction Galena + PbS + H+ = HS- + Pb+2 + log_k -14.8544 + -delta_H 83.1361 kJ/mol # Calculated enthalpy of reaction Galena # Enthalpy of formation: -23.5 kcal/mol - -analytic -1.2124e+002 -4.3477e-002 -1.6463e+003 5.0454e+001 -2.5654e+001 + -analytic -1.2124e+2 -4.3477e-2 -1.6463e+3 5.0454e+1 -2.5654e+1 # -Range: 0-300 Gaylussite - CaNa2(CO3)2:5H2O +2.0000 H+ = + 1.0000 Ca++ + 2.0000 HCO3- + 2.0000 Na+ + 5.0000 H2O - log_k 11.1641 - -delta_H 0 # Not possible to calculate enthalpy of reaction Gaylussite + CaNa2(CO3)2:5H2O + 2 H+ = Ca+2 + 2 HCO3- + 2 Na+ + 5 H2O + log_k 11.1641 + -delta_H 0 # Not possible to calculate enthalpy of reaction Gaylussite # Enthalpy of formation: 0 kcal/mol Gd - Gd +3.0000 H+ +0.7500 O2 = + 1.0000 Gd+++ + 1.5000 H2O - log_k 180.7573 - -delta_H -1106.67 kJ/mol # Calculated enthalpy of reaction Gd + Gd + 3 H+ + 0.75 O2 = Gd+3 + 1.5 H2O + log_k 180.7573 + -delta_H -1106.67 kJ/mol # Calculated enthalpy of reaction Gd # Enthalpy of formation: 0 kJ/mol - -analytic -3.3949e+002 -6.5698e-002 7.4278e+004 1.2189e+002 -9.7055e+005 + -analytic -3.3949e+2 -6.5698e-2 7.4278e+4 1.2189e+2 -9.7055e+5 # -Range: 0-300 Gd(OH)3 - Gd(OH)3 +3.0000 H+ = + 1.0000 Gd+++ + 3.0000 H2O - log_k 15.5852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Gd(OH)3 + Gd(OH)3 + 3 H+ = Gd+3 + 3 H2O + log_k 15.5852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Gd(OH)3 # Enthalpy of formation: 0 kcal/mol Gd(OH)3(am) - Gd(OH)3 +3.0000 H+ = + 1.0000 Gd+++ + 3.0000 H2O - log_k 17.9852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Gd(OH)3(am) + Gd(OH)3 + 3 H+ = Gd+3 + 3 H2O + log_k 17.9852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Gd(OH)3(am) # Enthalpy of formation: 0 kcal/mol Gd2(CO3)3 - Gd2(CO3)3 +3.0000 H+ = + 2.0000 Gd+++ + 3.0000 HCO3- - log_k -3.7136 - -delta_H 0 # Not possible to calculate enthalpy of reaction Gd2(CO3)3 + Gd2(CO3)3 + 3 H+ = 2 Gd+3 + 3 HCO3- + log_k -3.7136 + -delta_H 0 # Not possible to calculate enthalpy of reaction Gd2(CO3)3 # Enthalpy of formation: 0 kcal/mol Gd2O3 - Gd2O3 +6.0000 H+ = + 2.0000 Gd+++ + 3.0000 H2O - log_k 53.8000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Gd2O3 + Gd2O3 + 6 H+ = 2 Gd+3 + 3 H2O + log_k 53.8 + -delta_H 0 # Not possible to calculate enthalpy of reaction Gd2O3 # Enthalpy of formation: 0 kcal/mol GdF3:.5H2O - GdF3:.5H2O = + 0.5000 H2O + 1.0000 Gd+++ + 3.0000 F- - log_k -16.9000 - -delta_H 0 # Not possible to calculate enthalpy of reaction GdF3:.5H2O + GdF3:.5H2O = 0.5 H2O + Gd+3 + 3 F- + log_k -16.9 + -delta_H 0 # Not possible to calculate enthalpy of reaction GdF3:.5H2O # Enthalpy of formation: 0 kcal/mol GdPO4:10H2O - GdPO4:10H2O +1.0000 H+ = + 1.0000 Gd+++ + 1.0000 HPO4-- + 10.0000 H2O - log_k -11.9782 - -delta_H 0 # Not possible to calculate enthalpy of reaction GdPO4:10H2O + GdPO4:10H2O + H+ = Gd+3 + HPO4-2 + 10 H2O + log_k -11.9782 + -delta_H 0 # Not possible to calculate enthalpy of reaction GdPO4:10H2O # Enthalpy of formation: 0 kcal/mol Gehlenite - Ca2Al2SiO7 +10.0000 H+ = + 1.0000 SiO2 + 2.0000 Al+++ + 2.0000 Ca++ + 5.0000 H2O - log_k 56.2997 - -delta_H -489.934 kJ/mol # Calculated enthalpy of reaction Gehlenite + Ca2Al2SiO7 + 10 H+ = SiO2 + 2 Al+3 + 2 Ca+2 + 5 H2O + log_k 56.2997 + -delta_H -489.934 kJ/mol # Calculated enthalpy of reaction Gehlenite # Enthalpy of formation: -951.225 kcal/mol - -analytic -2.1784e+002 -6.7200e-002 2.9779e+004 7.8488e+001 4.6473e+002 + -analytic -2.1784e+2 -6.72e-2 2.9779e+4 7.8488e+1 4.6473e+2 # -Range: 0-300 Gibbsite - Al(OH)3 +3.0000 H+ = + 1.0000 Al+++ + 3.0000 H2O - log_k 7.7560 - -delta_H -102.788 kJ/mol # Calculated enthalpy of reaction Gibbsite + Al(OH)3 + 3 H+ = Al+3 + 3 H2O + log_k 7.756 + -delta_H -102.788 kJ/mol # Calculated enthalpy of reaction Gibbsite # Enthalpy of formation: -309.065 kcal/mol - -analytic -1.1403e+002 -3.6453e-002 7.7236e+003 4.3134e+001 1.2055e+002 + -analytic -1.1403e+2 -3.6453e-2 7.7236e+3 4.3134e+1 1.2055e+2 # -Range: 0-300 Gismondine - Ca2Al4Si4O16:9H2O +16.0000 H+ = + 2.0000 Ca++ + 4.0000 Al+++ + 4.0000 SiO2 + 17.0000 H2O - log_k 41.7170 - -delta_H 0 # Not possible to calculate enthalpy of reaction Gismondine + Ca2Al4Si4O16:9H2O + 16 H+ = 2 Ca+2 + 4 Al+3 + 4 SiO2 + 17 H2O + log_k 41.717 + -delta_H 0 # Not possible to calculate enthalpy of reaction Gismondine # Enthalpy of formation: 0 kcal/mol Glauberite - Na2Ca(SO4)2 = + 1.0000 Ca++ + 2.0000 Na+ + 2.0000 SO4-- - log_k -5.4690 - -delta_H 0 # Not possible to calculate enthalpy of reaction Glauberite + Na2Ca(SO4)2 = Ca+2 + 2 Na+ + 2 SO4-2 + log_k -5.469 + -delta_H 0 # Not possible to calculate enthalpy of reaction Glauberite # Enthalpy of formation: 0 kcal/mol Goethite - FeOOH +3.0000 H+ = + 1.0000 Fe+++ + 2.0000 H2O - log_k 0.5345 - -delta_H -61.9291 kJ/mol # Calculated enthalpy of reaction Goethite + FeOOH + 3 H+ = Fe+3 + 2 H2O + log_k 0.5345 + -delta_H -61.9291 kJ/mol # Calculated enthalpy of reaction Goethite # Enthalpy of formation: -559.328 kJ/mol - -analytic -6.0331e+001 -1.0847e-002 4.7759e+003 1.9429e+001 8.1122e+001 + -analytic -6.0331e+1 -1.0847e-2 4.7759e+3 1.9429e+1 8.1122e+1 # -Range: 0-200 Greenalite - Fe3Si2O5(OH)4 +6.0000 H+ = + 2.0000 SiO2 + 3.0000 Fe++ + 5.0000 H2O - log_k 22.6701 - -delta_H -165.297 kJ/mol # Calculated enthalpy of reaction Greenalite + Fe3Si2O5(OH)4 + 6 H+ = 2 SiO2 + 3 Fe+2 + 5 H2O + log_k 22.6701 + -delta_H -165.297 kJ/mol # Calculated enthalpy of reaction Greenalite # Enthalpy of formation: -787.778 kcal/mol - -analytic -1.4187e+001 -3.8377e-003 1.1710e+004 1.6442e+000 -4.8290e+005 + -analytic -1.4187e+1 -3.8377e-3 1.171e+4 1.6442e+0 -4.829e+5 # -Range: 0-300 Grossular - Ca3Al2(SiO4)3 +12.0000 H+ = + 2.0000 Al+++ + 3.0000 Ca++ + 3.0000 SiO2 + 6.0000 H2O - log_k 51.9228 - -delta_H -432.006 kJ/mol # Calculated enthalpy of reaction Grossular + Ca3Al2(SiO4)3 + 12 H+ = 2 Al+3 + 3 Ca+2 + 3 SiO2 + 6 H2O + log_k 51.9228 + -delta_H -432.006 kJ/mol # Calculated enthalpy of reaction Grossular # Enthalpy of formation: -1582.74 kcal/mol - -analytic 2.9389e+001 -2.2478e-002 2.0323e+004 -1.4624e+001 -2.5674e+005 + -analytic 2.9389e+1 -2.2478e-2 2.0323e+4 -1.4624e+1 -2.5674e+5 # -Range: 0-300 Gypsum - CaSO4:2H2O = + 1.0000 Ca++ + 1.0000 SO4-- + 2.0000 H2O - log_k -4.4823 - -delta_H -1.66746 kJ/mol # Calculated enthalpy of reaction Gypsum + CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O + log_k -4.4823 + -delta_H -1.66746 kJ/mol # Calculated enthalpy of reaction Gypsum # Enthalpy of formation: -2022.69 kJ/mol - -analytic -2.4417e+002 -8.3329e-002 5.5958e+003 9.9301e+001 8.7389e+001 + -analytic -2.4417e+2 -8.3329e-2 5.5958e+3 9.9301e+1 8.7389e+1 # -Range: 0-300 Gyrolite - Ca2Si3O7(OH)2:1.5H2O +4.0000 H+ = + 2.0000 Ca++ + 3.0000 SiO2 + 4.5000 H2O - log_k 22.9099 - -delta_H -82.862 kJ/mol # Calculated enthalpy of reaction Gyrolite + Ca2Si3O7(OH)2:1.5H2O + 4 H+ = 2 Ca+2 + 3 SiO2 + 4.5 H2O + log_k 22.9099 + -delta_H -82.862 kJ/mol # Calculated enthalpy of reaction Gyrolite # Enthalpy of formation: -1176.55 kcal/mol - -analytic -2.4416e+001 1.4646e-002 1.6181e+004 2.3723e+000 -1.5369e+006 + -analytic -2.4416e+1 1.4646e-2 1.6181e+4 2.3723e+0 -1.5369e+6 # -Range: 0-300 HTcO4 - HTcO4 = + 1.0000 H+ + 1.0000 TcO4- - log_k 5.9566 - -delta_H -12.324 kJ/mol # Calculated enthalpy of reaction HTcO4 + HTcO4 = H+ + TcO4- + log_k 5.9566 + -delta_H -12.324 kJ/mol # Calculated enthalpy of reaction HTcO4 # Enthalpy of formation: -703.945 kJ/mol - -analytic 3.0005e+001 7.6416e-003 -5.3546e+001 -1.0568e+001 -9.1953e-001 + -analytic 3.0005e+1 7.6416e-3 -5.3546e+1 -1.0568e+1 -9.1953e-1 # -Range: 0-200 Haiweeite - Ca(UO2)2(Si2O5)3:5H2O +6.0000 H+ = + 1.0000 Ca++ + 2.0000 UO2++ + 6.0000 SiO2 + 8.0000 H2O - log_k -7.0413 - -delta_H 0 # Not possible to calculate enthalpy of reaction Haiweeite + Ca(UO2)2(Si2O5)3:5H2O + 6 H+ = Ca+2 + 2 UO2+2 + 6 SiO2 + 8 H2O + log_k -7.0413 + -delta_H 0 # Not possible to calculate enthalpy of reaction Haiweeite # Enthalpy of formation: 0 kcal/mol Halite - NaCl = + 1.0000 Cl- + 1.0000 Na+ - log_k 1.5855 - -delta_H 3.7405 kJ/mol # Calculated enthalpy of reaction Halite + NaCl = Cl- + Na+ + log_k 1.5855 + -delta_H 3.7405 kJ/mol # Calculated enthalpy of reaction Halite # Enthalpy of formation: -98.26 kcal/mol - -analytic -1.0163e+002 -3.4761e-002 2.2796e+003 4.2802e+001 3.5602e+001 + -analytic -1.0163e+2 -3.4761e-2 2.2796e+3 4.2802e+1 3.5602e+1 # -Range: 0-300 Hatrurite - Ca3SiO5 +6.0000 H+ = + 1.0000 SiO2 + 3.0000 Ca++ + 3.0000 H2O - log_k 73.4056 - -delta_H -434.684 kJ/mol # Calculated enthalpy of reaction Hatrurite + Ca3SiO5 + 6 H+ = SiO2 + 3 Ca+2 + 3 H2O + log_k 73.4056 + -delta_H -434.684 kJ/mol # Calculated enthalpy of reaction Hatrurite # Enthalpy of formation: -700.234 kcal/mol - -analytic -4.5448e+001 -1.9998e-002 2.3800e+004 1.8494e+001 -7.3385e+004 + -analytic -4.5448e+1 -1.9998e-2 2.38e+4 1.8494e+1 -7.3385e+4 # -Range: 0-300 Hausmannite - Mn3O4 +8.0000 H+ = + 1.0000 Mn++ + 2.0000 Mn+++ + 4.0000 H2O - log_k 10.1598 - -delta_H -268.121 kJ/mol # Calculated enthalpy of reaction Hausmannite + Mn3O4 + 8 H+ = Mn+2 + 2 Mn+3 + 4 H2O + log_k 10.1598 + -delta_H -268.121 kJ/mol # Calculated enthalpy of reaction Hausmannite # Enthalpy of formation: -1387.83 kJ/mol - -analytic -2.0600e+002 -2.2214e-002 2.0160e+004 6.2700e+001 3.1464e+002 + -analytic -2.06e+2 -2.2214e-2 2.016e+4 6.27e+1 3.1464e+2 # -Range: 0-300 Heazlewoodite - Ni3S2 +4.0000 H+ +0.5000 O2 = + 1.0000 H2O + 2.0000 HS- + 3.0000 Ni++ - log_k 28.2477 - -delta_H -270.897 kJ/mol # Calculated enthalpy of reaction Heazlewoodite + Ni3S2 + 4 H+ + 0.5 O2 = H2O + 2 HS- + 3 Ni+2 + log_k 28.2477 + -delta_H -270.897 kJ/mol # Calculated enthalpy of reaction Heazlewoodite # Enthalpy of formation: -203.012 kJ/mol - -analytic -3.5439e+002 -1.1740e-001 2.1811e+004 1.3919e+002 3.4044e+002 + -analytic -3.5439e+2 -1.174e-1 2.1811e+4 1.3919e+2 3.4044e+2 # -Range: 0-300 Hedenbergite - CaFe(SiO3)2 +4.0000 H+ = + 1.0000 Ca++ + 1.0000 Fe++ + 2.0000 H2O + 2.0000 SiO2 - log_k 19.6060 - -delta_H -124.507 kJ/mol # Calculated enthalpy of reaction Hedenbergite + CaFe(SiO3)2 + 4 H+ = Ca+2 + Fe+2 + 2 H2O + 2 SiO2 + log_k 19.606 + -delta_H -124.507 kJ/mol # Calculated enthalpy of reaction Hedenbergite # Enthalpy of formation: -678.276 kcal/mol - -analytic -1.9473e+001 1.5288e-003 1.2910e+004 2.1729e+000 -9.0058e+005 + -analytic -1.9473e+1 1.5288e-3 1.291e+4 2.1729e+0 -9.0058e+5 # -Range: 0-300 Hematite - Fe2O3 +6.0000 H+ = + 2.0000 Fe+++ + 3.0000 H2O - log_k 0.1086 - -delta_H -129.415 kJ/mol # Calculated enthalpy of reaction Hematite + Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O + log_k 0.1086 + -delta_H -129.415 kJ/mol # Calculated enthalpy of reaction Hematite # Enthalpy of formation: -197.72 kcal/mol - -analytic -2.2015e+002 -6.0290e-002 1.1812e+004 8.0253e+001 1.8438e+002 + -analytic -2.2015e+2 -6.029e-2 1.1812e+4 8.0253e+1 1.8438e+2 # -Range: 0-300 Hercynite - FeAl2O4 +8.0000 H+ = + 1.0000 Fe++ + 2.0000 Al+++ + 4.0000 H2O - log_k 28.8484 - -delta_H -345.961 kJ/mol # Calculated enthalpy of reaction Hercynite + FeAl2O4 + 8 H+ = Fe+2 + 2 Al+3 + 4 H2O + log_k 28.8484 + -delta_H -345.961 kJ/mol # Calculated enthalpy of reaction Hercynite # Enthalpy of formation: -1966.45 kJ/mol - -analytic -3.1848e+002 -7.9501e-002 2.5892e+004 1.1483e+002 4.0412e+002 + -analytic -3.1848e+2 -7.9501e-2 2.5892e+4 1.1483e+2 4.0412e+2 # -Range: 0-300 Herzenbergite - SnS +1.0000 H+ = + 1.0000 HS- + 1.0000 Sn++ - log_k -15.5786 - -delta_H 81.6466 kJ/mol # Calculated enthalpy of reaction Herzenbergite + SnS + H+ = HS- + Sn+2 + log_k -15.5786 + -delta_H 81.6466 kJ/mol # Calculated enthalpy of reaction Herzenbergite # Enthalpy of formation: -25.464 kcal/mol - -analytic -1.3576e+002 -4.6594e-002 -1.1572e+003 5.5740e+001 -1.8018e+001 + -analytic -1.3576e+2 -4.6594e-2 -1.1572e+3 5.574e+1 -1.8018e+1 # -Range: 0-300 Heulandite # Ba.065Sr.175Ca.585K.132Na.383Al2.165Si6.835O18:6 +8.6600 H+ = + 0.0650 Ba++ + 0.1320 K+ + 0.1750 Sr++ + 0.3830 Na+ + 0.5850 Ca++ + 2.1650 Al+++ + 6.8350 SiO2 + 10.3300 H2O - Ba.065Sr.175Ca.585K.132Na.383Al2.165Si6.835O18:6H2O +8.6600 H+ = + 0.0650 Ba++ + 0.1320 K+ + 0.1750 Sr++ + 0.3830 Na+ + 0.5850 Ca++ + 2.1650 Al+++ + 6.8350 SiO2 + 10.3300 H2O - log_k 3.3506 - -delta_H -97.2942 kJ/mol # Calculated enthalpy of reaction Heulandite + Ba.065Sr.175Ca.585K.132Na.383Al2.165Si6.835O18:6H2O + 8.66 H+ = 0.065 Ba+2 + 0.132 K+ + 0.175 Sr+2 + 0.383 Na+ + 0.585 Ca+2 + 2.165 Al+3 + 6.835 SiO2 + 10.33 H2O + log_k 3.3506 + -delta_H -97.2942 kJ/mol # Calculated enthalpy of reaction Heulandite # Enthalpy of formation: -10594.5 kJ/mol - -analytic -1.8364e+001 2.7879e-002 2.8426e+004 -1.7427e+001 -3.4723e+006 + -analytic -1.8364e+1 2.7879e-2 2.8426e+4 -1.7427e+1 -3.4723e+6 # -Range: 0-300 Hexahydrite - MgSO4:6H2O = + 1.0000 Mg++ + 1.0000 SO4-- + 6.0000 H2O - log_k -1.7268 - -delta_H 0 # Not possible to calculate enthalpy of reaction Hexahydrite + MgSO4:6H2O = Mg+2 + SO4-2 + 6 H2O + log_k -1.7268 + -delta_H 0 # Not possible to calculate enthalpy of reaction Hexahydrite # Enthalpy of formation: 0 kcal/mol Hf(s) - Hf +4.0000 H+ +1.0000 O2 = + 1.0000 Hf++++ + 2.0000 H2O - log_k 189.9795 - -delta_H 0 # Not possible to calculate enthalpy of reaction Hf + Hf + 4 H+ + O2 = Hf+4 + 2 H2O + log_k 189.9795 + -delta_H 0 # Not possible to calculate enthalpy of reaction Hf # Enthalpy of formation: -0.003 kJ/mol HfB2 - HfB2 +2.7500 H+ +2.2500 H2O = + 0.7500 B(OH)3 + 1.0000 Hf++++ + 1.2500 BH4- - log_k 55.7691 - -delta_H 0 # Not possible to calculate enthalpy of reaction HfB2 + HfB2 + 2.75 H+ + 2.25 H2O = 0.75 B(OH)3 + Hf+4 + 1.25 BH4- + log_k 55.7691 + -delta_H 0 # Not possible to calculate enthalpy of reaction HfB2 # Enthalpy of formation: -78.6 kJ/mol HfBr2 - HfBr2 +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Hf++++ + 2.0000 Br- - log_k 114.9446 - -delta_H 0 # Not possible to calculate enthalpy of reaction HfBr2 + HfBr2 + 2 H+ + 0.5 O2 = H2O + Hf+4 + 2 Br- + log_k 114.9446 + -delta_H 0 # Not possible to calculate enthalpy of reaction HfBr2 # Enthalpy of formation: -98 kJ/mol HfBr4 - HfBr4 = + 1.0000 Hf++++ + 4.0000 Br- - log_k 48.2921 - -delta_H 0 # Not possible to calculate enthalpy of reaction HfBr4 + HfBr4 = Hf+4 + 4 Br- + log_k 48.2921 + -delta_H 0 # Not possible to calculate enthalpy of reaction HfBr4 # Enthalpy of formation: -183.1 kJ/mol HfC - HfC +3.0000 H+ +2.0000 O2 = + 1.0000 H2O + 1.0000 HCO3- + 1.0000 Hf++++ - log_k 215.0827 - -delta_H 0 # Not possible to calculate enthalpy of reaction HfC + HfC + 3 H+ + 2 O2 = H2O + HCO3- + Hf+4 + log_k 215.0827 + -delta_H 0 # Not possible to calculate enthalpy of reaction HfC # Enthalpy of formation: -54 kJ/mol HfCl2 - HfCl2 +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Hf++++ + 2.0000 Cl- - log_k 109.1624 - -delta_H 0 # Not possible to calculate enthalpy of reaction HfCl2 + HfCl2 + 2 H+ + 0.5 O2 = H2O + Hf+4 + 2 Cl- + log_k 109.1624 + -delta_H 0 # Not possible to calculate enthalpy of reaction HfCl2 # Enthalpy of formation: -125 kJ/mol HfCl4 - HfCl4 = + 1.0000 Hf++++ + 4.0000 Cl- - log_k 38.0919 - -delta_H 0 # Not possible to calculate enthalpy of reaction HfCl4 + HfCl4 = Hf+4 + 4 Cl- + log_k 38.0919 + -delta_H 0 # Not possible to calculate enthalpy of reaction HfCl4 # Enthalpy of formation: -236.7 kJ/mol HfF2 - HfF2 +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Hf++++ + 2.0000 F- - log_k 81.7647 - -delta_H 0 # Not possible to calculate enthalpy of reaction HfF2 + HfF2 + 2 H+ + 0.5 O2 = H2O + Hf+4 + 2 F- + log_k 81.7647 + -delta_H 0 # Not possible to calculate enthalpy of reaction HfF2 # Enthalpy of formation: -235 kJ/mol HfF4 - HfF4 = + 1.0000 Hf++++ + 4.0000 F- - log_k -19.2307 - -delta_H 0 # Not possible to calculate enthalpy of reaction HfF4 + HfF4 = Hf+4 + 4 F- + log_k -19.2307 + -delta_H 0 # Not possible to calculate enthalpy of reaction HfF4 # Enthalpy of formation: -461.4 kJ/mol HfI2 - HfI2 +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Hf++++ + 2.0000 I- - log_k 117.4971 - -delta_H 0 # Not possible to calculate enthalpy of reaction HfI2 + HfI2 + 2 H+ + 0.5 O2 = H2O + Hf+4 + 2 I- + log_k 117.4971 + -delta_H 0 # Not possible to calculate enthalpy of reaction HfI2 # Enthalpy of formation: -65 kJ/mol HfI4 - HfI4 = + 1.0000 Hf++++ + 4.0000 I- - log_k 54.1798 - -delta_H 0 # Not possible to calculate enthalpy of reaction HfI4 + HfI4 = Hf+4 + 4 I- + log_k 54.1798 + -delta_H 0 # Not possible to calculate enthalpy of reaction HfI4 # Enthalpy of formation: -118 kJ/mol HfN - HfN +4.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Hf++++ + 1.0000 NH3 - log_k 69.4646 - -delta_H 0 # Not possible to calculate enthalpy of reaction HfN + HfN + 4 H+ + 0.25 O2 = 0.5 H2O + Hf+4 + NH3 + log_k 69.4646 + -delta_H 0 # Not possible to calculate enthalpy of reaction HfN # Enthalpy of formation: -89.3 kJ/mol HfO2 - HfO2 +4.0000 H+ = + 1.0000 Hf++++ + 2.0000 H2O - log_k 1.1829 - -delta_H 0 # Not possible to calculate enthalpy of reaction HfO2 + HfO2 + 4 H+ = Hf+4 + 2 H2O + log_k 1.1829 + -delta_H 0 # Not possible to calculate enthalpy of reaction HfO2 # Enthalpy of formation: -267.1 kJ/mol HfS2 - HfS2 +2.0000 H+ = + 1.0000 Hf++++ + 2.0000 HS- - log_k -1.5845 - -delta_H 0 # Not possible to calculate enthalpy of reaction HfS2 + HfS2 + 2 H+ = Hf+4 + 2 HS- + log_k -1.5845 + -delta_H 0 # Not possible to calculate enthalpy of reaction HfS2 # Enthalpy of formation: -140 kJ/mol HfS3 - HfS3 +1.0000 H+ = + 1.0000 HS- + 1.0000 Hf++++ + 1.0000 S2-- - log_k -18.9936 - -delta_H 0 # Not possible to calculate enthalpy of reaction HfS3 + HfS3 + H+ = HS- + Hf+4 + S2-2 + log_k -18.9936 + -delta_H 0 # Not possible to calculate enthalpy of reaction HfS3 # Enthalpy of formation: -149 kJ/mol Hg2SO4 - Hg2SO4 = + 1.0000 Hg2++ + 1.0000 SO4-- - log_k -6.1170 - -delta_H 0.30448 kJ/mol # Calculated enthalpy of reaction Hg2SO4 + Hg2SO4 = Hg2+2 + SO4-2 + log_k -6.117 + -delta_H 0.30448 kJ/mol # Calculated enthalpy of reaction Hg2SO4 # Enthalpy of formation: -743.09 kJ/mol - -analytic -3.2342e+001 -1.9881e-002 1.6292e+003 1.0781e+001 2.7677e+001 + -analytic -3.2342e+1 -1.9881e-2 1.6292e+3 1.0781e+1 2.7677e+1 # -Range: 0-200 Hg2SeO3 - Hg2SeO3 = + 1.0000 Hg2++ + 1.0000 SeO3-- - log_k -14.2132 - -delta_H 0 # Not possible to calculate enthalpy of reaction Hg2SeO3 + Hg2SeO3 = Hg2+2 + SeO3-2 + log_k -14.2132 + -delta_H 0 # Not possible to calculate enthalpy of reaction Hg2SeO3 # Enthalpy of formation: 0 kcal/mol HgSeO3 - HgSeO3 = + 1.0000 Hg++ + 1.0000 SeO3-- - log_k -13.8957 - -delta_H 0 # Not possible to calculate enthalpy of reaction HgSeO3 + HgSeO3 = Hg+2 + SeO3-2 + log_k -13.8957 + -delta_H 0 # Not possible to calculate enthalpy of reaction HgSeO3 # Enthalpy of formation: 0 kcal/mol Hillebrandite - Ca2SiO3(OH)2:0.17H2O +4.0000 H+ = + 1.0000 SiO2 + 2.0000 Ca++ + 3.1700 H2O - log_k 36.8190 - -delta_H -203.074 kJ/mol # Calculated enthalpy of reaction Hillebrandite + Ca2SiO3(OH)2:0.17H2O + 4 H+ = SiO2 + 2 Ca+2 + 3.17 H2O + log_k 36.819 + -delta_H -203.074 kJ/mol # Calculated enthalpy of reaction Hillebrandite # Enthalpy of formation: -637.404 kcal/mol - -analytic -1.9360e+001 -7.5176e-003 1.1947e+004 8.0558e+000 -1.4504e+005 + -analytic -1.936e+1 -7.5176e-3 1.1947e+4 8.0558e+0 -1.4504e+5 # -Range: 0-300 Hinsdalite - Al3PPbSO8(OH)6 +7.0000 H+ = + 1.0000 HPO4-- + 1.0000 Pb++ + 1.0000 SO4-- + 3.0000 Al+++ + 6.0000 H2O - log_k 9.8218 - -delta_H 0 # Not possible to calculate enthalpy of reaction Hinsdalite + Al3PPbSO8(OH)6 + 7 H+ = HPO4-2 + Pb+2 + SO4-2 + 3 Al+3 + 6 H2O + log_k 9.8218 + -delta_H 0 # Not possible to calculate enthalpy of reaction Hinsdalite # Enthalpy of formation: 0 kcal/mol Ho - Ho +3.0000 H+ +0.7500 O2 = + 1.0000 Ho+++ + 1.5000 H2O - log_k 182.8097 - -delta_H -1126.75 kJ/mol # Calculated enthalpy of reaction Ho + Ho + 3 H+ + 0.75 O2 = Ho+3 + 1.5 H2O + log_k 182.8097 + -delta_H -1126.75 kJ/mol # Calculated enthalpy of reaction Ho # Enthalpy of formation: 0 kJ/mol - -analytic -6.5903e+001 -2.8190e-002 5.9370e+004 2.3421e+001 9.2643e+002 + -analytic -6.5903e+1 -2.819e-2 5.937e+4 2.3421e+1 9.2643e+2 # -Range: 0-300 Ho(OH)3 - Ho(OH)3 +3.0000 H+ = + 1.0000 Ho+++ + 3.0000 H2O - log_k 15.3852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ho(OH)3 + Ho(OH)3 + 3 H+ = Ho+3 + 3 H2O + log_k 15.3852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ho(OH)3 # Enthalpy of formation: 0 kcal/mol Ho(OH)3(am) - Ho(OH)3 +3.0000 H+ = + 1.0000 Ho+++ + 3.0000 H2O - log_k 17.7852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ho(OH)3(am) + Ho(OH)3 + 3 H+ = Ho+3 + 3 H2O + log_k 17.7852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ho(OH)3(am) # Enthalpy of formation: 0 kcal/mol Ho2(CO3)3 - Ho2(CO3)3 +3.0000 H+ = + 2.0000 Ho+++ + 3.0000 HCO3- - log_k -2.8136 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ho2(CO3)3 + Ho2(CO3)3 + 3 H+ = 2 Ho+3 + 3 HCO3- + log_k -2.8136 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ho2(CO3)3 # Enthalpy of formation: 0 kcal/mol Ho2O3 - Ho2O3 +6.0000 H+ = + 2.0000 Ho+++ + 3.0000 H2O - log_k 47.3000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ho2O3 + Ho2O3 + 6 H+ = 2 Ho+3 + 3 H2O + log_k 47.3 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ho2O3 # Enthalpy of formation: 0 kcal/mol HoF3:.5H2O - HoF3:.5H2O = + 0.5000 H2O + 1.0000 Ho+++ + 3.0000 F- - log_k -16.4000 - -delta_H 0 # Not possible to calculate enthalpy of reaction HoF3:.5H2O + HoF3:.5H2O = 0.5 H2O + Ho+3 + 3 F- + log_k -16.4 + -delta_H 0 # Not possible to calculate enthalpy of reaction HoF3:.5H2O # Enthalpy of formation: 0 kcal/mol HoPO4:10H2O - HoPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 Ho+++ + 10.0000 H2O - log_k -11.8782 - -delta_H 0 # Not possible to calculate enthalpy of reaction HoPO4:10H2O + HoPO4:10H2O + H+ = HPO4-2 + Ho+3 + 10 H2O + log_k -11.8782 + -delta_H 0 # Not possible to calculate enthalpy of reaction HoPO4:10H2O # Enthalpy of formation: 0 kcal/mol Hopeite - Zn3(PO4)2:4H2O +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Zn++ + 4.0000 H2O - log_k -10.6563 - -delta_H 0 # Not possible to calculate enthalpy of reaction Hopeite + Zn3(PO4)2:4H2O + 2 H+ = 2 HPO4-2 + 3 Zn+2 + 4 H2O + log_k -10.6563 + -delta_H 0 # Not possible to calculate enthalpy of reaction Hopeite # Enthalpy of formation: 0 kcal/mol Huntite - CaMg3(CO3)4 +4.0000 H+ = + 1.0000 Ca++ + 3.0000 Mg++ + 4.0000 HCO3- - log_k 10.3010 - -delta_H -171.096 kJ/mol # Calculated enthalpy of reaction Huntite + CaMg3(CO3)4 + 4 H+ = Ca+2 + 3 Mg+2 + 4 HCO3- + log_k 10.301 + -delta_H -171.096 kJ/mol # Calculated enthalpy of reaction Huntite # Enthalpy of formation: -1082.6 kcal/mol - -analytic -6.5000e+002 -1.9671e-001 2.4815e+004 2.5688e+002 3.8740e+002 + -analytic -6.5e+2 -1.9671e-1 2.4815e+4 2.5688e+2 3.874e+2 # -Range: 0-300 Hydroboracite - MgCaB6O11:6H2O +4.0000 H+ +1.0000 H2O = + 1.0000 Ca++ + 1.0000 Mg++ + 6.0000 B(OH)3 - log_k 20.3631 - -delta_H 0 # Not possible to calculate enthalpy of reaction Hydroboracite + MgCaB6O11:6H2O + 4 H+ + H2O = Ca+2 + Mg+2 + 6 B(OH)3 + log_k 20.3631 + -delta_H 0 # Not possible to calculate enthalpy of reaction Hydroboracite # Enthalpy of formation: 0 kcal/mol Hydrocerussite - Pb3(CO3)2(OH)2 +4.0000 H+ = + 2.0000 H2O + 2.0000 HCO3- + 3.0000 Pb++ - log_k 1.8477 - -delta_H 0 # Not possible to calculate enthalpy of reaction Hydrocerussite + Pb3(CO3)2(OH)2 + 4 H+ = 2 H2O + 2 HCO3- + 3 Pb+2 + log_k 1.8477 + -delta_H 0 # Not possible to calculate enthalpy of reaction Hydrocerussite # Enthalpy of formation: 0 kcal/mol Hydromagnesite - Mg5(CO3)4(OH)2:4H2O +6.0000 H+ = + 4.0000 HCO3- + 5.0000 Mg++ + 6.0000 H2O - log_k 30.8539 - -delta_H -289.696 kJ/mol # Calculated enthalpy of reaction Hydromagnesite + Mg5(CO3)4(OH)2:4H2O + 6 H+ = 4 HCO3- + 5 Mg+2 + 6 H2O + log_k 30.8539 + -delta_H -289.696 kJ/mol # Calculated enthalpy of reaction Hydromagnesite # Enthalpy of formation: -1557.09 kcal/mol - -analytic -7.9288e+002 -2.1448e-001 3.6749e+004 3.0888e+002 5.7367e+002 + -analytic -7.9288e+2 -2.1448e-1 3.6749e+4 3.0888e+2 5.7367e+2 # -Range: 0-300 Hydrophilite - CaCl2 = + 1.0000 Ca++ + 2.0000 Cl- - log_k 11.7916 - -delta_H -81.4545 kJ/mol # Calculated enthalpy of reaction Hydrophilite + CaCl2 = Ca+2 + 2 Cl- + log_k 11.7916 + -delta_H -81.4545 kJ/mol # Calculated enthalpy of reaction Hydrophilite # Enthalpy of formation: -795.788 kJ/mol - -analytic -2.2278e+002 -8.1414e-002 9.0298e+003 9.2349e+001 1.4097e+002 + -analytic -2.2278e+2 -8.1414e-2 9.0298e+3 9.2349e+1 1.4097e+2 # -Range: 0-300 Hydroxylapatite - Ca5(OH)(PO4)3 +4.0000 H+ = + 1.0000 H2O + 3.0000 HPO4-- + 5.0000 Ca++ - log_k -3.0746 - -delta_H -191.982 kJ/mol # Calculated enthalpy of reaction Hydroxylapatite + Ca5(OH)(PO4)3 + 4 H+ = H2O + 3 HPO4-2 + 5 Ca+2 + log_k -3.0746 + -delta_H -191.982 kJ/mol # Calculated enthalpy of reaction Hydroxylapatite # Enthalpy of formation: -6685.52 kJ/mol - -analytic -8.5221e+002 -2.9430e-001 2.8125e+004 3.4044e+002 4.3911e+002 + -analytic -8.5221e+2 -2.943e-1 2.8125e+4 3.4044e+2 4.3911e+2 # -Range: 0-300 Hydrozincite - Zn5(OH)6(CO3)2 +8.0000 H+ = + 2.0000 HCO3- + 5.0000 Zn++ + 6.0000 H2O - log_k 30.3076 - -delta_H 0 # Not possible to calculate enthalpy of reaction Hydrozincite + Zn5(OH)6(CO3)2 + 8 H+ = 2 HCO3- + 5 Zn+2 + 6 H2O + log_k 30.3076 + -delta_H 0 # Not possible to calculate enthalpy of reaction Hydrozincite # Enthalpy of formation: 0 kcal/mol I2 - I2 +1.0000 H2O = + 0.5000 O2 + 2.0000 H+ + 2.0000 I- - log_k -24.8084 - -delta_H 165.967 kJ/mol # Calculated enthalpy of reaction I2 + I2 + H2O = 0.5 O2 + 2 H+ + 2 I- + log_k -24.8084 + -delta_H 165.967 kJ/mol # Calculated enthalpy of reaction I2 # Enthalpy of formation: 0 kJ/mol - -analytic -1.7135e+002 -6.2810e-002 -4.7225e+003 7.3181e+001 -7.3640e+001 + -analytic -1.7135e+2 -6.281e-2 -4.7225e+3 7.3181e+1 -7.364e+1 # -Range: 0-300 Ice - H2O = + 1.0000 H2O - log_k 0.1387 - -delta_H 6.74879 kJ/mol # Calculated enthalpy of reaction Ice + H2O = H2O + log_k 0.1387 + -delta_H 6.74879 kJ/mol # Calculated enthalpy of reaction Ice # Enthalpy of formation: -69.93 kcal/mol - -analytic -2.3260e+001 4.7948e-004 7.7351e+002 8.3499e+000 1.3143e+001 + -analytic -2.326e+1 4.7948e-4 7.7351e+2 8.3499e+0 1.3143e+1 # -Range: 0-200 Illite - K0.6Mg0.25Al1.8Al0.5Si3.5O10(OH)2 +8.0000 H+ = + 0.2500 Mg++ + 0.6000 K+ + 2.3000 Al+++ + 3.5000 SiO2 + 5.0000 H2O - log_k 9.0260 - -delta_H -171.764 kJ/mol # Calculated enthalpy of reaction Illite + K0.6Mg0.25Al1.8Al0.5Si3.5O10(OH)2 + 8 H+ = 0.25 Mg+2 + 0.6 K+ + 2.3 Al+3 + 3.5 SiO2 + 5 H2O + log_k 9.026 + -delta_H -171.764 kJ/mol # Calculated enthalpy of reaction Illite # Enthalpy of formation: -1394.71 kcal/mol - -analytic 2.6069e+001 -1.2553e-003 1.3670e+004 -2.0232e+001 -1.1204e+006 + -analytic 2.6069e+1 -1.2553e-3 1.367e+4 -2.0232e+1 -1.1204e+6 # -Range: 0-300 Ilmenite - FeTiO3 +2.0000 H+ +1.0000 H2O = + 1.0000 Fe++ + 1.0000 Ti(OH)4 - log_k 0.9046 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ilmenite + FeTiO3 + 2 H+ + H2O = Fe+2 + Ti(OH)4 + log_k 0.9046 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ilmenite # Enthalpy of formation: -1236.65 kJ/mol In - In +3.0000 H+ +0.7500 O2 = + 1.0000 In+++ + 1.5000 H2O - log_k 81.6548 - -delta_H -524.257 kJ/mol # Calculated enthalpy of reaction In + In + 3 H+ + 0.75 O2 = In+3 + 1.5 H2O + log_k 81.6548 + -delta_H -524.257 kJ/mol # Calculated enthalpy of reaction In # Enthalpy of formation: 0 kJ/mol - -analytic -1.1773e+002 -3.7657e-002 3.1802e+004 4.2438e+001 -9.6348e+004 + -analytic -1.1773e+2 -3.7657e-2 3.1802e+4 4.2438e+1 -9.6348e+4 # -Range: 0-300 Jadeite - NaAl(SiO3)2 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 Na+ + 2.0000 H2O + 2.0000 SiO2 - log_k 8.3888 - -delta_H -84.4415 kJ/mol # Calculated enthalpy of reaction Jadeite + NaAl(SiO3)2 + 4 H+ = Al+3 + Na+ + 2 H2O + 2 SiO2 + log_k 8.3888 + -delta_H -84.4415 kJ/mol # Calculated enthalpy of reaction Jadeite # Enthalpy of formation: -722.116 kcal/mol - -analytic 1.5934e+000 5.0757e-003 9.5602e+003 -7.0164e+000 -8.4454e+005 + -analytic 1.5934e+0 5.0757e-3 9.5602e+3 -7.0164e+0 -8.4454e+5 # -Range: 0-300 Jarosite - KFe3(SO4)2(OH)6 +6.0000 H+ = + 1.0000 K+ + 2.0000 SO4-- + 3.0000 Fe+++ + 6.0000 H2O - log_k -9.3706 - -delta_H -191.343 kJ/mol # Calculated enthalpy of reaction Jarosite + KFe3(SO4)2(OH)6 + 6 H+ = K+ + 2 SO4-2 + 3 Fe+3 + 6 H2O + log_k -9.3706 + -delta_H -191.343 kJ/mol # Calculated enthalpy of reaction Jarosite # Enthalpy of formation: -894.79 kcal/mol - -analytic -1.0813e+002 -5.0381e-002 9.6893e+003 3.2832e+001 1.6457e+002 + -analytic -1.0813e+2 -5.0381e-2 9.6893e+3 3.2832e+1 1.6457e+2 # -Range: 0-200 Jarosite-Na - NaFe3(SO4)2(OH)6 +6.0000 H+ = + 1.0000 Na+ + 2.0000 SO4-- + 3.0000 Fe+++ + 6.0000 H2O - log_k -5.4482 - -delta_H 0 # Not possible to calculate enthalpy of reaction Jarosite-Na + NaFe3(SO4)2(OH)6 + 6 H+ = Na+ + 2 SO4-2 + 3 Fe+3 + 6 H2O + log_k -5.4482 + -delta_H 0 # Not possible to calculate enthalpy of reaction Jarosite-Na # Enthalpy of formation: 0 kcal/mol K - K +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 K+ - log_k 70.9861 - -delta_H -392.055 kJ/mol # Calculated enthalpy of reaction K + K + H+ + 0.25 O2 = 0.5 H2O + K+ + log_k 70.9861 + -delta_H -392.055 kJ/mol # Calculated enthalpy of reaction K # Enthalpy of formation: 0 kJ/mol - -analytic -3.1102e+001 -1.0003e-002 2.1338e+004 1.3534e+001 3.3296e+002 + -analytic -3.1102e+1 -1.0003e-2 2.1338e+4 1.3534e+1 3.3296e+2 # -Range: 0-300 K-Feldspar - KAlSi3O8 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 K+ + 2.0000 H2O + 3.0000 SiO2 - log_k -0.2753 - -delta_H -23.9408 kJ/mol # Calculated enthalpy of reaction K-Feldspar + KAlSi3O8 + 4 H+ = Al+3 + K+ + 2 H2O + 3 SiO2 + log_k -0.2753 + -delta_H -23.9408 kJ/mol # Calculated enthalpy of reaction K-Feldspar # Enthalpy of formation: -949.188 kcal/mol - -analytic -1.0684e+000 1.3111e-002 1.1671e+004 -9.9129e+000 -1.5855e+006 + -analytic -1.0684e+0 1.3111e-2 1.1671e+4 -9.9129e+0 -1.5855e+6 # -Range: 0-300 K2CO3:1.5H2O - K2CO3:1.5H2O +1.0000 H+ = + 1.0000 HCO3- + 1.5000 H2O + 2.0000 K+ - log_k 13.3785 - -delta_H 0 # Not possible to calculate enthalpy of reaction K2CO3:1.5H2O + K2CO3:1.5H2O + H+ = HCO3- + 1.5 H2O + 2 K+ + log_k 13.3785 + -delta_H 0 # Not possible to calculate enthalpy of reaction K2CO3:1.5H2O # Enthalpy of formation: 0 kcal/mol K2O - K2O +2.0000 H+ = + 1.0000 H2O + 2.0000 K+ - log_k 84.0405 - -delta_H -427.006 kJ/mol # Calculated enthalpy of reaction K2O + K2O + 2 H+ = H2O + 2 K+ + log_k 84.0405 + -delta_H -427.006 kJ/mol # Calculated enthalpy of reaction K2O # Enthalpy of formation: -86.8 kcal/mol - -analytic -1.8283e+001 -5.2255e-003 2.3184e+004 1.0553e+001 3.6177e+002 + -analytic -1.8283e+1 -5.2255e-3 2.3184e+4 1.0553e+1 3.6177e+2 # -Range: 0-300 K2Se - K2Se = + 1.0000 Se-- + 2.0000 K+ - log_k 11.2925 - -delta_H 0 # Not possible to calculate enthalpy of reaction K2Se + K2Se = Se-2 + 2 K+ + log_k 11.2925 + -delta_H 0 # Not possible to calculate enthalpy of reaction K2Se # Enthalpy of formation: -92 kcal/mol - -analytic 1.8182e+001 7.8828e-003 2.6345e+003 -7.3075e+000 4.4732e+001 + -analytic 1.8182e+1 7.8828e-3 2.6345e+3 -7.3075e+0 4.4732e+1 # -Range: 0-200 K2UO4 - K2UO4 +4.0000 H+ = + 1.0000 UO2++ + 2.0000 H2O + 2.0000 K+ - log_k 33.8714 - -delta_H -174.316 kJ/mol # Calculated enthalpy of reaction K2UO4 + K2UO4 + 4 H+ = UO2+2 + 2 H2O + 2 K+ + log_k 33.8714 + -delta_H -174.316 kJ/mol # Calculated enthalpy of reaction K2UO4 # Enthalpy of formation: -1920.7 kJ/mol - -analytic -7.0905e+001 -2.5680e-003 1.2244e+004 2.6056e+001 2.0794e+002 + -analytic -7.0905e+1 -2.568e-3 1.2244e+4 2.6056e+1 2.0794e+2 # -Range: 0-200 K3H(SO4)2 - K3H(SO4)2 = + 1.0000 H+ + 2.0000 SO4-- + 3.0000 K+ - log_k -3.6233 - -delta_H 0 # Not possible to calculate enthalpy of reaction K3H(SO4)2 + K3H(SO4)2 = H+ + 2 SO4-2 + 3 K+ + log_k -3.6233 + -delta_H 0 # Not possible to calculate enthalpy of reaction K3H(SO4)2 # Enthalpy of formation: 0 kcal/mol K8H4(CO3)6:3H2O - K8H4(CO3)6:3H2O +2.0000 H+ = + 3.0000 H2O + 6.0000 HCO3- + 8.0000 K+ - log_k 27.7099 - -delta_H 0 # Not possible to calculate enthalpy of reaction K8H4(CO3)6:3H2O + K8H4(CO3)6:3H2O + 2 H+ = 3 H2O + 6 HCO3- + 8 K+ + log_k 27.7099 + -delta_H 0 # Not possible to calculate enthalpy of reaction K8H4(CO3)6:3H2O # Enthalpy of formation: 0 kcal/mol KAl(SO4)2 - KAl(SO4)2 = + 1.0000 Al+++ + 1.0000 K+ + 2.0000 SO4-- - log_k 3.3647 - -delta_H -139.485 kJ/mol # Calculated enthalpy of reaction KAl(SO4)2 + KAl(SO4)2 = Al+3 + K+ + 2 SO4-2 + log_k 3.3647 + -delta_H -139.485 kJ/mol # Calculated enthalpy of reaction KAl(SO4)2 # Enthalpy of formation: -2470.29 kJ/mol - -analytic -4.2785e+002 -1.6303e-001 1.5311e+004 1.7312e+002 2.3904e+002 + -analytic -4.2785e+2 -1.6303e-1 1.5311e+4 1.7312e+2 2.3904e+2 # -Range: 0-300 KBr - KBr = + 1.0000 Br- + 1.0000 K+ - log_k 1.0691 - -delta_H 20.125 kJ/mol # Calculated enthalpy of reaction KBr + KBr = Br- + K+ + log_k 1.0691 + -delta_H 20.125 kJ/mol # Calculated enthalpy of reaction KBr # Enthalpy of formation: -393.798 kJ/mol - -analytic -7.3164e+001 -3.1240e-002 4.8140e+002 3.3104e+001 7.5336e+000 + -analytic -7.3164e+1 -3.124e-2 4.814e+2 3.3104e+1 7.5336e+0 # -Range: 0-300 KMgCl3 - KMgCl3 = + 1.0000 K+ + 1.0000 Mg++ + 3.0000 Cl- - log_k 21.2618 - -delta_H -132.768 kJ/mol # Calculated enthalpy of reaction KMgCl3 + KMgCl3 = K+ + Mg+2 + 3 Cl- + log_k 21.2618 + -delta_H -132.768 kJ/mol # Calculated enthalpy of reaction KMgCl3 # Enthalpy of formation: -1086.6 kJ/mol - -analytic -8.4641e+000 -3.2688e-002 5.1496e+003 8.9652e+000 8.7450e+001 + -analytic -8.4641e+0 -3.2688e-2 5.1496e+3 8.9652e+0 8.745e+1 # -Range: 0-200 KMgCl3:2H2O - KMgCl3:2H2O = + 1.0000 K+ + 1.0000 Mg++ + 2.0000 H2O + 3.0000 Cl- - log_k 13.9755 - -delta_H -76.8449 kJ/mol # Calculated enthalpy of reaction KMgCl3:2H2O + KMgCl3:2H2O = K+ + Mg+2 + 2 H2O + 3 Cl- + log_k 13.9755 + -delta_H -76.8449 kJ/mol # Calculated enthalpy of reaction KMgCl3:2H2O # Enthalpy of formation: -1714.2 kJ/mol - -analytic -5.9982e+001 -3.3015e-002 4.6174e+003 2.7602e+001 7.8431e+001 + -analytic -5.9982e+1 -3.3015e-2 4.6174e+3 2.7602e+1 7.8431e+1 # -Range: 0-200 KNaCO3:6H2O - KNaCO3:6H2O +1.0000 H+ = + 1.0000 HCO3- + 1.0000 K+ + 1.0000 Na+ + 6.0000 H2O - log_k 10.2593 - -delta_H 0 # Not possible to calculate enthalpy of reaction KNaCO3:6H2O + KNaCO3:6H2O + H+ = HCO3- + K+ + Na+ + 6 H2O + log_k 10.2593 + -delta_H 0 # Not possible to calculate enthalpy of reaction KNaCO3:6H2O # Enthalpy of formation: 0 kcal/mol KTcO4 - KTcO4 = + 1.0000 K+ + 1.0000 TcO4- - log_k -2.2667 - -delta_H 53.2363 kJ/mol # Calculated enthalpy of reaction KTcO4 + KTcO4 = K+ + TcO4- + log_k -2.2667 + -delta_H 53.2363 kJ/mol # Calculated enthalpy of reaction KTcO4 # Enthalpy of formation: -1021.67 kJ/mol - -analytic 1.8058e+001 -8.4795e-004 -2.3985e+003 -4.1788e+000 -1.5029e+005 + -analytic 1.8058e+1 -8.4795e-4 -2.3985e+3 -4.1788e+0 -1.5029e+5 # -Range: 0-300 KUO2AsO4 - KUO2AsO4 +2.0000 H+ = + 1.0000 H2AsO4- + 1.0000 K+ + 1.0000 UO2++ - log_k -4.1741 - -delta_H 0 # Not possible to calculate enthalpy of reaction KUO2AsO4 + KUO2AsO4 + 2 H+ = H2AsO4- + K+ + UO2+2 + log_k -4.1741 + -delta_H 0 # Not possible to calculate enthalpy of reaction KUO2AsO4 # Enthalpy of formation: 0 kcal/mol Kainite - KMgClSO4:3H2O = + 1.0000 Cl- + 1.0000 K+ + 1.0000 Mg++ + 1.0000 SO4-- + 3.0000 H2O - log_k -0.3114 - -delta_H 0 # Not possible to calculate enthalpy of reaction Kainite + KMgClSO4:3H2O = Cl- + K+ + Mg+2 + SO4-2 + 3 H2O + log_k -0.3114 + -delta_H 0 # Not possible to calculate enthalpy of reaction Kainite # Enthalpy of formation: 0 kcal/mol Kalicinite - KHCO3 = + 1.0000 HCO3- + 1.0000 K+ - log_k 0.2837 - -delta_H 0 # Not possible to calculate enthalpy of reaction Kalicinite + KHCO3 = HCO3- + K+ + log_k 0.2837 + -delta_H 0 # Not possible to calculate enthalpy of reaction Kalicinite # Enthalpy of formation: 0 kcal/mol Kalsilite - KAlSiO4 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 K+ + 1.0000 SiO2 + 2.0000 H2O - log_k 10.8987 - -delta_H -108.583 kJ/mol # Calculated enthalpy of reaction Kalsilite + KAlSiO4 + 4 H+ = Al+3 + K+ + SiO2 + 2 H2O + log_k 10.8987 + -delta_H -108.583 kJ/mol # Calculated enthalpy of reaction Kalsilite # Enthalpy of formation: -509.408 kcal/mol - -analytic -6.7595e+000 -7.4301e-003 6.5380e+003 1.8999e-001 -2.2880e+005 + -analytic -6.7595e+0 -7.4301e-3 6.538e+3 1.8999e-1 -2.288e+5 # -Range: 0-300 Kaolinite - Al2Si2O5(OH)4 +6.0000 H+ = + 2.0000 Al+++ + 2.0000 SiO2 + 5.0000 H2O - log_k 6.8101 - -delta_H -151.779 kJ/mol # Calculated enthalpy of reaction Kaolinite + Al2Si2O5(OH)4 + 6 H+ = 2 Al+3 + 2 SiO2 + 5 H2O + log_k 6.8101 + -delta_H -151.779 kJ/mol # Calculated enthalpy of reaction Kaolinite # Enthalpy of formation: -982.221 kcal/mol - -analytic 1.6835e+001 -7.8939e-003 7.7636e+003 -1.2190e+001 -3.2354e+005 + -analytic 1.6835e+1 -7.8939e-3 7.7636e+3 -1.219e+1 -3.2354e+5 # -Range: 0-300 Karelianite - V2O3 +6.0000 H+ = + 2.0000 V+++ + 3.0000 H2O - log_k 9.9424 - -delta_H -160.615 kJ/mol # Calculated enthalpy of reaction Karelianite + V2O3 + 6 H+ = 2 V+3 + 3 H2O + log_k 9.9424 + -delta_H -160.615 kJ/mol # Calculated enthalpy of reaction Karelianite # Enthalpy of formation: -1218.98 kJ/mol - -analytic -2.7961e+001 -7.1499e-003 6.7749e+003 5.8146e+000 2.6039e+005 + -analytic -2.7961e+1 -7.1499e-3 6.7749e+3 5.8146e+0 2.6039e+5 # -Range: 0-300 Kasolite - Pb(UO2)SiO4:H2O +4.0000 H+ = + 1.0000 Pb++ + 1.0000 SiO2 + 1.0000 UO2++ + 3.0000 H2O - log_k 7.2524 - -delta_H 0 # Not possible to calculate enthalpy of reaction Kasolite + Pb(UO2)SiO4:H2O + 4 H+ = Pb+2 + SiO2 + UO2+2 + 3 H2O + log_k 7.2524 + -delta_H 0 # Not possible to calculate enthalpy of reaction Kasolite # Enthalpy of formation: 0 kcal/mol Katoite - Ca3Al2H12O12 +12.0000 H+ = + 2.0000 Al+++ + 3.0000 Ca++ + 12.0000 H2O - log_k 78.9437 - -delta_H 0 # Not possible to calculate enthalpy of reaction Katoite + Ca3Al2H12O12 + 12 H+ = 2 Al+3 + 3 Ca+2 + 12 H2O + log_k 78.9437 + -delta_H 0 # Not possible to calculate enthalpy of reaction Katoite # Enthalpy of formation: 0 kcal/mol Kieserite - MgSO4:H2O = + 1.0000 H2O + 1.0000 Mg++ + 1.0000 SO4-- - log_k -0.2670 - -delta_H 0 # Not possible to calculate enthalpy of reaction Kieserite + MgSO4:H2O = H2O + Mg+2 + SO4-2 + log_k -0.267 + -delta_H 0 # Not possible to calculate enthalpy of reaction Kieserite # Enthalpy of formation: 0 kcal/mol Klockmannite - CuSe = + 1.0000 Cu++ + 1.0000 Se-- - log_k -41.6172 - -delta_H 0 # Not possible to calculate enthalpy of reaction Klockmannite + CuSe = Cu+2 + Se-2 + log_k -41.6172 + -delta_H 0 # Not possible to calculate enthalpy of reaction Klockmannite # Enthalpy of formation: -10 kcal/mol - -analytic -2.3021e+001 -2.1458e-003 -8.5938e+003 4.3900e+000 -1.4593e+002 + -analytic -2.3021e+1 -2.1458e-3 -8.5938e+3 4.39e+0 -1.4593e+2 # -Range: 0-200 Krutaite - CuSe2 +1.0000 H2O = + 0.5000 O2 + 1.0000 Cu++ + 2.0000 H+ + 2.0000 Se-- - log_k -107.6901 - -delta_H 0 # Not possible to calculate enthalpy of reaction Krutaite + CuSe2 + H2O = 0.5 O2 + Cu+2 + 2 H+ + 2 Se-2 + log_k -107.6901 + -delta_H 0 # Not possible to calculate enthalpy of reaction Krutaite # Enthalpy of formation: -11.5 kcal/mol - -analytic -3.7735e+001 -8.7548e-004 -2.6352e+004 7.5528e+000 -4.4749e+002 + -analytic -3.7735e+1 -8.7548e-4 -2.6352e+4 7.5528e+0 -4.4749e+2 # -Range: 0-200 Kyanite - Al2SiO5 +6.0000 H+ = + 1.0000 SiO2 + 2.0000 Al+++ + 3.0000 H2O - log_k 15.6740 - -delta_H -230.919 kJ/mol # Calculated enthalpy of reaction Kyanite + Al2SiO5 + 6 H+ = SiO2 + 2 Al+3 + 3 H2O + log_k 15.674 + -delta_H -230.919 kJ/mol # Calculated enthalpy of reaction Kyanite # Enthalpy of formation: -616.897 kcal/mol - -analytic -7.3335e+001 -3.2853e-002 1.2166e+004 2.3412e+001 1.8986e+002 + -analytic -7.3335e+1 -3.2853e-2 1.2166e+4 2.3412e+1 1.8986e+2 # -Range: 0-300 La - La +3.0000 H+ +0.7500 O2 = + 1.0000 La+++ + 1.5000 H2O - log_k 184.7155 - -delta_H -1129.26 kJ/mol # Calculated enthalpy of reaction La + La + 3 H+ + 0.75 O2 = La+3 + 1.5 H2O + log_k 184.7155 + -delta_H -1129.26 kJ/mol # Calculated enthalpy of reaction La # Enthalpy of formation: 0 kJ/mol - -analytic -5.9508e+001 -2.7578e-002 5.9327e+004 2.1589e+001 9.2577e+002 + -analytic -5.9508e+1 -2.7578e-2 5.9327e+4 2.1589e+1 9.2577e+2 # -Range: 0-300 La(OH)3 - La(OH)3 +3.0000 H+ = + 1.0000 La+++ + 3.0000 H2O - log_k 20.2852 - -delta_H 0 # Not possible to calculate enthalpy of reaction La(OH)3 + La(OH)3 + 3 H+ = La+3 + 3 H2O + log_k 20.2852 + -delta_H 0 # Not possible to calculate enthalpy of reaction La(OH)3 # Enthalpy of formation: 0 kcal/mol La(OH)3(am) - La(OH)3 +3.0000 H+ = + 1.0000 La+++ + 3.0000 H2O - log_k 23.4852 - -delta_H 0 # Not possible to calculate enthalpy of reaction La(OH)3(am) + La(OH)3 + 3 H+ = La+3 + 3 H2O + log_k 23.4852 + -delta_H 0 # Not possible to calculate enthalpy of reaction La(OH)3(am) # Enthalpy of formation: 0 kcal/mol La2(CO3)3:8H2O - La2(CO3)3:8H2O +3.0000 H+ = + 2.0000 La+++ + 3.0000 HCO3- + 8.0000 H2O - log_k -4.3136 - -delta_H 0 # Not possible to calculate enthalpy of reaction La2(CO3)3:8H2O + La2(CO3)3:8H2O + 3 H+ = 2 La+3 + 3 HCO3- + 8 H2O + log_k -4.3136 + -delta_H 0 # Not possible to calculate enthalpy of reaction La2(CO3)3:8H2O # Enthalpy of formation: 0 kcal/mol La2O3 - La2O3 +6.0000 H+ = + 2.0000 La+++ + 3.0000 H2O - log_k 66.2000 - -delta_H 0 # Not possible to calculate enthalpy of reaction La2O3 + La2O3 + 6 H+ = 2 La+3 + 3 H2O + log_k 66.2 + -delta_H 0 # Not possible to calculate enthalpy of reaction La2O3 # Enthalpy of formation: 0 kcal/mol LaCl3 - LaCl3 = + 1.0000 La+++ + 3.0000 Cl- - log_k 14.4000 - -delta_H 0 # Not possible to calculate enthalpy of reaction LaCl3 + LaCl3 = La+3 + 3 Cl- + log_k 14.4 + -delta_H 0 # Not possible to calculate enthalpy of reaction LaCl3 # Enthalpy of formation: 0 kcal/mol LaCl3:7H2O - LaCl3:7H2O = + 1.0000 La+++ + 3.0000 Cl- + 7.0000 H2O - log_k 4.7000 - -delta_H 0 # Not possible to calculate enthalpy of reaction LaCl3:7H2O + LaCl3:7H2O = La+3 + 3 Cl- + 7 H2O + log_k 4.7 + -delta_H 0 # Not possible to calculate enthalpy of reaction LaCl3:7H2O # Enthalpy of formation: 0 kcal/mol LaF3:.5H2O - LaF3:.5H2O = + 0.5000 H2O + 1.0000 La+++ + 3.0000 F- - log_k -18.7000 - -delta_H 0 # Not possible to calculate enthalpy of reaction LaF3:.5H2O + LaF3:.5H2O = 0.5 H2O + La+3 + 3 F- + log_k -18.7 + -delta_H 0 # Not possible to calculate enthalpy of reaction LaF3:.5H2O # Enthalpy of formation: 0 kcal/mol LaPO4:10H2O - LaPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 La+++ + 10.0000 H2O - log_k -12.3782 - -delta_H 0 # Not possible to calculate enthalpy of reaction LaPO4:10H2O + LaPO4:10H2O + H+ = HPO4-2 + La+3 + 10 H2O + log_k -12.3782 + -delta_H 0 # Not possible to calculate enthalpy of reaction LaPO4:10H2O # Enthalpy of formation: 0 kcal/mol Lammerite - Cu3(AsO4)2 +4.0000 H+ = + 2.0000 H2AsO4- + 3.0000 Cu++ - log_k 1.5542 - -delta_H 0 # Not possible to calculate enthalpy of reaction Lammerite + Cu3(AsO4)2 + 4 H+ = 2 H2AsO4- + 3 Cu+2 + log_k 1.5542 + -delta_H 0 # Not possible to calculate enthalpy of reaction Lammerite # Enthalpy of formation: 0 kcal/mol Lanarkite - Pb2(SO4)O +2.0000 H+ = + 1.0000 H2O + 1.0000 SO4-- + 2.0000 Pb++ - log_k -0.4692 - -delta_H -22.014 kJ/mol # Calculated enthalpy of reaction Lanarkite + Pb2(SO4)O + 2 H+ = H2O + SO4-2 + 2 Pb+2 + log_k -0.4692 + -delta_H -22.014 kJ/mol # Calculated enthalpy of reaction Lanarkite # Enthalpy of formation: -1171.59 kJ/mol - -analytic 5.1071e+000 -1.6655e-002 0.0000e+000 0.0000e+000 -5.5660e+004 + -analytic 5.1071e+0 -1.6655e-2 0e+0 0e+0 -5.566e+4 # -Range: 0-200 Lansfordite - MgCO3:5H2O +1.0000 H+ = + 1.0000 HCO3- + 1.0000 Mg++ + 5.0000 H2O - log_k 4.8409 - -delta_H 0 # Not possible to calculate enthalpy of reaction Lansfordite + MgCO3:5H2O + H+ = HCO3- + Mg+2 + 5 H2O + log_k 4.8409 + -delta_H 0 # Not possible to calculate enthalpy of reaction Lansfordite # Enthalpy of formation: 0 kcal/mol Larnite - Ca2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 Ca++ + 2.0000 H2O - log_k 38.4665 - -delta_H -227.061 kJ/mol # Calculated enthalpy of reaction Larnite + Ca2SiO4 + 4 H+ = SiO2 + 2 Ca+2 + 2 H2O + log_k 38.4665 + -delta_H -227.061 kJ/mol # Calculated enthalpy of reaction Larnite # Enthalpy of formation: -551.74 kcal/mol - -analytic 2.6900e+001 -2.1833e-003 1.0900e+004 -9.5257e+000 -7.2537e+004 + -analytic 2.69e+1 -2.1833e-3 1.09e+4 -9.5257e+0 -7.2537e+4 # -Range: 0-300 Laumontite - CaAl2Si4O12:4H2O +8.0000 H+ = + 1.0000 Ca++ + 2.0000 Al+++ + 4.0000 SiO2 + 8.0000 H2O - log_k 13.6667 - -delta_H -184.657 kJ/mol # Calculated enthalpy of reaction Laumontite + CaAl2Si4O12:4H2O + 8 H+ = Ca+2 + 2 Al+3 + 4 SiO2 + 8 H2O + log_k 13.6667 + -delta_H -184.657 kJ/mol # Calculated enthalpy of reaction Laumontite # Enthalpy of formation: -1728.66 kcal/mol - -analytic 1.1904e+000 8.1763e-003 1.9005e+004 -1.4561e+001 -1.5851e+006 + -analytic 1.1904e+0 8.1763e-3 1.9005e+4 -1.4561e+1 -1.5851e+6 # -Range: 0-300 Laurite - RuS2 = + 1.0000 Ru++ + 1.0000 S2-- - log_k -73.2649 - -delta_H 0 # Not possible to calculate enthalpy of reaction Laurite + RuS2 = Ru+2 + S2-2 + log_k -73.2649 + -delta_H 0 # Not possible to calculate enthalpy of reaction Laurite # Enthalpy of formation: -199.586 kJ/mol Lawrencite - FeCl2 = + 1.0000 Fe++ + 2.0000 Cl- - log_k 9.0945 - -delta_H -84.7665 kJ/mol # Calculated enthalpy of reaction Lawrencite + FeCl2 = Fe+2 + 2 Cl- + log_k 9.0945 + -delta_H -84.7665 kJ/mol # Calculated enthalpy of reaction Lawrencite # Enthalpy of formation: -341.65 kJ/mol - -analytic -2.2798e+002 -8.1819e-002 9.2620e+003 9.3097e+001 1.4459e+002 + -analytic -2.2798e+2 -8.1819e-2 9.262e+3 9.3097e+1 1.4459e+2 # -Range: 0-300 Lawsonite - CaAl2Si2O7(OH)2:H2O +8.0000 H+ = + 1.0000 Ca++ + 2.0000 Al+++ + 2.0000 SiO2 + 6.0000 H2O - log_k 22.2132 - -delta_H -244.806 kJ/mol # Calculated enthalpy of reaction Lawsonite + CaAl2Si2O7(OH)2:H2O + 8 H+ = Ca+2 + 2 Al+3 + 2 SiO2 + 6 H2O + log_k 22.2132 + -delta_H -244.806 kJ/mol # Calculated enthalpy of reaction Lawsonite # Enthalpy of formation: -1158.1 kcal/mol - -analytic 1.3995e+001 -1.7668e-002 1.0119e+004 -8.3100e+000 1.5789e+002 + -analytic 1.3995e+1 -1.7668e-2 1.0119e+4 -8.31e+0 1.5789e+2 # -Range: 0-300 Leonite - K2Mg(SO4)2:4H2O = + 1.0000 Mg++ + 2.0000 K+ + 2.0000 SO4-- + 4.0000 H2O - log_k -4.1123 - -delta_H 0 # Not possible to calculate enthalpy of reaction Leonite + K2Mg(SO4)2:4H2O = Mg+2 + 2 K+ + 2 SO4-2 + 4 H2O + log_k -4.1123 + -delta_H 0 # Not possible to calculate enthalpy of reaction Leonite # Enthalpy of formation: 0 kcal/mol Li - Li +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Li+ - log_k 72.7622 - -delta_H -418.339 kJ/mol # Calculated enthalpy of reaction Li + Li + H+ + 0.25 O2 = 0.5 H2O + Li+ + log_k 72.7622 + -delta_H -418.339 kJ/mol # Calculated enthalpy of reaction Li # Enthalpy of formation: 0 kJ/mol - -analytic -1.0227e+002 -1.8118e-002 2.6262e+004 3.8056e+001 -1.6166e+005 + -analytic -1.0227e+2 -1.8118e-2 2.6262e+4 3.8056e+1 -1.6166e+5 # -Range: 0-300 Li2Se - Li2Se +1.5000 O2 = + 1.0000 SeO3-- + 2.0000 Li+ - log_k 102.8341 - -delta_H -646.236 kJ/mol # Calculated enthalpy of reaction Li2Se + Li2Se + 1.5 O2 = SeO3-2 + 2 Li+ + log_k 102.8341 + -delta_H -646.236 kJ/mol # Calculated enthalpy of reaction Li2Se # Enthalpy of formation: -96 kcal/mol - -analytic 1.1933e+002 -6.9663e-003 2.7509e+004 -4.3124e+001 4.6710e+002 + -analytic 1.1933e+2 -6.9663e-3 2.7509e+4 -4.3124e+1 4.671e+2 # -Range: 0-200 Li2UO4 - Li2UO4 +4.0000 H+ = + 1.0000 UO2++ + 2.0000 H2O + 2.0000 Li+ - log_k 27.8421 - -delta_H -179.384 kJ/mol # Calculated enthalpy of reaction Li2UO4 + Li2UO4 + 4 H+ = UO2+2 + 2 H2O + 2 Li+ + log_k 27.8421 + -delta_H -179.384 kJ/mol # Calculated enthalpy of reaction Li2UO4 # Enthalpy of formation: -1968.2 kJ/mol - -analytic -1.4470e+002 -1.2024e-002 1.4899e+004 5.0984e+001 2.5306e+002 + -analytic -1.447e+2 -1.2024e-2 1.4899e+4 5.0984e+1 2.5306e+2 # -Range: 0-200 LiUO2AsO4 - LiUO2AsO4 +2.0000 H+ = + 1.0000 H2AsO4- + 1.0000 Li+ + 1.0000 UO2++ - log_k -0.7862 - -delta_H 0 # Not possible to calculate enthalpy of reaction LiUO2AsO4 + LiUO2AsO4 + 2 H+ = H2AsO4- + Li+ + UO2+2 + log_k -0.7862 + -delta_H 0 # Not possible to calculate enthalpy of reaction LiUO2AsO4 # Enthalpy of formation: 0 kcal/mol Lime - CaO +2.0000 H+ = + 1.0000 Ca++ + 1.0000 H2O - log_k 32.5761 - -delta_H -193.832 kJ/mol # Calculated enthalpy of reaction Lime + CaO + 2 H+ = Ca+2 + H2O + log_k 32.5761 + -delta_H -193.832 kJ/mol # Calculated enthalpy of reaction Lime # Enthalpy of formation: -151.79 kcal/mol - -analytic -7.2686e+001 -1.7654e-002 1.2199e+004 2.8128e+001 1.9037e+002 + -analytic -7.2686e+1 -1.7654e-2 1.2199e+4 2.8128e+1 1.9037e+2 # -Range: 0-300 Linnaeite - Co3S4 +4.0000 H+ = + 1.0000 Co++ + 2.0000 Co+++ + 4.0000 HS- - log_k -106.9017 - -delta_H 420.534 kJ/mol # Calculated enthalpy of reaction Linnaeite + Co3S4 + 4 H+ = Co+2 + 2 Co+3 + 4 HS- + log_k -106.9017 + -delta_H 420.534 kJ/mol # Calculated enthalpy of reaction Linnaeite # Enthalpy of formation: -85.81 kcal/mol - -analytic -6.0034e+002 -2.0179e-001 -9.2145e+003 2.3618e+002 -1.4361e+002 + -analytic -6.0034e+2 -2.0179e-1 -9.2145e+3 2.3618e+2 -1.4361e+2 # -Range: 0-300 Litharge - PbO +2.0000 H+ = + 1.0000 H2O + 1.0000 Pb++ - log_k 12.6388 - -delta_H -65.9118 kJ/mol # Calculated enthalpy of reaction Litharge + PbO + 2 H+ = H2O + Pb+2 + log_k 12.6388 + -delta_H -65.9118 kJ/mol # Calculated enthalpy of reaction Litharge # Enthalpy of formation: -219.006 kJ/mol - -analytic -1.8683e+001 -2.0211e-003 4.1876e+003 7.2239e+000 7.1118e+001 + -analytic -1.8683e+1 -2.0211e-3 4.1876e+3 7.2239e+0 7.1118e+1 # -Range: 0-200 Lopezite - K2Cr2O7 +1.0000 H2O = + 2.0000 CrO4-- + 2.0000 H+ + 2.0000 K+ - log_k -17.4366 - -delta_H 81.9227 kJ/mol # Calculated enthalpy of reaction Lopezite + K2Cr2O7 + H2O = 2 CrO4-2 + 2 H+ + 2 K+ + log_k -17.4366 + -delta_H 81.9227 kJ/mol # Calculated enthalpy of reaction Lopezite # Enthalpy of formation: -493.003 kcal/mol - -analytic 7.8359e+001 -2.2908e-002 -9.3812e+003 -2.3245e+001 -1.5933e+002 + -analytic 7.8359e+1 -2.2908e-2 -9.3812e+3 -2.3245e+1 -1.5933e+2 # -Range: 0-200 Lu - Lu +3.0000 H+ +0.7500 O2 = + 1.0000 Lu+++ + 1.5000 H2O - log_k 181.3437 - -delta_H -1122.15 kJ/mol # Calculated enthalpy of reaction Lu + Lu + 3 H+ + 0.75 O2 = Lu+3 + 1.5 H2O + log_k 181.3437 + -delta_H -1122.15 kJ/mol # Calculated enthalpy of reaction Lu # Enthalpy of formation: 0 kJ/mol - -analytic -6.8950e+001 -2.8643e-002 5.9209e+004 2.4332e+001 9.2392e+002 + -analytic -6.895e+1 -2.8643e-2 5.9209e+4 2.4332e+1 9.2392e+2 # -Range: 0-300 Lu(OH)3 - Lu(OH)3 +3.0000 H+ = + 1.0000 Lu+++ + 3.0000 H2O - log_k 14.4852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Lu(OH)3 + Lu(OH)3 + 3 H+ = Lu+3 + 3 H2O + log_k 14.4852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Lu(OH)3 # Enthalpy of formation: 0 kcal/mol Lu(OH)3(am) - Lu(OH)3 +3.0000 H+ = + 1.0000 Lu+++ + 3.0000 H2O - log_k 18.9852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Lu(OH)3(am) + Lu(OH)3 + 3 H+ = Lu+3 + 3 H2O + log_k 18.9852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Lu(OH)3(am) # Enthalpy of formation: 0 kcal/mol Lu2(CO3)3 - Lu2(CO3)3 +3.0000 H+ = + 2.0000 Lu+++ + 3.0000 HCO3- - log_k -2.0136 - -delta_H 0 # Not possible to calculate enthalpy of reaction Lu2(CO3)3 + Lu2(CO3)3 + 3 H+ = 2 Lu+3 + 3 HCO3- + log_k -2.0136 + -delta_H 0 # Not possible to calculate enthalpy of reaction Lu2(CO3)3 # Enthalpy of formation: 0 kcal/mol Lu2O3 - Lu2O3 +6.0000 H+ = + 2.0000 Lu+++ + 3.0000 H2O - log_k 45.0000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Lu2O3 + Lu2O3 + 6 H+ = 2 Lu+3 + 3 H2O + log_k 45 + -delta_H 0 # Not possible to calculate enthalpy of reaction Lu2O3 # Enthalpy of formation: 0 kcal/mol LuF3:.5H2O - LuF3:.5H2O = + 0.5000 H2O + 1.0000 Lu+++ + 3.0000 F- - log_k -15.9000 - -delta_H 0 # Not possible to calculate enthalpy of reaction LuF3:.5H2O + LuF3:.5H2O = 0.5 H2O + Lu+3 + 3 F- + log_k -15.9 + -delta_H 0 # Not possible to calculate enthalpy of reaction LuF3:.5H2O # Enthalpy of formation: 0 kcal/mol LuPO4:10H2O - LuPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 Lu+++ + 10.0000 H2O - log_k -11.6782 - -delta_H 0 # Not possible to calculate enthalpy of reaction LuPO4:10H2O + LuPO4:10H2O + H+ = HPO4-2 + Lu+3 + 10 H2O + log_k -11.6782 + -delta_H 0 # Not possible to calculate enthalpy of reaction LuPO4:10H2O # Enthalpy of formation: 0 kcal/mol Magnesiochromite - MgCr2O4 +8.0000 H+ = + 1.0000 Mg++ + 2.0000 Cr+++ + 4.0000 H2O - log_k 21.6927 - -delta_H -302.689 kJ/mol # Calculated enthalpy of reaction Magnesiochromite + MgCr2O4 + 8 H+ = Mg+2 + 2 Cr+3 + 4 H2O + log_k 21.6927 + -delta_H -302.689 kJ/mol # Calculated enthalpy of reaction Magnesiochromite # Enthalpy of formation: -1783.6 kJ/mol - -analytic -1.7376e+002 -8.7429e-003 2.1600e+004 5.0762e+001 3.6685e+002 + -analytic -1.7376e+2 -8.7429e-3 2.16e+4 5.0762e+1 3.6685e+2 # -Range: 0-200 Magnesite - MgCO3 +1.0000 H+ = + 1.0000 HCO3- + 1.0000 Mg++ - log_k 2.2936 - -delta_H -44.4968 kJ/mol # Calculated enthalpy of reaction Magnesite + MgCO3 + H+ = HCO3- + Mg+2 + log_k 2.2936 + -delta_H -44.4968 kJ/mol # Calculated enthalpy of reaction Magnesite # Enthalpy of formation: -265.63 kcal/mol - -analytic -1.6665e+002 -4.9469e-002 6.4344e+003 6.5506e+001 1.0045e+002 + -analytic -1.6665e+2 -4.9469e-2 6.4344e+3 6.5506e+1 1.0045e+2 # -Range: 0-300 Magnetite - Fe3O4 +8.0000 H+ = + 1.0000 Fe++ + 2.0000 Fe+++ + 4.0000 H2O - log_k 10.4724 - -delta_H -216.597 kJ/mol # Calculated enthalpy of reaction Magnetite + Fe3O4 + 8 H+ = Fe+2 + 2 Fe+3 + 4 H2O + log_k 10.4724 + -delta_H -216.597 kJ/mol # Calculated enthalpy of reaction Magnetite # Enthalpy of formation: -267.25 kcal/mol - -analytic -3.0510e+002 -7.9919e-002 1.8709e+004 1.1178e+002 2.9203e+002 + -analytic -3.051e+2 -7.9919e-2 1.8709e+4 1.1178e+2 2.9203e+2 # -Range: 0-300 Malachite - Cu2CO3(OH)2 +3.0000 H+ = + 1.0000 HCO3- + 2.0000 Cu++ + 2.0000 H2O - log_k 5.9399 - -delta_H -76.2827 kJ/mol # Calculated enthalpy of reaction Malachite + Cu2CO3(OH)2 + 3 H+ = HCO3- + 2 Cu+2 + 2 H2O + log_k 5.9399 + -delta_H -76.2827 kJ/mol # Calculated enthalpy of reaction Malachite # Enthalpy of formation: -251.9 kcal/mol - -analytic -2.7189e+002 -6.9454e-002 1.1451e+004 1.0511e+002 1.7877e+002 + -analytic -2.7189e+2 -6.9454e-2 1.1451e+4 1.0511e+2 1.7877e+2 # -Range: 0-300 Manganite - MnO(OH) +3.0000 H+ = + 1.0000 Mn+++ + 2.0000 H2O - log_k -0.1646 - -delta_H 0 # Not possible to calculate enthalpy of reaction Manganite + MnO(OH) + 3 H+ = Mn+3 + 2 H2O + log_k -0.1646 + -delta_H 0 # Not possible to calculate enthalpy of reaction Manganite # Enthalpy of formation: 0 kcal/mol Manganosite - MnO +2.0000 H+ = + 1.0000 H2O + 1.0000 Mn++ - log_k 17.9240 - -delta_H -121.215 kJ/mol # Calculated enthalpy of reaction Manganosite + MnO + 2 H+ = H2O + Mn+2 + log_k 17.924 + -delta_H -121.215 kJ/mol # Calculated enthalpy of reaction Manganosite # Enthalpy of formation: -92.07 kcal/mol - -analytic -8.4114e+001 -1.8490e-002 8.7792e+003 3.1561e+001 1.3702e+002 + -analytic -8.4114e+1 -1.849e-2 8.7792e+3 3.1561e+1 1.3702e+2 # -Range: 0-300 Margarite - CaAl4Si2O10(OH)2 +14.0000 H+ = + 1.0000 Ca++ + 2.0000 SiO2 + 4.0000 Al+++ + 8.0000 H2O - log_k 41.0658 - -delta_H -522.192 kJ/mol # Calculated enthalpy of reaction Margarite + CaAl4Si2O10(OH)2 + 14 H+ = Ca+2 + 2 SiO2 + 4 Al+3 + 8 H2O + log_k 41.0658 + -delta_H -522.192 kJ/mol # Calculated enthalpy of reaction Margarite # Enthalpy of formation: -1485.8 kcal/mol - -analytic -2.3138e+002 -8.2788e-002 3.0154e+004 7.9148e+001 4.7060e+002 + -analytic -2.3138e+2 -8.2788e-2 3.0154e+4 7.9148e+1 4.706e+2 # -Range: 0-300 Massicot - PbO +2.0000 H+ = + 1.0000 H2O + 1.0000 Pb++ - log_k 12.8210 - -delta_H -67.6078 kJ/mol # Calculated enthalpy of reaction Massicot + PbO + 2 H+ = H2O + Pb+2 + log_k 12.821 + -delta_H -67.6078 kJ/mol # Calculated enthalpy of reaction Massicot # Enthalpy of formation: -217.31 kJ/mol - -analytic -1.8738e+001 -2.0125e-003 4.2739e+003 7.2018e+000 7.2584e+001 + -analytic -1.8738e+1 -2.0125e-3 4.2739e+3 7.2018e+0 7.2584e+1 # -Range: 0-200 Matlockite - PbFCl = + 1.0000 Cl- + 1.0000 F- + 1.0000 Pb++ - log_k -9.4300 - -delta_H 0 # Not possible to calculate enthalpy of reaction Matlockite + PbFCl = Cl- + F- + Pb+2 + log_k -9.43 + -delta_H 0 # Not possible to calculate enthalpy of reaction Matlockite # Enthalpy of formation: 0 kcal/mol Maximum_Microcline - KAlSi3O8 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 K+ + 2.0000 H2O + 3.0000 SiO2 - log_k -0.2753 - -delta_H -23.9408 kJ/mol # Calculated enthalpy of reaction Maximum_Microcline + KAlSi3O8 + 4 H+ = Al+3 + K+ + 2 H2O + 3 SiO2 + log_k -0.2753 + -delta_H -23.9408 kJ/mol # Calculated enthalpy of reaction Maximum_Microcline # Enthalpy of formation: -949.188 kcal/mol - -analytic -9.4387e+000 1.3561e-002 1.2656e+004 -7.4925e+000 -1.6795e+006 + -analytic -9.4387e+0 1.3561e-2 1.2656e+4 -7.4925e+0 -1.6795e+6 # -Range: 0-300 Mayenite - Ca12Al14O33 +66.0000 H+ = + 12.0000 Ca++ + 14.0000 Al+++ + 33.0000 H2O - log_k 494.2199 - -delta_H -4056.77 kJ/mol # Calculated enthalpy of reaction Mayenite + Ca12Al14O33 + 66 H+ = 12 Ca+2 + 14 Al+3 + 33 H2O + log_k 494.2199 + -delta_H -4056.77 kJ/mol # Calculated enthalpy of reaction Mayenite # Enthalpy of formation: -4644 kcal/mol - -analytic -1.4778e+003 -2.9898e-001 2.4918e+005 4.9518e+002 4.2319e+003 + -analytic -1.4778e+3 -2.9898e-1 2.4918e+5 4.9518e+2 4.2319e+3 # -Range: 0-200 Melanterite - FeSO4:7H2O = + 1.0000 Fe++ + 1.0000 SO4-- + 7.0000 H2O - log_k -2.3490 - -delta_H 11.7509 kJ/mol # Calculated enthalpy of reaction Melanterite + FeSO4:7H2O = Fe+2 + SO4-2 + 7 H2O + log_k -2.349 + -delta_H 11.7509 kJ/mol # Calculated enthalpy of reaction Melanterite # Enthalpy of formation: -3014.48 kJ/mol - -analytic -2.6230e+002 -7.2469e-002 6.5854e+003 1.0484e+002 1.0284e+002 + -analytic -2.623e+2 -7.2469e-2 6.5854e+3 1.0484e+2 1.0284e+2 # -Range: 0-300 Mercallite - KHSO4 = + 1.0000 H+ + 1.0000 K+ + 1.0000 SO4-- - log_k -1.4389 - -delta_H 0 # Not possible to calculate enthalpy of reaction Mercallite + KHSO4 = H+ + K+ + SO4-2 + log_k -1.4389 + -delta_H 0 # Not possible to calculate enthalpy of reaction Mercallite # Enthalpy of formation: 0 kcal/mol Merwinite - MgCa3(SiO4)2 +8.0000 H+ = + 1.0000 Mg++ + 2.0000 SiO2 + 3.0000 Ca++ + 4.0000 H2O - log_k 68.5140 - -delta_H -430.069 kJ/mol # Calculated enthalpy of reaction Merwinite + MgCa3(SiO4)2 + 8 H+ = Mg+2 + 2 SiO2 + 3 Ca+2 + 4 H2O + log_k 68.514 + -delta_H -430.069 kJ/mol # Calculated enthalpy of reaction Merwinite # Enthalpy of formation: -1090.8 kcal/mol - -analytic -2.2524e+002 -4.2525e-002 3.5619e+004 7.9984e+001 -9.8259e+005 + -analytic -2.2524e+2 -4.2525e-2 3.5619e+4 7.9984e+1 -9.8259e+5 # -Range: 0-300 Mesolite - Na.676Ca.657Al1.99Si3.01O10:2.647H2O +7.9600 H+ = + 0.6570 Ca++ + 0.6760 Na+ + 1.9900 Al+++ + 3.0100 SiO2 + 6.6270 H2O - log_k 13.6191 - -delta_H -179.744 kJ/mol # Calculated enthalpy of reaction Mesolite + Na.676Ca.657Al1.99Si3.01O10:2.647H2O + 7.96 H+ = 0.657 Ca+2 + 0.676 Na+ + 1.99 Al+3 + 3.01 SiO2 + 6.627 H2O + log_k 13.6191 + -delta_H -179.744 kJ/mol # Calculated enthalpy of reaction Mesolite # Enthalpy of formation: -5947.05 kJ/mol - -analytic 7.1993e+000 5.9356e-003 1.4717e+004 -1.3627e+001 -9.8863e+005 + -analytic 7.1993e+0 5.9356e-3 1.4717e+4 -1.3627e+1 -9.8863e+5 # -Range: 0-300 Metacinnabar - HgS +1.0000 H+ = + 1.0000 HS- + 1.0000 Hg++ - log_k -38.5979 - -delta_H 203.426 kJ/mol # Calculated enthalpy of reaction Metacinnabar + HgS + H+ = HS- + Hg+2 + log_k -38.5979 + -delta_H 203.426 kJ/mol # Calculated enthalpy of reaction Metacinnabar # Enthalpy of formation: -11.8 kcal/mol - -analytic -1.5399e+002 -4.6740e-002 -6.7875e+003 6.1456e+001 -1.0587e+002 + -analytic -1.5399e+2 -4.674e-2 -6.7875e+3 6.1456e+1 -1.0587e+2 # -Range: 0-300 Mg - Mg +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Mg++ - log_k 122.5365 - -delta_H -745.731 kJ/mol # Calculated enthalpy of reaction Mg + Mg + 2 H+ + 0.5 O2 = H2O + Mg+2 + log_k 122.5365 + -delta_H -745.731 kJ/mol # Calculated enthalpy of reaction Mg # Enthalpy of formation: 0 kJ/mol - -analytic -6.5988e+001 -1.9356e-002 4.0318e+004 2.3862e+001 6.2914e+002 + -analytic -6.5988e+1 -1.9356e-2 4.0318e+4 2.3862e+1 6.2914e+2 # -Range: 0-300 Mg1.25SO4(OH)0.5:0.5H2O - Mg1.25SO4(OH)0.5:0.5H2O +0.5000 H+ = + 1.0000 H2O + 1.0000 SO4-- + 1.2500 Mg++ - log_k 5.2600 - -delta_H -97.1054 kJ/mol # Calculated enthalpy of reaction Mg1.25SO4(OH)0.5:0.5H2O + Mg1.25SO4(OH)0.5:0.5H2O + 0.5 H+ = H2O + SO4-2 + 1.25 Mg+2 + log_k 5.26 + -delta_H -97.1054 kJ/mol # Calculated enthalpy of reaction Mg1.25SO4(OH)0.5:0.5H2O # Enthalpy of formation: -401.717 kcal/mol - -analytic -2.6791e+002 -8.7078e-002 1.1090e+004 1.0583e+002 1.7312e+002 + -analytic -2.6791e+2 -8.7078e-2 1.109e+4 1.0583e+2 1.7312e+2 # -Range: 0-300 Mg1.5SO4(OH) - Mg1.5SO4(OH) +1.0000 H+ = + 1.0000 H2O + 1.0000 SO4-- + 1.5000 Mg++ - log_k 9.2551 - -delta_H -125.832 kJ/mol # Calculated enthalpy of reaction Mg1.5SO4(OH) + Mg1.5SO4(OH) + H+ = H2O + SO4-2 + 1.5 Mg+2 + log_k 9.2551 + -delta_H -125.832 kJ/mol # Calculated enthalpy of reaction Mg1.5SO4(OH) # Enthalpy of formation: -422.693 kcal/mol - -analytic -2.8698e+002 -9.1970e-002 1.3088e+004 1.1304e+002 2.0432e+002 + -analytic -2.8698e+2 -9.197e-2 1.3088e+4 1.1304e+2 2.0432e+2 # -Range: 0-300 Mg2V2O7 - Mg2V2O7 +1.0000 H2O = + 2.0000 H+ + 2.0000 Mg++ + 2.0000 VO4--- - log_k -30.9025 - -delta_H 0 # Not possible to calculate enthalpy of reaction Mg2V2O7 + Mg2V2O7 + H2O = 2 H+ + 2 Mg+2 + 2 VO4-3 + log_k -30.9025 + -delta_H 0 # Not possible to calculate enthalpy of reaction Mg2V2O7 # Enthalpy of formation: -2836.23 kJ/mol MgBr2 - MgBr2 = + 1.0000 Mg++ + 2.0000 Br- - log_k 28.5302 - -delta_H -190.15 kJ/mol # Calculated enthalpy of reaction MgBr2 + MgBr2 = Mg+2 + 2 Br- + log_k 28.5302 + -delta_H -190.15 kJ/mol # Calculated enthalpy of reaction MgBr2 # Enthalpy of formation: -124 kcal/mol - -analytic -2.1245e+002 -7.6168e-002 1.4466e+004 8.6940e+001 2.2579e+002 + -analytic -2.1245e+2 -7.6168e-2 1.4466e+4 8.694e+1 2.2579e+2 # -Range: 0-300 MgBr2:6H2O - MgBr2:6H2O = + 1.0000 Mg++ + 2.0000 Br- + 6.0000 H2O - log_k 5.1656 - -delta_H -14.2682 kJ/mol # Calculated enthalpy of reaction MgBr2:6H2O + MgBr2:6H2O = Mg+2 + 2 Br- + 6 H2O + log_k 5.1656 + -delta_H -14.2682 kJ/mol # Calculated enthalpy of reaction MgBr2:6H2O # Enthalpy of formation: -2409.73 kJ/mol - -analytic -1.3559e+002 -1.6479e-002 5.8571e+003 5.0924e+001 9.9508e+001 + -analytic -1.3559e+2 -1.6479e-2 5.8571e+3 5.0924e+1 9.9508e+1 # -Range: 0-200 MgCl2:2H2O - MgCl2:2H2O = + 1.0000 Mg++ + 2.0000 Cl- + 2.0000 H2O - log_k 12.7763 - -delta_H -92.0895 kJ/mol # Calculated enthalpy of reaction MgCl2:2H2O + MgCl2:2H2O = Mg+2 + 2 Cl- + 2 H2O + log_k 12.7763 + -delta_H -92.0895 kJ/mol # Calculated enthalpy of reaction MgCl2:2H2O # Enthalpy of formation: -1279.71 kJ/mol - -analytic -2.5409e+002 -8.1413e-002 1.0941e+004 1.0281e+002 1.7080e+002 + -analytic -2.5409e+2 -8.1413e-2 1.0941e+4 1.0281e+2 1.708e+2 # -Range: 0-300 MgCl2:4H2O - MgCl2:4H2O = + 1.0000 Mg++ + 2.0000 Cl- + 4.0000 H2O - log_k 7.3581 - -delta_H -44.4602 kJ/mol # Calculated enthalpy of reaction MgCl2:4H2O + MgCl2:4H2O = Mg+2 + 2 Cl- + 4 H2O + log_k 7.3581 + -delta_H -44.4602 kJ/mol # Calculated enthalpy of reaction MgCl2:4H2O # Enthalpy of formation: -1899.01 kJ/mol - -analytic -2.7604e+002 -8.1648e-002 9.5501e+003 1.1140e+002 1.4910e+002 + -analytic -2.7604e+2 -8.1648e-2 9.5501e+3 1.114e+2 1.491e+2 # -Range: 0-300 MgCl2:H2O - MgCl2:H2O = + 1.0000 H2O + 1.0000 Mg++ + 2.0000 Cl- - log_k 16.1187 - -delta_H -119.326 kJ/mol # Calculated enthalpy of reaction MgCl2:H2O + MgCl2:H2O = H2O + Mg+2 + 2 Cl- + log_k 16.1187 + -delta_H -119.326 kJ/mol # Calculated enthalpy of reaction MgCl2:H2O # Enthalpy of formation: -966.631 kJ/mol - -analytic -2.4414e+002 -8.1310e-002 1.1862e+004 9.8878e+001 1.8516e+002 + -analytic -2.4414e+2 -8.131e-2 1.1862e+4 9.8878e+1 1.8516e+2 # -Range: 0-300 MgOHCl - MgOHCl +1.0000 H+ = + 1.0000 Cl- + 1.0000 H2O + 1.0000 Mg++ - log_k 15.9138 - -delta_H -118.897 kJ/mol # Calculated enthalpy of reaction MgOHCl + MgOHCl + H+ = Cl- + H2O + Mg+2 + log_k 15.9138 + -delta_H -118.897 kJ/mol # Calculated enthalpy of reaction MgOHCl # Enthalpy of formation: -191.2 kcal/mol - -analytic -1.6614e+002 -4.9715e-002 1.0311e+004 6.5578e+001 1.6093e+002 + -analytic -1.6614e+2 -4.9715e-2 1.0311e+4 6.5578e+1 1.6093e+2 # -Range: 0-300 MgSO4 - MgSO4 = + 1.0000 Mg++ + 1.0000 SO4-- - log_k 4.8781 - -delta_H -90.6421 kJ/mol # Calculated enthalpy of reaction MgSO4 + MgSO4 = Mg+2 + SO4-2 + log_k 4.8781 + -delta_H -90.6421 kJ/mol # Calculated enthalpy of reaction MgSO4 # Enthalpy of formation: -1284.92 kJ/mol - -analytic -2.2439e+002 -7.9688e-002 9.3058e+003 8.9622e+001 1.4527e+002 + -analytic -2.2439e+2 -7.9688e-2 9.3058e+3 8.9622e+1 1.4527e+2 # -Range: 0-300 MgSeO3 - MgSeO3 = + 1.0000 Mg++ + 1.0000 SeO3-- - log_k 1.7191 - -delta_H -74.9647 kJ/mol # Calculated enthalpy of reaction MgSeO3 + MgSeO3 = Mg+2 + SeO3-2 + log_k 1.7191 + -delta_H -74.9647 kJ/mol # Calculated enthalpy of reaction MgSeO3 # Enthalpy of formation: -215.15 kcal/mol - -analytic -2.2593e+002 -8.1045e-002 8.4609e+003 9.0278e+001 1.3209e+002 + -analytic -2.2593e+2 -8.1045e-2 8.4609e+3 9.0278e+1 1.3209e+2 # -Range: 0-300 MgSeO3:6H2O - MgSeO3:6H2O = + 1.0000 Mg++ + 1.0000 SeO3-- + 6.0000 H2O - log_k -3.4222 - -delta_H 11.7236 kJ/mol # Calculated enthalpy of reaction MgSeO3:6H2O + MgSeO3:6H2O = Mg+2 + SeO3-2 + 6 H2O + log_k -3.4222 + -delta_H 11.7236 kJ/mol # Calculated enthalpy of reaction MgSeO3:6H2O # Enthalpy of formation: -645.771 kcal/mol - -analytic -1.2807e+002 -1.5418e-002 4.0565e+003 4.6728e+001 6.8929e+001 + -analytic -1.2807e+2 -1.5418e-2 4.0565e+3 4.6728e+1 6.8929e+1 # -Range: 0-200 MgUO4 - MgUO4 +4.0000 H+ = + 1.0000 Mg++ + 1.0000 UO2++ + 2.0000 H2O - log_k 23.0023 - -delta_H -199.336 kJ/mol # Calculated enthalpy of reaction MgUO4 + MgUO4 + 4 H+ = Mg+2 + UO2+2 + 2 H2O + log_k 23.0023 + -delta_H -199.336 kJ/mol # Calculated enthalpy of reaction MgUO4 # Enthalpy of formation: -1857.3 kJ/mol - -analytic -9.9954e+001 -2.0142e-002 1.3078e+004 3.4386e+001 2.0410e+002 + -analytic -9.9954e+1 -2.0142e-2 1.3078e+4 3.4386e+1 2.041e+2 # -Range: 0-300 MgV2O6 - MgV2O6 +2.0000 H2O = + 1.0000 Mg++ + 2.0000 VO4--- + 4.0000 H+ - log_k -45.8458 - -delta_H 0 # Not possible to calculate enthalpy of reaction MgV2O6 + MgV2O6 + 2 H2O = Mg+2 + 2 VO4-3 + 4 H+ + log_k -45.8458 + -delta_H 0 # Not possible to calculate enthalpy of reaction MgV2O6 # Enthalpy of formation: -2201.88 kJ/mol Millerite - NiS +1.0000 H+ = + 1.0000 HS- + 1.0000 Ni++ - log_k -8.0345 - -delta_H 12.089 kJ/mol # Calculated enthalpy of reaction Millerite + NiS + H+ = HS- + Ni+2 + log_k -8.0345 + -delta_H 12.089 kJ/mol # Calculated enthalpy of reaction Millerite # Enthalpy of formation: -82.171 kJ/mol - -analytic -1.4848e+002 -4.8834e-002 2.6981e+003 5.8976e+001 4.2145e+001 + -analytic -1.4848e+2 -4.8834e-2 2.6981e+3 5.8976e+1 4.2145e+1 # -Range: 0-300 Minium - Pb3O4 +8.0000 H+ = + 1.0000 Pb++++ + 2.0000 Pb++ + 4.0000 H2O - log_k 16.2585 - -delta_H 0 # Not possible to calculate enthalpy of reaction Minium + Pb3O4 + 8 H+ = Pb+4 + 2 Pb+2 + 4 H2O + log_k 16.2585 + -delta_H 0 # Not possible to calculate enthalpy of reaction Minium # Enthalpy of formation: -718.493 kJ/mol Minnesotaite - Fe3Si4O10(OH)2 +6.0000 H+ = + 3.0000 Fe++ + 4.0000 H2O + 4.0000 SiO2 - log_k 13.9805 - -delta_H -105.211 kJ/mol # Calculated enthalpy of reaction Minnesotaite + Fe3Si4O10(OH)2 + 6 H+ = 3 Fe+2 + 4 H2O + 4 SiO2 + log_k 13.9805 + -delta_H -105.211 kJ/mol # Calculated enthalpy of reaction Minnesotaite # Enthalpy of formation: -1153.37 kcal/mol - -analytic -1.8812e+001 1.7261e-002 1.9804e+004 -6.4410e+000 -2.0433e+006 + -analytic -1.8812e+1 1.7261e-2 1.9804e+4 -6.441e+0 -2.0433e+6 # -Range: 0-300 Mirabilite - Na2SO4:10H2O = + 1.0000 SO4-- + 2.0000 Na+ + 10.0000 H2O - log_k -1.1398 - -delta_H 79.4128 kJ/mol # Calculated enthalpy of reaction Mirabilite + Na2SO4:10H2O = SO4-2 + 2 Na+ + 10 H2O + log_k -1.1398 + -delta_H 79.4128 kJ/mol # Calculated enthalpy of reaction Mirabilite # Enthalpy of formation: -4328 kJ/mol - -analytic -2.1877e+002 -3.6692e-003 5.9214e+003 8.0361e+001 1.0063e+002 + -analytic -2.1877e+2 -3.6692e-3 5.9214e+3 8.0361e+1 1.0063e+2 # -Range: 0-200 Misenite - K8H6(SO4)7 = + 6.0000 H+ + 7.0000 SO4-- + 8.0000 K+ - log_k -11.0757 - -delta_H 0 # Not possible to calculate enthalpy of reaction Misenite + K8H6(SO4)7 = 6 H+ + 7 SO4-2 + 8 K+ + log_k -11.0757 + -delta_H 0 # Not possible to calculate enthalpy of reaction Misenite # Enthalpy of formation: 0 kcal/mol Mn - Mn +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Mn++ - log_k 82.9505 - -delta_H -500.369 kJ/mol # Calculated enthalpy of reaction Mn + Mn + 2 H+ + 0.5 O2 = H2O + Mn+2 + log_k 82.9505 + -delta_H -500.369 kJ/mol # Calculated enthalpy of reaction Mn # Enthalpy of formation: 0 kJ/mol - -analytic -6.5558e+001 -2.0429e-002 2.7571e+004 2.5098e+001 4.3024e+002 + -analytic -6.5558e+1 -2.0429e-2 2.7571e+4 2.5098e+1 4.3024e+2 # -Range: 0-300 Mn(OH)2(am) - Mn(OH)2 +2.0000 H+ = + 1.0000 Mn++ + 2.0000 H2O - log_k 15.3102 - -delta_H -97.1779 kJ/mol # Calculated enthalpy of reaction Mn(OH)2(am) + Mn(OH)2 + 2 H+ = Mn+2 + 2 H2O + log_k 15.3102 + -delta_H -97.1779 kJ/mol # Calculated enthalpy of reaction Mn(OH)2(am) # Enthalpy of formation: -695.096 kJ/mol - -analytic -7.8518e+001 -7.5357e-003 8.0198e+003 2.7955e+001 1.3621e+002 + -analytic -7.8518e+1 -7.5357e-3 8.0198e+3 2.7955e+1 1.3621e+2 # -Range: 0-200 Mn(OH)3 - Mn(OH)3 +3.0000 H+ = + 1.0000 Mn+++ + 3.0000 H2O - log_k 6.3412 - -delta_H 0 # Not possible to calculate enthalpy of reaction Mn(OH)3 + Mn(OH)3 + 3 H+ = Mn+3 + 3 H2O + log_k 6.3412 + -delta_H 0 # Not possible to calculate enthalpy of reaction Mn(OH)3 # Enthalpy of formation: 0 kcal/mol Mn3(PO4)2 - Mn3(PO4)2 +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Mn++ - log_k 0.8167 - -delta_H 0 # Not possible to calculate enthalpy of reaction Mn3(PO4)2 + Mn3(PO4)2 + 2 H+ = 2 HPO4-2 + 3 Mn+2 + log_k 0.8167 + -delta_H 0 # Not possible to calculate enthalpy of reaction Mn3(PO4)2 # Enthalpy of formation: 0 kcal/mol MnCl2:2H2O - MnCl2:2H2O = + 1.0000 Mn++ + 2.0000 Cl- + 2.0000 H2O - log_k 4.0067 - -delta_H -34.4222 kJ/mol # Calculated enthalpy of reaction MnCl2:2H2O + MnCl2:2H2O = Mn+2 + 2 Cl- + 2 H2O + log_k 4.0067 + -delta_H -34.4222 kJ/mol # Calculated enthalpy of reaction MnCl2:2H2O # Enthalpy of formation: -1092.01 kJ/mol - -analytic -6.2823e+001 -2.3959e-002 2.9931e+003 2.5834e+001 5.0850e+001 + -analytic -6.2823e+1 -2.3959e-2 2.9931e+3 2.5834e+1 5.085e+1 # -Range: 0-200 MnCl2:4H2O - MnCl2:4H2O = + 1.0000 Mn++ + 2.0000 Cl- + 4.0000 H2O - log_k 2.7563 - -delta_H -10.7019 kJ/mol # Calculated enthalpy of reaction MnCl2:4H2O + MnCl2:4H2O = Mn+2 + 2 Cl- + 4 H2O + log_k 2.7563 + -delta_H -10.7019 kJ/mol # Calculated enthalpy of reaction MnCl2:4H2O # Enthalpy of formation: -1687.41 kJ/mol - -analytic -1.1049e+002 -2.3376e-002 4.0458e+003 4.3097e+001 6.8742e+001 + -analytic -1.1049e+2 -2.3376e-2 4.0458e+3 4.3097e+1 6.8742e+1 # -Range: 0-200 MnCl2:H2O - MnCl2:H2O = + 1.0000 H2O + 1.0000 Mn++ + 2.0000 Cl- - log_k 5.5517 - -delta_H -50.8019 kJ/mol # Calculated enthalpy of reaction MnCl2:H2O + MnCl2:H2O = H2O + Mn+2 + 2 Cl- + log_k 5.5517 + -delta_H -50.8019 kJ/mol # Calculated enthalpy of reaction MnCl2:H2O # Enthalpy of formation: -789.793 kJ/mol - -analytic -4.5051e+001 -2.5923e-002 2.8739e+003 1.9674e+001 4.8818e+001 + -analytic -4.5051e+1 -2.5923e-2 2.8739e+3 1.9674e+1 4.8818e+1 # -Range: 0-200 MnHPO4 - MnHPO4 = + 1.0000 HPO4-- + 1.0000 Mn++ - log_k -12.9470 - -delta_H 0 # Not possible to calculate enthalpy of reaction MnHPO4 + MnHPO4 = HPO4-2 + Mn+2 + log_k -12.947 + -delta_H 0 # Not possible to calculate enthalpy of reaction MnHPO4 # Enthalpy of formation: 0 kcal/mol MnO2(gamma) - MnO2 = + 0.5000 Mn++ + 0.5000 MnO4-- - log_k -16.1261 - -delta_H 0 # Not possible to calculate enthalpy of reaction MnO2(gamma) + MnO2 = 0.5 Mn+2 + 0.5 MnO4-2 + log_k -16.1261 + -delta_H 0 # Not possible to calculate enthalpy of reaction MnO2(gamma) # Enthalpy of formation: 0 kcal/mol MnSO4 - MnSO4 = + 1.0000 Mn++ + 1.0000 SO4-- - log_k 2.6561 - -delta_H -64.8718 kJ/mol # Calculated enthalpy of reaction MnSO4 + MnSO4 = Mn+2 + SO4-2 + log_k 2.6561 + -delta_H -64.8718 kJ/mol # Calculated enthalpy of reaction MnSO4 # Enthalpy of formation: -1065.33 kJ/mol - -analytic -2.3088e+002 -8.2694e-002 8.1653e+003 9.3256e+001 1.2748e+002 + -analytic -2.3088e+2 -8.2694e-2 8.1653e+3 9.3256e+1 1.2748e+2 # -Range: 0-300 MnSe - MnSe = + 1.0000 Mn++ + 1.0000 Se-- - log_k -10.6848 - -delta_H 0 # Not possible to calculate enthalpy of reaction MnSe + MnSe = Mn+2 + Se-2 + log_k -10.6848 + -delta_H 0 # Not possible to calculate enthalpy of reaction MnSe # Enthalpy of formation: -37 kcal/mol - -analytic -5.9960e+001 -1.5963e-002 1.2813e+003 2.0095e+001 2.0010e+001 + -analytic -5.996e+1 -1.5963e-2 1.2813e+3 2.0095e+1 2.001e+1 # -Range: 0-300 MnSeO3 - MnSeO3 = + 1.0000 Mn++ + 1.0000 SeO3-- - log_k -7.2700 - -delta_H 0 # Not possible to calculate enthalpy of reaction MnSeO3 + MnSeO3 = Mn+2 + SeO3-2 + log_k -7.27 + -delta_H 0 # Not possible to calculate enthalpy of reaction MnSeO3 # Enthalpy of formation: 0 kcal/mol MnSeO3:2H2O - MnSeO3:2H2O = + 1.0000 Mn++ + 1.0000 SeO3-- + 2.0000 H2O - log_k -6.3219 - -delta_H 14.0792 kJ/mol # Calculated enthalpy of reaction MnSeO3:2H2O + MnSeO3:2H2O = Mn+2 + SeO3-2 + 2 H2O + log_k -6.3219 + -delta_H 14.0792 kJ/mol # Calculated enthalpy of reaction MnSeO3:2H2O # Enthalpy of formation: -314.423 kcal/mol - -analytic -4.3625e+001 -2.0426e-002 -2.5368e+002 1.7876e+001 -4.2927e+000 + -analytic -4.3625e+1 -2.0426e-2 -2.5368e+2 1.7876e+1 -4.2927e+0 # -Range: 0-200 MnV2O6 - MnV2O6 +2.0000 H2O = + 1.0000 Mn++ + 2.0000 VO4--- + 4.0000 H+ - log_k -52.0751 - -delta_H 0 # Not possible to calculate enthalpy of reaction MnV2O6 + MnV2O6 + 2 H2O = Mn+2 + 2 VO4-3 + 4 H+ + log_k -52.0751 + -delta_H 0 # Not possible to calculate enthalpy of reaction MnV2O6 # Enthalpy of formation: -447.9 kcal/mol Mo - Mo +1.5000 O2 +1.0000 H2O = + 1.0000 MoO4-- + 2.0000 H+ - log_k 109.3230 - -delta_H -693.845 kJ/mol # Calculated enthalpy of reaction Mo + Mo + 1.5 O2 + H2O = MoO4-2 + 2 H+ + log_k 109.323 + -delta_H -693.845 kJ/mol # Calculated enthalpy of reaction Mo # Enthalpy of formation: 0 kJ/mol - -analytic -2.0021e+002 -8.3006e-002 4.1629e+004 8.0219e+001 -3.4570e+005 + -analytic -2.0021e+2 -8.3006e-2 4.1629e+4 8.0219e+1 -3.457e+5 # -Range: 0-300 MoSe2 - MoSe2 +3.0000 H2O +0.5000 O2 = + 1.0000 MoO4-- + 2.0000 Se-- + 6.0000 H+ - log_k -55.1079 - -delta_H 0 # Not possible to calculate enthalpy of reaction MoSe2 + MoSe2 + 3 H2O + 0.5 O2 = MoO4-2 + 2 Se-2 + 6 H+ + log_k -55.1079 + -delta_H 0 # Not possible to calculate enthalpy of reaction MoSe2 # Enthalpy of formation: -47 kcal/mol - -analytic 1.3882e+002 -1.8590e-003 -1.7231e+004 -5.4797e+001 -2.9265e+002 + -analytic 1.3882e+2 -1.859e-3 -1.7231e+4 -5.4797e+1 -2.9265e+2 # -Range: 0-200 Modderite - CoAs +3.0000 H+ = + 1.0000 AsH3 + 1.0000 Co+++ - log_k -49.5512 - -delta_H 189.016 kJ/mol # Calculated enthalpy of reaction Modderite + CoAs + 3 H+ = AsH3 + Co+3 + log_k -49.5512 + -delta_H 189.016 kJ/mol # Calculated enthalpy of reaction Modderite # Enthalpy of formation: -12.208 kcal/mol Molysite - FeCl3 = + 1.0000 Fe+++ + 3.0000 Cl- - log_k 13.5517 - -delta_H -151.579 kJ/mol # Calculated enthalpy of reaction Molysite + FeCl3 = Fe+3 + 3 Cl- + log_k 13.5517 + -delta_H -151.579 kJ/mol # Calculated enthalpy of reaction Molysite # Enthalpy of formation: -399.24 kJ/mol - -analytic -3.1810e+002 -1.2357e-001 1.3860e+004 1.3010e+002 2.1637e+002 + -analytic -3.181e+2 -1.2357e-1 1.386e+4 1.301e+2 2.1637e+2 # -Range: 0-300 Monohydrocalcite - CaCO3:H2O +1.0000 H+ = + 1.0000 Ca++ + 1.0000 H2O + 1.0000 HCO3- - log_k 2.6824 - -delta_H -20.5648 kJ/mol # Calculated enthalpy of reaction Monohydrocalcite + CaCO3:H2O + H+ = Ca+2 + H2O + HCO3- + log_k 2.6824 + -delta_H -20.5648 kJ/mol # Calculated enthalpy of reaction Monohydrocalcite # Enthalpy of formation: -1498.29 kJ/mol - -analytic -7.2614e+001 -1.7217e-002 3.1850e+003 2.8185e+001 5.4111e+001 + -analytic -7.2614e+1 -1.7217e-2 3.185e+3 2.8185e+1 5.4111e+1 # -Range: 0-200 Monteponite - CdO +2.0000 H+ = + 1.0000 Cd++ + 1.0000 H2O - log_k 15.0972 - -delta_H -103.386 kJ/mol # Calculated enthalpy of reaction Monteponite + CdO + 2 H+ = Cd+2 + H2O + log_k 15.0972 + -delta_H -103.386 kJ/mol # Calculated enthalpy of reaction Monteponite # Enthalpy of formation: -258.35 kJ/mol - -analytic -5.0057e+001 -6.3629e-003 7.0898e+003 1.7486e+001 1.2041e+002 + -analytic -5.0057e+1 -6.3629e-3 7.0898e+3 1.7486e+1 1.2041e+2 # -Range: 0-200 Monticellite - CaMgSiO4 +4.0000 H+ = + 1.0000 Ca++ + 1.0000 Mg++ + 1.0000 SiO2 + 2.0000 H2O - log_k 29.5852 - -delta_H -195.711 kJ/mol # Calculated enthalpy of reaction Monticellite + CaMgSiO4 + 4 H+ = Ca+2 + Mg+2 + SiO2 + 2 H2O + log_k 29.5852 + -delta_H -195.711 kJ/mol # Calculated enthalpy of reaction Monticellite # Enthalpy of formation: -540.8 kcal/mol - -analytic 1.5730e+001 -3.5567e-003 9.0789e+003 -6.3007e+000 1.4166e+002 + -analytic 1.573e+1 -3.5567e-3 9.0789e+3 -6.3007e+0 1.4166e+2 # -Range: 0-300 Montmor-Ca - Ca.165Mg.33Al1.67Si4O10(OH)2 +6.0000 H+ = + 0.1650 Ca++ + 0.3300 Mg++ + 1.6700 Al+++ + 4.0000 H2O + 4.0000 SiO2 - log_k 2.4952 - -delta_H -100.154 kJ/mol # Calculated enthalpy of reaction Montmor-Ca + Ca.165Mg.33Al1.67Si4O10(OH)2 + 6 H+ = 0.165 Ca+2 + 0.33 Mg+2 + 1.67 Al+3 + 4 H2O + 4 SiO2 + log_k 2.4952 + -delta_H -100.154 kJ/mol # Calculated enthalpy of reaction Montmor-Ca # Enthalpy of formation: -1361.5 kcal/mol - -analytic 6.0725e+000 1.0644e-002 1.6024e+004 -1.6334e+001 -1.7982e+006 + -analytic 6.0725e+0 1.0644e-2 1.6024e+4 -1.6334e+1 -1.7982e+6 # -Range: 0-300 Montmor-Cs - Cs.33Mg.33Al1.67Si4O10(OH)2 +6.0000 H+ = + 0.3300 Cs+ + 0.3300 Mg++ + 1.6700 Al+++ + 4.0000 H2O + 4.0000 SiO2 - log_k 1.9913 - -delta_H -87.2259 kJ/mol # Calculated enthalpy of reaction Montmor-Cs + Cs.33Mg.33Al1.67Si4O10(OH)2 + 6 H+ = 0.33 Cs+ + 0.33 Mg+2 + 1.67 Al+3 + 4 H2O + 4 SiO2 + log_k 1.9913 + -delta_H -87.2259 kJ/mol # Calculated enthalpy of reaction Montmor-Cs # Enthalpy of formation: -1363.52 kcal/mol - -analytic 9.9136e+000 1.2496e-002 1.5650e+004 -1.7601e+001 -1.8434e+006 + -analytic 9.9136e+0 1.2496e-2 1.565e+4 -1.7601e+1 -1.8434e+6 # -Range: 0-300 Montmor-K - K.33Mg.33Al1.67Si4O10(OH)2 +6.0000 H+ = + 0.3300 K+ + 0.3300 Mg++ + 1.6700 Al+++ + 4.0000 H2O + 4.0000 SiO2 - log_k 2.1423 - -delta_H -88.184 kJ/mol # Calculated enthalpy of reaction Montmor-K + K.33Mg.33Al1.67Si4O10(OH)2 + 6 H+ = 0.33 K+ + 0.33 Mg+2 + 1.67 Al+3 + 4 H2O + 4 SiO2 + log_k 2.1423 + -delta_H -88.184 kJ/mol # Calculated enthalpy of reaction Montmor-K # Enthalpy of formation: -1362.83 kcal/mol - -analytic 8.4757e+000 1.1219e-002 1.5654e+004 -1.6833e+001 -1.8386e+006 + -analytic 8.4757e+0 1.1219e-2 1.5654e+4 -1.6833e+1 -1.8386e+6 # -Range: 0-300 Montmor-Mg - Mg.495Al1.67Si4O10(OH)2 +6.0000 H+ = + 0.4950 Mg++ + 1.6700 Al+++ + 4.0000 H2O + 4.0000 SiO2 - log_k 2.3879 - -delta_H -102.608 kJ/mol # Calculated enthalpy of reaction Montmor-Mg + Mg.495Al1.67Si4O10(OH)2 + 6 H+ = 0.495 Mg+2 + 1.67 Al+3 + 4 H2O + 4 SiO2 + log_k 2.3879 + -delta_H -102.608 kJ/mol # Calculated enthalpy of reaction Montmor-Mg # Enthalpy of formation: -1357.87 kcal/mol - -analytic -6.8505e+000 9.0710e-003 1.6817e+004 -1.1887e+001 -1.8323e+006 + -analytic -6.8505e+0 9.071e-3 1.6817e+4 -1.1887e+1 -1.8323e+6 # -Range: 0-300 Montmor-Na - Na.33Mg.33Al1.67Si4O10(OH)2 +6.0000 H+ = + 0.3300 Mg++ + 0.3300 Na+ + 1.6700 Al+++ + 4.0000 H2O + 4.0000 SiO2 - log_k 2.4844 - -delta_H -93.2165 kJ/mol # Calculated enthalpy of reaction Montmor-Na + Na.33Mg.33Al1.67Si4O10(OH)2 + 6 H+ = 0.33 Mg+2 + 0.33 Na+ + 1.67 Al+3 + 4 H2O + 4 SiO2 + log_k 2.4844 + -delta_H -93.2165 kJ/mol # Calculated enthalpy of reaction Montmor-Na # Enthalpy of formation: -1360.69 kcal/mol - -analytic 1.9601e+000 1.1342e-002 1.6051e+004 -1.4718e+001 -1.8160e+006 + -analytic 1.9601e+0 1.1342e-2 1.6051e+4 -1.4718e+1 -1.816e+6 # -Range: 0-300 Montroydite - HgO +2.0000 H+ = + 1.0000 H2O + 1.0000 Hg++ - log_k 2.4486 - -delta_H -24.885 kJ/mol # Calculated enthalpy of reaction Montroydite + HgO + 2 H+ = H2O + Hg+2 + log_k 2.4486 + -delta_H -24.885 kJ/mol # Calculated enthalpy of reaction Montroydite # Enthalpy of formation: -90.79 kJ/mol - -analytic -8.7302e+001 -1.7618e-002 4.0086e+003 3.2957e+001 6.2576e+001 + -analytic -8.7302e+1 -1.7618e-2 4.0086e+3 3.2957e+1 6.2576e+1 # -Range: 0-300 Mordenite - Ca.2895Na.361Al.94Si5.06O12:3.468H2O +3.7600 H+ = + 0.2895 Ca++ + 0.3610 Na+ + 0.9400 Al+++ + 5.0600 SiO2 + 5.3480 H2O - log_k -5.1969 - -delta_H 16.7517 kJ/mol # Calculated enthalpy of reaction Mordenite + Ca.2895Na.361Al.94Si5.06O12:3.468H2O + 3.76 H+ = 0.2895 Ca+2 + 0.361 Na+ + 0.94 Al+3 + 5.06 SiO2 + 5.348 H2O + log_k -5.1969 + -delta_H 16.7517 kJ/mol # Calculated enthalpy of reaction Mordenite # Enthalpy of formation: -6736.64 kJ/mol - -analytic -5.4675e+001 3.2513e-002 2.3412e+004 -1.0419e+000 -3.2292e+006 + -analytic -5.4675e+1 3.2513e-2 2.3412e+4 -1.0419e+0 -3.2292e+6 # -Range: 0-300 Mordenite-dehy - Ca.2895Na.361Al.94Si5.06O12 +3.7600 H+ = + 0.2895 Ca++ + 0.3610 Na+ + 0.9400 Al+++ + 1.8800 H2O + 5.0600 SiO2 - log_k 9.9318 - -delta_H -86.159 kJ/mol # Calculated enthalpy of reaction Mordenite-dehy + Ca.2895Na.361Al.94Si5.06O12 + 3.76 H+ = 0.2895 Ca+2 + 0.361 Na+ + 0.94 Al+3 + 1.88 H2O + 5.06 SiO2 + log_k 9.9318 + -delta_H -86.159 kJ/mol # Calculated enthalpy of reaction Mordenite-dehy # Enthalpy of formation: -5642.44 kJ/mol - -analytic -5.0841e+001 2.5405e-002 2.7621e+004 -1.6331e+000 -3.1618e+006 + -analytic -5.0841e+1 2.5405e-2 2.7621e+4 -1.6331e+0 -3.1618e+6 # -Range: 0-300 Morenosite - NiSO4:7H2O = + 1.0000 Ni++ + 1.0000 SO4-- + 7.0000 H2O - log_k -2.0140 - -delta_H 12.0185 kJ/mol # Calculated enthalpy of reaction Morenosite + NiSO4:7H2O = Ni+2 + SO4-2 + 7 H2O + log_k -2.014 + -delta_H 12.0185 kJ/mol # Calculated enthalpy of reaction Morenosite # Enthalpy of formation: -2976.46 kJ/mol - -analytic -2.6654e+002 -7.2132e-002 6.7983e+003 1.0636e+002 1.0616e+002 + -analytic -2.6654e+2 -7.2132e-2 6.7983e+3 1.0636e+2 1.0616e+2 # -Range: 0-300 Muscovite - KAl3Si3O10(OH)2 +10.0000 H+ = + 1.0000 K+ + 3.0000 Al+++ + 3.0000 SiO2 + 6.0000 H2O - log_k 13.5858 - -delta_H -243.224 kJ/mol # Calculated enthalpy of reaction Muscovite + KAl3Si3O10(OH)2 + 10 H+ = K+ + 3 Al+3 + 3 SiO2 + 6 H2O + log_k 13.5858 + -delta_H -243.224 kJ/mol # Calculated enthalpy of reaction Muscovite # Enthalpy of formation: -1427.41 kcal/mol - -analytic 3.3085e+001 -1.2425e-002 1.2477e+004 -2.0865e+001 -5.4692e+005 + -analytic 3.3085e+1 -1.2425e-2 1.2477e+4 -2.0865e+1 -5.4692e+5 # -Range: 0-300 NH4HSe - NH4HSe = + 1.0000 NH3 + 1.0000 Se-- + 2.0000 H+ - log_k -22.0531 - -delta_H 0 # Not possible to calculate enthalpy of reaction NH4HSe + NH4HSe = NH3 + Se-2 + 2 H+ + log_k -22.0531 + -delta_H 0 # Not possible to calculate enthalpy of reaction NH4HSe # Enthalpy of formation: -133.041 kJ/mol - -analytic -8.8685e+000 6.7342e-003 -5.3028e+003 1.0468e+000 -9.0046e+001 + -analytic -8.8685e+0 6.7342e-3 -5.3028e+3 1.0468e+0 -9.0046e+1 # -Range: 0-200 Na - Na +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Na+ - log_k 67.3804 - -delta_H -380.185 kJ/mol # Calculated enthalpy of reaction Na + Na + H+ + 0.25 O2 = 0.5 H2O + Na+ + log_k 67.3804 + -delta_H -380.185 kJ/mol # Calculated enthalpy of reaction Na # Enthalpy of formation: 0 kJ/mol - -analytic -4.0458e+001 -8.7899e-003 2.1223e+004 1.5927e+001 -1.2715e+004 + -analytic -4.0458e+1 -8.7899e-3 2.1223e+4 1.5927e+1 -1.2715e+4 # -Range: 0-300 Na2CO3 - Na2CO3 +1.0000 H+ = + 1.0000 HCO3- + 2.0000 Na+ - log_k 11.1822 - -delta_H -39.8526 kJ/mol # Calculated enthalpy of reaction Na2CO3 + Na2CO3 + H+ = HCO3- + 2 Na+ + log_k 11.1822 + -delta_H -39.8526 kJ/mol # Calculated enthalpy of reaction Na2CO3 # Enthalpy of formation: -1130.68 kJ/mol - -analytic -1.5495e+002 -4.3374e-002 6.4821e+003 6.3571e+001 1.0119e+002 + -analytic -1.5495e+2 -4.3374e-2 6.4821e+3 6.3571e+1 1.0119e+2 # -Range: 0-300 Na2CO3:7H2O - Na2CO3:7H2O +1.0000 H+ = + 1.0000 HCO3- + 2.0000 Na+ + 7.0000 H2O - log_k 9.9459 - -delta_H 27.7881 kJ/mol # Calculated enthalpy of reaction Na2CO3:7H2O + Na2CO3:7H2O + H+ = HCO3- + 2 Na+ + 7 H2O + log_k 9.9459 + -delta_H 27.7881 kJ/mol # Calculated enthalpy of reaction Na2CO3:7H2O # Enthalpy of formation: -3199.19 kJ/mol - -analytic -2.0593e+002 -3.4509e-003 8.1601e+003 7.6594e+001 1.3864e+002 + -analytic -2.0593e+2 -3.4509e-3 8.1601e+3 7.6594e+1 1.3864e+2 # -Range: 0-200 Na2Cr2O7 - Na2Cr2O7 +1.0000 H2O = + 2.0000 CrO4-- + 2.0000 H+ + 2.0000 Na+ - log_k -10.1597 - -delta_H 21.9702 kJ/mol # Calculated enthalpy of reaction Na2Cr2O7 + Na2Cr2O7 + H2O = 2 CrO4-2 + 2 H+ + 2 Na+ + log_k -10.1597 + -delta_H 21.9702 kJ/mol # Calculated enthalpy of reaction Na2Cr2O7 # Enthalpy of formation: -473 kcal/mol - -analytic 4.4885e+001 -2.4919e-002 -5.0321e+003 -1.2430e+001 -8.5468e+001 + -analytic 4.4885e+1 -2.4919e-2 -5.0321e+3 -1.243e+1 -8.5468e+1 # -Range: 0-200 Na2CrO4 - Na2CrO4 = + 1.0000 CrO4-- + 2.0000 Na+ - log_k 2.9103 - -delta_H -19.5225 kJ/mol # Calculated enthalpy of reaction Na2CrO4 + Na2CrO4 = CrO4-2 + 2 Na+ + log_k 2.9103 + -delta_H -19.5225 kJ/mol # Calculated enthalpy of reaction Na2CrO4 # Enthalpy of formation: -320.8 kcal/mol - -analytic 5.4985e+000 -9.9008e-003 1.0510e+002 0.0000e+000 0.0000e+000 + -analytic 5.4985e+0 -9.9008e-3 1.051e+2 0e+0 0e+0 # -Range: 0-200 Na2O - Na2O +2.0000 H+ = + 1.0000 H2O + 2.0000 Na+ - log_k 67.4269 - -delta_H -351.636 kJ/mol # Calculated enthalpy of reaction Na2O + Na2O + 2 H+ = H2O + 2 Na+ + log_k 67.4269 + -delta_H -351.636 kJ/mol # Calculated enthalpy of reaction Na2O # Enthalpy of formation: -99.14 kcal/mol - -analytic -6.3585e+001 -8.4695e-003 2.0923e+004 2.5601e+001 3.2651e+002 + -analytic -6.3585e+1 -8.4695e-3 2.0923e+4 2.5601e+1 3.2651e+2 # -Range: 0-300 Na2Se - Na2Se = + 1.0000 Se-- + 2.0000 Na+ - log_k 11.8352 - -delta_H 0 # Not possible to calculate enthalpy of reaction Na2Se + Na2Se = Se-2 + 2 Na+ + log_k 11.8352 + -delta_H 0 # Not possible to calculate enthalpy of reaction Na2Se # Enthalpy of formation: -81.9 kcal/mol - -analytic -6.0070e+000 8.2821e-003 4.5816e+003 0.0000e+000 0.0000e+000 + -analytic -6.007e+0 8.2821e-3 4.5816e+3 0e+0 0e+0 # -Range: 0-200 Na2Se2 - Na2Se2 +1.0000 H2O = + 0.5000 O2 + 2.0000 H+ + 2.0000 Na+ + 2.0000 Se-- - log_k -61.3466 - -delta_H 0 # Not possible to calculate enthalpy of reaction Na2Se2 + Na2Se2 + H2O = 0.5 O2 + 2 H+ + 2 Na+ + 2 Se-2 + log_k -61.3466 + -delta_H 0 # Not possible to calculate enthalpy of reaction Na2Se2 # Enthalpy of formation: -92.8 kcal/mol - -analytic -2.7836e+001 7.7035e-003 -1.5040e+004 5.9131e+000 -2.5539e+002 + -analytic -2.7836e+1 7.7035e-3 -1.504e+4 5.9131e+0 -2.5539e+2 # -Range: 0-200 Na2SiO3 - Na2SiO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 SiO2 + 2.0000 Na+ - log_k 22.2418 - -delta_H -82.7093 kJ/mol # Calculated enthalpy of reaction Na2SiO3 + Na2SiO3 + 2 H+ = H2O + SiO2 + 2 Na+ + log_k 22.2418 + -delta_H -82.7093 kJ/mol # Calculated enthalpy of reaction Na2SiO3 # Enthalpy of formation: -373.19 kcal/mol - -analytic -3.4928e+001 5.6905e-003 1.0284e+004 1.1197e+001 -6.0134e+005 + -analytic -3.4928e+1 5.6905e-3 1.0284e+4 1.1197e+1 -6.0134e+5 # -Range: 0-300 Na2U2O7 - Na2U2O7 +6.0000 H+ = + 2.0000 Na+ + 2.0000 UO2++ + 3.0000 H2O - log_k 22.5917 - -delta_H -172.314 kJ/mol # Calculated enthalpy of reaction Na2U2O7 + Na2U2O7 + 6 H+ = 2 Na+ + 2 UO2+2 + 3 H2O + log_k 22.5917 + -delta_H -172.314 kJ/mol # Calculated enthalpy of reaction Na2U2O7 # Enthalpy of formation: -3203.8 kJ/mol - -analytic -8.6640e+001 -1.0903e-002 1.1841e+004 2.9406e+001 1.8479e+002 + -analytic -8.664e+1 -1.0903e-2 1.1841e+4 2.9406e+1 1.8479e+2 # -Range: 0-300 Na2UO4(alpha) - Na2UO4 +4.0000 H+ = + 1.0000 UO2++ + 2.0000 H2O + 2.0000 Na+ - log_k 30.0231 - -delta_H -173.576 kJ/mol # Calculated enthalpy of reaction Na2UO4(alpha) + Na2UO4 + 4 H+ = UO2+2 + 2 H2O + 2 Na+ + log_k 30.0231 + -delta_H -173.576 kJ/mol # Calculated enthalpy of reaction Na2UO4(alpha) # Enthalpy of formation: -1897.7 kJ/mol - -analytic -7.9767e+001 -1.0253e-002 1.1963e+004 2.9386e+001 1.8669e+002 + -analytic -7.9767e+1 -1.0253e-2 1.1963e+4 2.9386e+1 1.8669e+2 # -Range: 0-300 Na3H(SO4)2 - Na3H(SO4)2 = + 1.0000 H+ + 2.0000 SO4-- + 3.0000 Na+ - log_k -0.8906 - -delta_H 0 # Not possible to calculate enthalpy of reaction Na3H(SO4)2 + Na3H(SO4)2 = H+ + 2 SO4-2 + 3 Na+ + log_k -0.8906 + -delta_H 0 # Not possible to calculate enthalpy of reaction Na3H(SO4)2 # Enthalpy of formation: 0 kcal/mol Na3UO4 - Na3UO4 +4.0000 H+ = + 1.0000 UO2+ + 2.0000 H2O + 3.0000 Na+ - log_k 56.2574 - -delta_H -293.703 kJ/mol # Calculated enthalpy of reaction Na3UO4 + Na3UO4 + 4 H+ = UO2+ + 2 H2O + 3 Na+ + log_k 56.2574 + -delta_H -293.703 kJ/mol # Calculated enthalpy of reaction Na3UO4 # Enthalpy of formation: -2024 kJ/mol - -analytic -9.6724e+001 -6.2485e-003 1.9469e+004 3.6180e+001 3.0382e+002 + -analytic -9.6724e+1 -6.2485e-3 1.9469e+4 3.618e+1 3.0382e+2 # -Range: 0-300 Na4Ca(SO4)3:2H2O - Na4Ca(SO4)3:2H2O = + 1.0000 Ca++ + 2.0000 H2O + 3.0000 SO4-- + 4.0000 Na+ - log_k -5.8938 - -delta_H 0 # Not possible to calculate enthalpy of reaction Na4Ca(SO4)3:2H2O + Na4Ca(SO4)3:2H2O = Ca+2 + 2 H2O + 3 SO4-2 + 4 Na+ + log_k -5.8938 + -delta_H 0 # Not possible to calculate enthalpy of reaction Na4Ca(SO4)3:2H2O # Enthalpy of formation: 0 kcal/mol Na4SiO4 - Na4SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 H2O + 4.0000 Na+ - log_k 70.6449 - -delta_H -327.779 kJ/mol # Calculated enthalpy of reaction Na4SiO4 + Na4SiO4 + 4 H+ = SiO2 + 2 H2O + 4 Na+ + log_k 70.6449 + -delta_H -327.779 kJ/mol # Calculated enthalpy of reaction Na4SiO4 # Enthalpy of formation: -497.8 kcal/mol - -analytic -1.1969e+002 -6.5032e-003 2.6469e+004 4.4626e+001 -6.2007e+005 + -analytic -1.1969e+2 -6.5032e-3 2.6469e+4 4.4626e+1 -6.2007e+5 # -Range: 0-300 Na4UO2(CO3)3 - Na4UO2(CO3)3 +3.0000 H+ = + 1.0000 UO2++ + 3.0000 HCO3- + 4.0000 Na+ - log_k 4.0395 - -delta_H 0 # Not possible to calculate enthalpy of reaction Na4UO2(CO3)3 + Na4UO2(CO3)3 + 3 H+ = UO2+2 + 3 HCO3- + 4 Na+ + log_k 4.0395 + -delta_H 0 # Not possible to calculate enthalpy of reaction Na4UO2(CO3)3 # Enthalpy of formation: 0 kcal/mol Na6Si2O7 - Na6Si2O7 +6.0000 H+ = + 2.0000 SiO2 + 3.0000 H2O + 6.0000 Na+ - log_k 101.6199 - -delta_H -471.951 kJ/mol # Calculated enthalpy of reaction Na6Si2O7 + Na6Si2O7 + 6 H+ = 2 SiO2 + 3 H2O + 6 Na+ + log_k 101.6199 + -delta_H -471.951 kJ/mol # Calculated enthalpy of reaction Na6Si2O7 # Enthalpy of formation: -856.3 kcal/mol - -analytic -1.0590e+002 4.5576e-003 3.6830e+004 3.8030e+001 -1.0276e+006 + -analytic -1.059e+2 4.5576e-3 3.683e+4 3.803e+1 -1.0276e+6 # -Range: 0-300 NaBr - NaBr = + 1.0000 Br- + 1.0000 Na+ - log_k 2.9739 - -delta_H -0.741032 kJ/mol # Calculated enthalpy of reaction NaBr + NaBr = Br- + Na+ + log_k 2.9739 + -delta_H -0.741032 kJ/mol # Calculated enthalpy of reaction NaBr # Enthalpy of formation: -361.062 kJ/mol - -analytic -9.3227e+001 -3.2780e-002 2.2910e+003 3.9713e+001 3.5777e+001 + -analytic -9.3227e+1 -3.278e-2 2.291e+3 3.9713e+1 3.5777e+1 # -Range: 0-300 NaBr:2H2O - NaBr:2H2O = + 1.0000 Br- + 1.0000 Na+ + 2.0000 H2O - log_k 2.1040 - -delta_H 18.4883 kJ/mol # Calculated enthalpy of reaction NaBr:2H2O + NaBr:2H2O = Br- + Na+ + 2 H2O + log_k 2.104 + -delta_H 18.4883 kJ/mol # Calculated enthalpy of reaction NaBr:2H2O # Enthalpy of formation: -951.968 kJ/mol - -analytic -4.1855e+001 -4.6170e-003 8.3883e+002 1.7182e+001 1.4259e+001 + -analytic -4.1855e+1 -4.617e-3 8.3883e+2 1.7182e+1 1.4259e+1 # -Range: 0-200 NaFeO2 - NaFeO2 +4.0000 H+ = + 1.0000 Fe+++ + 1.0000 Na+ + 2.0000 H2O - log_k 19.8899 - -delta_H -163.339 kJ/mol # Calculated enthalpy of reaction NaFeO2 + NaFeO2 + 4 H+ = Fe+3 + Na+ + 2 H2O + log_k 19.8899 + -delta_H -163.339 kJ/mol # Calculated enthalpy of reaction NaFeO2 # Enthalpy of formation: -698.218 kJ/mol - -analytic -7.0047e+001 -9.6226e-003 1.0647e+004 2.3071e+001 1.8082e+002 + -analytic -7.0047e+1 -9.6226e-3 1.0647e+4 2.3071e+1 1.8082e+2 # -Range: 0-200 NaNpO2CO3:3.5H2O - NaNpO2CO3:3.5H2O +1.0000 H+ = + 1.0000 HCO3- + 1.0000 Na+ + 1.0000 NpO2+ + 3.5000 H2O - log_k -1.2342 - -delta_H 27.0979 kJ/mol # Calculated enthalpy of reaction NaNpO2CO3:3.5H2O + NaNpO2CO3:3.5H2O + H+ = HCO3- + Na+ + NpO2+ + 3.5 H2O + log_k -1.2342 + -delta_H 27.0979 kJ/mol # Calculated enthalpy of reaction NaNpO2CO3:3.5H2O # Enthalpy of formation: -2935.76 kJ/mol - -analytic -1.4813e+002 -2.7355e-002 3.6537e+003 5.7701e+001 5.7055e+001 + -analytic -1.4813e+2 -2.7355e-2 3.6537e+3 5.7701e+1 5.7055e+1 # -Range: 0-300 NaTcO4 - NaTcO4 = + 1.0000 Na+ + 1.0000 TcO4- - log_k 1.5208 - -delta_H 0 # Not possible to calculate enthalpy of reaction NaTcO4 + NaTcO4 = Na+ + TcO4- + log_k 1.5208 + -delta_H 0 # Not possible to calculate enthalpy of reaction NaTcO4 # Enthalpy of formation: 0 kcal/mol NaUO3 - NaUO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 Na+ + 1.0000 UO2+ - log_k 8.3371 - -delta_H -56.365 kJ/mol # Calculated enthalpy of reaction NaUO3 + NaUO3 + 2 H+ = H2O + Na+ + UO2+ + log_k 8.3371 + -delta_H -56.365 kJ/mol # Calculated enthalpy of reaction NaUO3 # Enthalpy of formation: -1494.9 kJ/mol - -analytic -3.6363e+001 7.0505e-004 4.5359e+003 1.1828e+001 7.0790e+001 + -analytic -3.6363e+1 7.0505e-4 4.5359e+3 1.1828e+1 7.079e+1 # -Range: 0-300 Nahcolite - NaHCO3 = + 1.0000 HCO3- + 1.0000 Na+ - log_k -0.1118 - -delta_H 17.0247 kJ/mol # Calculated enthalpy of reaction Nahcolite + NaHCO3 = HCO3- + Na+ + log_k -0.1118 + -delta_H 17.0247 kJ/mol # Calculated enthalpy of reaction Nahcolite # Enthalpy of formation: -226.4 kcal/mol - -analytic -2.2282e+002 -5.9693e-002 5.4887e+003 8.9744e+001 8.5712e+001 + -analytic -2.2282e+2 -5.9693e-2 5.4887e+3 8.9744e+1 8.5712e+1 # -Range: 0-300 Nantokite - CuCl = + 1.0000 Cl- + 1.0000 Cu+ - log_k -6.7623 - -delta_H 41.9296 kJ/mol # Calculated enthalpy of reaction Nantokite + CuCl = Cl- + Cu+ + log_k -6.7623 + -delta_H 41.9296 kJ/mol # Calculated enthalpy of reaction Nantokite # Enthalpy of formation: -137.329 kJ/mol - -analytic -2.2442e+001 -1.1201e-002 -1.8709e+003 1.0221e+001 -3.1763e+001 + -analytic -2.2442e+1 -1.1201e-2 -1.8709e+3 1.0221e+1 -3.1763e+1 # -Range: 0-200 Natrolite - Na2Al2Si3O10:2H2O +8.0000 H+ = + 2.0000 Al+++ + 2.0000 Na+ + 3.0000 SiO2 + 6.0000 H2O - log_k 18.5204 - -delta_H -186.971 kJ/mol # Calculated enthalpy of reaction Natrolite + Na2Al2Si3O10:2H2O + 8 H+ = 2 Al+3 + 2 Na+ + 3 SiO2 + 6 H2O + log_k 18.5204 + -delta_H -186.971 kJ/mol # Calculated enthalpy of reaction Natrolite # Enthalpy of formation: -5718.56 kJ/mol - -analytic -2.7712e+001 -2.7963e-003 1.6075e+004 1.5332e+000 -9.5765e+005 + -analytic -2.7712e+1 -2.7963e-3 1.6075e+4 1.5332e+0 -9.5765e+5 # -Range: 0-300 Natron - Na2CO3:10H2O +1.0000 H+ = + 1.0000 HCO3- + 2.0000 Na+ + 10.0000 H2O - log_k 9.6102 - -delta_H 50.4781 kJ/mol # Calculated enthalpy of reaction Natron + Na2CO3:10H2O + H+ = HCO3- + 2 Na+ + 10 H2O + log_k 9.6102 + -delta_H 50.4781 kJ/mol # Calculated enthalpy of reaction Natron # Enthalpy of formation: -4079.39 kJ/mol - -analytic -1.9981e+002 -2.9247e-002 5.2937e+003 8.0973e+001 8.2662e+001 + -analytic -1.9981e+2 -2.9247e-2 5.2937e+3 8.0973e+1 8.2662e+1 # -Range: 0-300 Natrosilite - Na2Si2O5 +2.0000 H+ = + 1.0000 H2O + 2.0000 Na+ + 2.0000 SiO2 - log_k 18.1337 - -delta_H -51.7686 kJ/mol # Calculated enthalpy of reaction Natrosilite + Na2Si2O5 + 2 H+ = H2O + 2 Na+ + 2 SiO2 + log_k 18.1337 + -delta_H -51.7686 kJ/mol # Calculated enthalpy of reaction Natrosilite # Enthalpy of formation: -590.36 kcal/mol - -analytic -2.7628e+001 1.6865e-002 1.3302e+004 4.2356e+000 -1.2828e+006 + -analytic -2.7628e+1 1.6865e-2 1.3302e+4 4.2356e+0 -1.2828e+6 # -Range: 0-300 Naumannite - Ag2Se = + 1.0000 Se-- + 2.0000 Ag+ - log_k -57.4427 - -delta_H 0 # Not possible to calculate enthalpy of reaction Naumannite + Ag2Se = Se-2 + 2 Ag+ + log_k -57.4427 + -delta_H 0 # Not possible to calculate enthalpy of reaction Naumannite # Enthalpy of formation: -37.441 kJ/mol - -analytic -5.3844e+001 -1.0965e-002 -1.4739e+004 1.9842e+001 -2.2998e+002 + -analytic -5.3844e+1 -1.0965e-2 -1.4739e+4 1.9842e+1 -2.2998e+2 # -Range: 0-300 Nd - Nd +3.0000 H+ +0.7500 O2 = + 1.0000 Nd+++ + 1.5000 H2O - log_k 182.2233 - -delta_H -1116.29 kJ/mol # Calculated enthalpy of reaction Nd + Nd + 3 H+ + 0.75 O2 = Nd+3 + 1.5 H2O + log_k 182.2233 + -delta_H -1116.29 kJ/mol # Calculated enthalpy of reaction Nd # Enthalpy of formation: 0 kJ/mol - -analytic -2.7390e+002 -5.6545e-002 7.1502e+004 9.7969e+001 -8.2482e+005 + -analytic -2.739e+2 -5.6545e-2 7.1502e+4 9.7969e+1 -8.2482e+5 # -Range: 0-300 Nd(OH)3 - Nd(OH)3 +3.0000 H+ = + 1.0000 Nd+++ + 3.0000 H2O - log_k 18.0852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(OH)3 + Nd(OH)3 + 3 H+ = Nd+3 + 3 H2O + log_k 18.0852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(OH)3 # Enthalpy of formation: 0 kcal/mol Nd(OH)3(am) - Nd(OH)3 +3.0000 H+ = + 1.0000 Nd+++ + 3.0000 H2O - log_k 20.4852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(OH)3(am) + Nd(OH)3 + 3 H+ = Nd+3 + 3 H2O + log_k 20.4852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(OH)3(am) # Enthalpy of formation: 0 kcal/mol Nd(OH)3(c) - Nd(OH)3 +3.0000 H+ = + 1.0000 Nd+++ + 3.0000 H2O - log_k 15.7852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(OH)3(c) + Nd(OH)3 + 3 H+ = Nd+3 + 3 H2O + log_k 15.7852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(OH)3(c) # Enthalpy of formation: 0 kcal/mol Nd2(CO3)3 - Nd2(CO3)3 +3.0000 H+ = + 2.0000 Nd+++ + 3.0000 HCO3- - log_k -3.6636 - -delta_H 0 # Not possible to calculate enthalpy of reaction Nd2(CO3)3 + Nd2(CO3)3 + 3 H+ = 2 Nd+3 + 3 HCO3- + log_k -3.6636 + -delta_H 0 # Not possible to calculate enthalpy of reaction Nd2(CO3)3 # Enthalpy of formation: 0 kcal/mol Nd2O3 - Nd2O3 +6.0000 H+ = + 2.0000 Nd+++ + 3.0000 H2O - log_k 58.6000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Nd2O3 + Nd2O3 + 6 H+ = 2 Nd+3 + 3 H2O + log_k 58.6 + -delta_H 0 # Not possible to calculate enthalpy of reaction Nd2O3 # Enthalpy of formation: 0 kcal/mol NdF3:.5H2O - NdF3:.5H2O = + 0.5000 H2O + 1.0000 Nd+++ + 3.0000 F- - log_k -18.6000 - -delta_H 0 # Not possible to calculate enthalpy of reaction NdF3:.5H2O + NdF3:.5H2O = 0.5 H2O + Nd+3 + 3 F- + log_k -18.6 + -delta_H 0 # Not possible to calculate enthalpy of reaction NdF3:.5H2O # Enthalpy of formation: 0 kcal/mol NdOHCO3 - NdOHCO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 HCO3- + 1.0000 Nd+++ - log_k 2.8239 - -delta_H 0 # Not possible to calculate enthalpy of reaction NdOHCO3 + NdOHCO3 + 2 H+ = H2O + HCO3- + Nd+3 + log_k 2.8239 + -delta_H 0 # Not possible to calculate enthalpy of reaction NdOHCO3 # Enthalpy of formation: 0 kcal/mol NdPO4:10H2O - NdPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 Nd+++ + 10.0000 H2O - log_k -12.1782 - -delta_H 0 # Not possible to calculate enthalpy of reaction NdPO4:10H2O + NdPO4:10H2O + H+ = HPO4-2 + Nd+3 + 10 H2O + log_k -12.1782 + -delta_H 0 # Not possible to calculate enthalpy of reaction NdPO4:10H2O # Enthalpy of formation: 0 kcal/mol Nepheline - NaAlSiO4 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 Na+ + 1.0000 SiO2 + 2.0000 H2O - log_k 13.8006 - -delta_H -135.068 kJ/mol # Calculated enthalpy of reaction Nepheline + NaAlSiO4 + 4 H+ = Al+3 + Na+ + SiO2 + 2 H2O + log_k 13.8006 + -delta_H -135.068 kJ/mol # Calculated enthalpy of reaction Nepheline # Enthalpy of formation: -500.241 kcal/mol - -analytic -2.4856e+001 -8.8171e-003 8.5653e+003 6.0904e+000 -2.2786e+005 + -analytic -2.4856e+1 -8.8171e-3 8.5653e+3 6.0904e+0 -2.2786e+5 # -Range: 0-300 Nesquehonite - MgCO3:3H2O +1.0000 H+ = + 1.0000 HCO3- + 1.0000 Mg++ + 3.0000 H2O - log_k 4.9955 - -delta_H -36.1498 kJ/mol # Calculated enthalpy of reaction Nesquehonite + MgCO3:3H2O + H+ = HCO3- + Mg+2 + 3 H2O + log_k 4.9955 + -delta_H -36.1498 kJ/mol # Calculated enthalpy of reaction Nesquehonite # Enthalpy of formation: -472.576 kcal/mol - -analytic 1.3771e+002 -6.0397e-002 -3.5049e+004 -1.8831e+001 4.4213e+006 + -analytic 1.3771e+2 -6.0397e-2 -3.5049e+4 -1.8831e+1 4.4213e+6 # -Range: 0-300 Ni - Ni +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Ni++ - log_k 50.9914 - -delta_H -333.745 kJ/mol # Calculated enthalpy of reaction Ni + Ni + 2 H+ + 0.5 O2 = H2O + Ni+2 + log_k 50.9914 + -delta_H -333.745 kJ/mol # Calculated enthalpy of reaction Ni # Enthalpy of formation: 0 kcal/mol - -analytic -5.8308e+001 -2.0133e-002 1.8444e+004 2.1590e+001 2.8781e+002 + -analytic -5.8308e+1 -2.0133e-2 1.8444e+4 2.159e+1 2.8781e+2 # -Range: 0-300 Ni(OH)2 - Ni(OH)2 +2.0000 H+ = + 1.0000 Ni++ + 2.0000 H2O - log_k 12.7485 - -delta_H -95.6523 kJ/mol # Calculated enthalpy of reaction Ni(OH)2 + Ni(OH)2 + 2 H+ = Ni+2 + 2 H2O + log_k 12.7485 + -delta_H -95.6523 kJ/mol # Calculated enthalpy of reaction Ni(OH)2 # Enthalpy of formation: -529.998 kJ/mol - -analytic -6.5279e+001 -5.9499e-003 7.3471e+003 2.2290e+001 1.2479e+002 + -analytic -6.5279e+1 -5.9499e-3 7.3471e+3 2.229e+1 1.2479e+2 # -Range: 0-200 Ni2P2O7 - Ni2P2O7 +1.0000 H2O = + 2.0000 HPO4-- + 2.0000 Ni++ - log_k -8.8991 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ni2P2O7 + Ni2P2O7 + H2O = 2 HPO4-2 + 2 Ni+2 + log_k -8.8991 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ni2P2O7 # Enthalpy of formation: 0 kcal/mol Ni2SiO4 - Ni2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Ni++ - log_k 14.3416 - -delta_H -127.629 kJ/mol # Calculated enthalpy of reaction Ni2SiO4 + Ni2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Ni+2 + log_k 14.3416 + -delta_H -127.629 kJ/mol # Calculated enthalpy of reaction Ni2SiO4 # Enthalpy of formation: -341.705 kcal/mol - -analytic -4.0414e+001 -1.1194e-002 9.6515e+003 1.2026e+001 -3.6336e+005 + -analytic -4.0414e+1 -1.1194e-2 9.6515e+3 1.2026e+1 -3.6336e+5 # -Range: 0-300 Ni3(PO4)2 - Ni3(PO4)2 +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Ni++ - log_k -6.6414 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ni3(PO4)2 + Ni3(PO4)2 + 2 H+ = 2 HPO4-2 + 3 Ni+2 + log_k -6.6414 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ni3(PO4)2 # Enthalpy of formation: 0 kcal/mol NiCO3 - NiCO3 +1.0000 H+ = + 1.0000 HCO3- + 1.0000 Ni++ - log_k 3.5118 - -delta_H 0 # Not possible to calculate enthalpy of reaction NiCO3 + NiCO3 + H+ = HCO3- + Ni+2 + log_k 3.5118 + -delta_H 0 # Not possible to calculate enthalpy of reaction NiCO3 # Enthalpy of formation: 0 kcal/mol NiCl2 - NiCl2 = + 1.0000 Ni++ + 2.0000 Cl- - log_k 8.6113 - -delta_H -82.7969 kJ/mol # Calculated enthalpy of reaction NiCl2 + NiCl2 = Ni+2 + 2 Cl- + log_k 8.6113 + -delta_H -82.7969 kJ/mol # Calculated enthalpy of reaction NiCl2 # Enthalpy of formation: -305.336 kJ/mol - -analytic -1.2416e+000 -2.3139e-002 2.6529e+003 3.1696e+000 4.5052e+001 + -analytic -1.2416e+0 -2.3139e-2 2.6529e+3 3.1696e+0 4.5052e+1 # -Range: 0-200 NiCl2:2H2O - NiCl2:2H2O = + 1.0000 Ni++ + 2.0000 Cl- + 2.0000 H2O - log_k 3.9327 - -delta_H -37.6746 kJ/mol # Calculated enthalpy of reaction NiCl2:2H2O + NiCl2:2H2O = Ni+2 + 2 Cl- + 2 H2O + log_k 3.9327 + -delta_H -37.6746 kJ/mol # Calculated enthalpy of reaction NiCl2:2H2O # Enthalpy of formation: -922.135 kJ/mol - -analytic -4.8814e+001 -2.2602e-002 2.5951e+003 2.0518e+001 4.4086e+001 + -analytic -4.8814e+1 -2.2602e-2 2.5951e+3 2.0518e+1 4.4086e+1 # -Range: 0-200 NiCl2:4H2O - NiCl2:4H2O = + 1.0000 Ni++ + 2.0000 Cl- + 4.0000 H2O - log_k 3.8561 - -delta_H -15.4373 kJ/mol # Calculated enthalpy of reaction NiCl2:4H2O + NiCl2:4H2O = Ni+2 + 2 Cl- + 4 H2O + log_k 3.8561 + -delta_H -15.4373 kJ/mol # Calculated enthalpy of reaction NiCl2:4H2O # Enthalpy of formation: -1516.05 kJ/mol - -analytic -1.0545e+002 -2.4691e-002 3.9978e+003 4.1727e+001 6.7926e+001 + -analytic -1.0545e+2 -2.4691e-2 3.9978e+3 4.1727e+1 6.7926e+1 # -Range: 0-200 NiF2 - NiF2 = + 1.0000 Ni++ + 2.0000 F- - log_k 0.8772 - -delta_H -73.1438 kJ/mol # Calculated enthalpy of reaction NiF2 + NiF2 = Ni+2 + 2 F- + log_k 0.8772 + -delta_H -73.1438 kJ/mol # Calculated enthalpy of reaction NiF2 # Enthalpy of formation: -651.525 kJ/mol - -analytic -2.5291e+002 -8.4179e-002 9.3429e+003 1.0002e+002 1.4586e+002 + -analytic -2.5291e+2 -8.4179e-2 9.3429e+3 1.0002e+2 1.4586e+2 # -Range: 0-300 NiF2:4H2O - NiF2:4H2O = + 1.0000 Ni++ + 2.0000 F- + 4.0000 H2O - log_k -4.0588 - -delta_H 0 # Not possible to calculate enthalpy of reaction NiF2:4H2O + NiF2:4H2O = Ni+2 + 2 F- + 4 H2O + log_k -4.0588 + -delta_H 0 # Not possible to calculate enthalpy of reaction NiF2:4H2O # Enthalpy of formation: 0 kcal/mol NiSO4 - NiSO4 = + 1.0000 Ni++ + 1.0000 SO4-- - log_k 5.3197 - -delta_H -90.5092 kJ/mol # Calculated enthalpy of reaction NiSO4 + NiSO4 = Ni+2 + SO4-2 + log_k 5.3197 + -delta_H -90.5092 kJ/mol # Calculated enthalpy of reaction NiSO4 # Enthalpy of formation: -873.066 kJ/mol - -analytic -1.8878e+002 -7.6403e-002 7.9412e+003 7.6866e+001 1.2397e+002 + -analytic -1.8878e+2 -7.6403e-2 7.9412e+3 7.6866e+1 1.2397e+2 # -Range: 0-300 NiSO4:6H2O(alpha) - NiSO4:6H2O = + 1.0000 Ni++ + 1.0000 SO4-- + 6.0000 H2O - log_k -2.0072 - -delta_H 4.37983 kJ/mol # Calculated enthalpy of reaction NiSO4:6H2O(alpha) + NiSO4:6H2O = Ni+2 + SO4-2 + 6 H2O + log_k -2.0072 + -delta_H 4.37983 kJ/mol # Calculated enthalpy of reaction NiSO4:6H2O(alpha) # Enthalpy of formation: -2682.99 kJ/mol - -analytic -1.1937e+002 -1.3785e-002 4.1543e+003 4.3454e+001 7.0587e+001 + -analytic -1.1937e+2 -1.3785e-2 4.1543e+3 4.3454e+1 7.0587e+1 # -Range: 0-200 Nickelbischofite - NiCl2:6H2O = + 1.0000 Ni++ + 2.0000 Cl- + 6.0000 H2O - log_k 3.1681 - -delta_H 0.064088 kJ/mol # Calculated enthalpy of reaction Nickelbischofite + NiCl2:6H2O = Ni+2 + 2 Cl- + 6 H2O + log_k 3.1681 + -delta_H 0.064088 kJ/mol # Calculated enthalpy of reaction Nickelbischofite # Enthalpy of formation: -2103.23 kJ/mol - -analytic -1.4340e+002 -2.1257e-002 5.1858e+003 5.4759e+001 8.8112e+001 + -analytic -1.434e+2 -2.1257e-2 5.1858e+3 5.4759e+1 8.8112e+1 # -Range: 0-200 Ningyoite - CaUP2O8:2H2O +2.0000 H+ = + 1.0000 Ca++ + 1.0000 U++++ + 2.0000 H2O + 2.0000 HPO4-- - log_k -29.7931 - -delta_H -36.4769 kJ/mol # Calculated enthalpy of reaction Ningyoite + CaUP2O8:2H2O + 2 H+ = Ca+2 + U+4 + 2 H2O + 2 HPO4-2 + log_k -29.7931 + -delta_H -36.4769 kJ/mol # Calculated enthalpy of reaction Ningyoite # Enthalpy of formation: -1016.65 kcal/mol - -analytic -1.0274e+002 -4.9041e-002 1.7779e+003 3.2973e+001 3.0227e+001 + -analytic -1.0274e+2 -4.9041e-2 1.7779e+3 3.2973e+1 3.0227e+1 # -Range: 0-200 Niter - KNO3 = + 1.0000 K+ + 1.0000 NO3- - log_k -0.2061 - -delta_H 35.4794 kJ/mol # Calculated enthalpy of reaction Niter + KNO3 = K+ + NO3- + log_k -0.2061 + -delta_H 35.4794 kJ/mol # Calculated enthalpy of reaction Niter # Enthalpy of formation: -494.46 kJ/mol - -analytic -6.5607e+001 -2.8165e-002 -4.0131e+002 3.0361e+001 -6.2425e+000 + -analytic -6.5607e+1 -2.8165e-2 -4.0131e+2 3.0361e+1 -6.2425e+0 # -Range: 0-300 Nitrobarite - Ba(NO3)2 = + 1.0000 Ba++ + 2.0000 NO3- - log_k -2.4523 - -delta_H 40.8161 kJ/mol # Calculated enthalpy of reaction Nitrobarite + Ba(NO3)2 = Ba+2 + 2 NO3- + log_k -2.4523 + -delta_H 40.8161 kJ/mol # Calculated enthalpy of reaction Nitrobarite # Enthalpy of formation: -992.082 kJ/mol - -analytic -1.6179e+002 -6.5831e-002 1.2142e+003 7.0664e+001 1.8995e+001 + -analytic -1.6179e+2 -6.5831e-2 1.2142e+3 7.0664e+1 1.8995e+1 # -Range: 0-300 Nontronite-Ca - Ca.165Fe2Al.33Si3.67H2O12 +7.3200 H+ = + 0.1650 Ca++ + 0.3300 Al+++ + 2.0000 Fe+++ + 3.6700 SiO2 + 4.6600 H2O - log_k -11.5822 - -delta_H -38.138 kJ/mol # Calculated enthalpy of reaction Nontronite-Ca + Ca.165Fe2Al.33Si3.67H2O12 + 7.32 H+ = 0.165 Ca+2 + 0.33 Al+3 + 2 Fe+3 + 3.67 SiO2 + 4.66 H2O + log_k -11.5822 + -delta_H -38.138 kJ/mol # Calculated enthalpy of reaction Nontronite-Ca # Enthalpy of formation: -1166.7 kcal/mol - -analytic 1.6291e+001 4.3557e-003 1.0221e+004 -1.8690e+001 -1.5427e+006 + -analytic 1.6291e+1 4.3557e-3 1.0221e+4 -1.869e+1 -1.5427e+6 # -Range: 0-300 Nontronite-Cs - Cs.33Si4Fe1.67Mg.33H2O12 +6.0000 H+ = + 0.3300 Cs+ + 0.3300 Mg++ + 1.6700 Fe+++ + 4.0000 H2O + 4.0000 SiO2 - log_k 5.7975 - -delta_H -86.6996 kJ/mol # Calculated enthalpy of reaction Nontronite-Cs + Cs.33Si4Fe1.67Mg.33H2O12 + 6 H+ = 0.33 Cs+ + 0.33 Mg+2 + 1.67 Fe+3 + 4 H2O + 4 SiO2 + log_k 5.7975 + -delta_H -86.6996 kJ/mol # Calculated enthalpy of reaction Nontronite-Cs # Enthalpy of formation: -1168.54 kcal/mol - -analytic -1.1646e+001 1.0033e-002 1.7668e+004 -9.0129e+000 -2.0143e+006 + -analytic -1.1646e+1 1.0033e-2 1.7668e+4 -9.0129e+0 -2.0143e+6 # -Range: 0-300 Nontronite-H - H.33Fe2Al.33Si3.67H2O12 +6.9900 H+ = + 0.3300 Al+++ + 2.0000 Fe+++ + 3.6700 SiO2 + 4.6600 H2O - log_k -12.5401 - -delta_H -30.452 kJ/mol # Calculated enthalpy of reaction Nontronite-H + H.33Fe2Al.33Si3.67H2O12 + 6.99 H+ = 0.33 Al+3 + 2 Fe+3 + 3.67 SiO2 + 4.66 H2O + log_k -12.5401 + -delta_H -30.452 kJ/mol # Calculated enthalpy of reaction Nontronite-H # Enthalpy of formation: -1147.12 kcal/mol - -analytic 9.7794e+001 1.4055e-002 4.7440e+003 -4.7272e+001 -1.2103e+006 + -analytic 9.7794e+1 1.4055e-2 4.744e+3 -4.7272e+1 -1.2103e+6 # -Range: 0-300 Nontronite-K - K.33Fe2Al.33Si3.67H2O12 +7.3200 H+ = + 0.3300 Al+++ + 0.3300 K+ + 2.0000 Fe+++ + 3.6700 SiO2 + 4.6600 H2O - log_k -11.8648 - -delta_H -26.5822 kJ/mol # Calculated enthalpy of reaction Nontronite-K + K.33Fe2Al.33Si3.67H2O12 + 7.32 H+ = 0.33 Al+3 + 0.33 K+ + 2 Fe+3 + 3.67 SiO2 + 4.66 H2O + log_k -11.8648 + -delta_H -26.5822 kJ/mol # Calculated enthalpy of reaction Nontronite-K # Enthalpy of formation: -1167.93 kcal/mol - -analytic 1.3630e+001 4.7708e-003 1.0073e+004 -1.7407e+001 -1.5803e+006 + -analytic 1.363e+1 4.7708e-3 1.0073e+4 -1.7407e+1 -1.5803e+6 # -Range: 0-300 Nontronite-Mg - Mg.165Fe2Al.33Si3.67H2O12 +7.3200 H+ = + 0.1650 Mg++ + 0.3300 Al+++ + 2.0000 Fe+++ + 3.6700 SiO2 + 4.6600 H2O - log_k -11.6200 - -delta_H -41.1779 kJ/mol # Calculated enthalpy of reaction Nontronite-Mg + Mg.165Fe2Al.33Si3.67H2O12 + 7.32 H+ = 0.165 Mg+2 + 0.33 Al+3 + 2 Fe+3 + 3.67 SiO2 + 4.66 H2O + log_k -11.62 + -delta_H -41.1779 kJ/mol # Calculated enthalpy of reaction Nontronite-Mg # Enthalpy of formation: -1162.93 kcal/mol - -analytic 5.5961e+001 1.0139e-002 8.0777e+003 -3.3164e+001 -1.4031e+006 + -analytic 5.5961e+1 1.0139e-2 8.0777e+3 -3.3164e+1 -1.4031e+6 # -Range: 0-300 Nontronite-Na - Na.33Fe2Al.33Si3.67H2O12 +7.3200 H+ = + 0.3300 Al+++ + 0.3300 Na+ + 2.0000 Fe+++ + 3.6700 SiO2 + 4.6600 H2O - log_k -11.5263 - -delta_H -31.5687 kJ/mol # Calculated enthalpy of reaction Nontronite-Na + Na.33Fe2Al.33Si3.67H2O12 + 7.32 H+ = 0.33 Al+3 + 0.33 Na+ + 2 Fe+3 + 3.67 SiO2 + 4.66 H2O + log_k -11.5263 + -delta_H -31.5687 kJ/mol # Calculated enthalpy of reaction Nontronite-Na # Enthalpy of formation: -1165.8 kcal/mol - -analytic 6.7915e+001 1.2851e-002 7.1218e+003 -3.7112e+001 -1.3758e+006 + -analytic 6.7915e+1 1.2851e-2 7.1218e+3 -3.7112e+1 -1.3758e+6 # -Range: 0-300 Np - Np +4.0000 H+ +1.0000 O2 = + 1.0000 Np++++ + 2.0000 H2O - log_k 174.1077 - -delta_H -1115.54 kJ/mol # Calculated enthalpy of reaction Np + Np + 4 H+ + O2 = Np+4 + 2 H2O + log_k 174.1077 + -delta_H -1115.54 kJ/mol # Calculated enthalpy of reaction Np # Enthalpy of formation: 0 kJ/mol - -analytic -3.2136e+001 -1.4340e-002 5.7853e+004 6.6512e+000 9.0275e+002 + -analytic -3.2136e+1 -1.434e-2 5.7853e+4 6.6512e+0 9.0275e+2 # -Range: 0-300 Np(HPO4)2 - Np(HPO4)2 = + 1.0000 Np++++ + 2.0000 HPO4-- - log_k -30.9786 - -delta_H -18.6219 kJ/mol # Calculated enthalpy of reaction Np(HPO4)2 + Np(HPO4)2 = Np+4 + 2 HPO4-2 + log_k -30.9786 + -delta_H -18.6219 kJ/mol # Calculated enthalpy of reaction Np(HPO4)2 # Enthalpy of formation: -3121.54 kJ/mol - -analytic -3.6627e+002 -1.3955e-001 7.1370e+003 1.4261e+002 1.1147e+002 + -analytic -3.6627e+2 -1.3955e-1 7.137e+3 1.4261e+2 1.1147e+2 # -Range: 0-300 Np(OH)4 - Np(OH)4 +4.0000 H+ = + 1.0000 Np++++ + 4.0000 H2O - log_k 0.8103 - -delta_H -78.4963 kJ/mol # Calculated enthalpy of reaction Np(OH)4 + Np(OH)4 + 4 H+ = Np+4 + 4 H2O + log_k 0.8103 + -delta_H -78.4963 kJ/mol # Calculated enthalpy of reaction Np(OH)4 # Enthalpy of formation: -1620.86 kJ/mol - -analytic -9.5122e+001 -1.0532e-002 7.1132e+003 3.0398e+001 1.1102e+002 + -analytic -9.5122e+1 -1.0532e-2 7.1132e+3 3.0398e+1 1.1102e+2 # -Range: 0-300 Np2O5 - Np2O5 +2.0000 H+ = + 1.0000 H2O + 2.0000 NpO2+ - log_k 9.5000 - -delta_H -94.4576 kJ/mol # Calculated enthalpy of reaction Np2O5 + Np2O5 + 2 H+ = H2O + 2 NpO2+ + log_k 9.5 + -delta_H -94.4576 kJ/mol # Calculated enthalpy of reaction Np2O5 # Enthalpy of formation: -513.232 kcal/mol - -analytic 5.9974e+003 1.4553e+000 -1.7396e+005 -2.3595e+003 -2.9689e+003 + -analytic 5.9974e+3 1.4553e+0 -1.7396e+5 -2.3595e+3 -2.9689e+3 # -Range: 25-150 NpO2 - NpO2 +4.0000 H+ = + 1.0000 Np++++ + 2.0000 H2O - log_k -7.8026 - -delta_H -53.6087 kJ/mol # Calculated enthalpy of reaction NpO2 + NpO2 + 4 H+ = Np+4 + 2 H2O + log_k -7.8026 + -delta_H -53.6087 kJ/mol # Calculated enthalpy of reaction NpO2 # Enthalpy of formation: -1074.07 kJ/mol - -analytic -7.0053e+001 -1.1017e-002 4.4742e+003 2.0421e+001 6.9836e+001 + -analytic -7.0053e+1 -1.1017e-2 4.4742e+3 2.0421e+1 6.9836e+1 # -Range: 0-300 NpO2(OH)2 - NpO2(OH)2 +2.0000 H+ = + 1.0000 NpO2++ + 2.0000 H2O - log_k 5.9851 - -delta_H -54.9977 kJ/mol # Calculated enthalpy of reaction NpO2(OH)2 + NpO2(OH)2 + 2 H+ = NpO2+2 + 2 H2O + log_k 5.9851 + -delta_H -54.9977 kJ/mol # Calculated enthalpy of reaction NpO2(OH)2 # Enthalpy of formation: -1377.16 kJ/mol - -analytic -2.7351e+001 -1.5987e-003 3.8301e+003 8.4735e+000 5.9773e+001 + -analytic -2.7351e+1 -1.5987e-3 3.8301e+3 8.4735e+0 5.9773e+1 # -Range: 0-300 NpO2OH(am) - NpO2OH +1.0000 H+ = + 1.0000 H2O + 1.0000 NpO2+ - log_k 4.2364 - -delta_H -39.6673 kJ/mol # Calculated enthalpy of reaction NpO2OH(am) + NpO2OH + H+ = H2O + NpO2+ + log_k 4.2364 + -delta_H -39.6673 kJ/mol # Calculated enthalpy of reaction NpO2OH(am) # Enthalpy of formation: -1224.16 kJ/mol - -analytic -3.8824e+000 6.7122e-003 2.5390e+003 -9.7040e-001 3.9619e+001 + -analytic -3.8824e+0 6.7122e-3 2.539e+3 -9.704e-1 3.9619e+1 # -Range: 0-300 Okenite - CaSi2O4(OH)2:H2O +2.0000 H+ = + 1.0000 Ca++ + 2.0000 SiO2 + 3.0000 H2O - log_k 10.3816 - -delta_H -19.4974 kJ/mol # Calculated enthalpy of reaction Okenite + CaSi2O4(OH)2:H2O + 2 H+ = Ca+2 + 2 SiO2 + 3 H2O + log_k 10.3816 + -delta_H -19.4974 kJ/mol # Calculated enthalpy of reaction Okenite # Enthalpy of formation: -749.641 kcal/mol - -analytic -7.7353e+001 1.5091e-002 1.3023e+004 2.1337e+001 -1.1831e+006 + -analytic -7.7353e+1 1.5091e-2 1.3023e+4 2.1337e+1 -1.1831e+6 # -Range: 0-300 Orpiment - As2S3 +6.0000 H2O = + 2.0000 H2AsO3- + 3.0000 HS- + 5.0000 H+ - log_k -79.4159 - -delta_H 406.539 kJ/mol # Calculated enthalpy of reaction Orpiment + As2S3 + 6 H2O = 2 H2AsO3- + 3 HS- + 5 H+ + log_k -79.4159 + -delta_H 406.539 kJ/mol # Calculated enthalpy of reaction Orpiment # Enthalpy of formation: -169.423 kJ/mol - -analytic -3.3964e+002 -1.4977e-001 -1.5711e+004 1.4448e+002 -2.4505e+002 + -analytic -3.3964e+2 -1.4977e-1 -1.5711e+4 1.4448e+2 -2.4505e+2 # -Range: 0-300 Otavite - CdCO3 +1.0000 H+ = + 1.0000 Cd++ + 1.0000 HCO3- - log_k -1.7712 - -delta_H 0 # Not possible to calculate enthalpy of reaction Otavite + CdCO3 + H+ = Cd+2 + HCO3- + log_k -1.7712 + -delta_H 0 # Not possible to calculate enthalpy of reaction Otavite # Enthalpy of formation: 0 kcal/mol Ottemannite - Sn2S3 +3.0000 H+ = + 1.0000 Sn++ + 1.0000 Sn++++ + 3.0000 HS- - log_k -46.2679 - -delta_H 236.727 kJ/mol # Calculated enthalpy of reaction Ottemannite + Sn2S3 + 3 H+ = Sn+2 + Sn+4 + 3 HS- + log_k -46.2679 + -delta_H 236.727 kJ/mol # Calculated enthalpy of reaction Ottemannite # Enthalpy of formation: -63 kcal/mol - -analytic -6.2863e+001 -5.9171e-002 -1.3469e+004 3.2092e+001 -2.2870e+002 + -analytic -6.2863e+1 -5.9171e-2 -1.3469e+4 3.2092e+1 -2.287e+2 # -Range: 0-200 Oxychloride-Mg - Mg2Cl(OH)3:4H2O +3.0000 H+ = + 1.0000 Cl- + 2.0000 Mg++ + 7.0000 H2O - log_k 25.8319 - -delta_H 0 # Not possible to calculate enthalpy of reaction Oxychloride-Mg + Mg2Cl(OH)3:4H2O + 3 H+ = Cl- + 2 Mg+2 + 7 H2O + log_k 25.8319 + -delta_H 0 # Not possible to calculate enthalpy of reaction Oxychloride-Mg # Enthalpy of formation: 0 kcal/mol P - P +1.5000 H2O +1.2500 O2 = + 1.0000 HPO4-- + 2.0000 H+ - log_k 132.1032 - -delta_H -848.157 kJ/mol # Calculated enthalpy of reaction P + P + 1.5 H2O + 1.25 O2 = HPO4-2 + 2 H+ + log_k 132.1032 + -delta_H -848.157 kJ/mol # Calculated enthalpy of reaction P # Enthalpy of formation: 0 kJ/mol - -analytic -9.2727e+001 -6.8342e-002 4.3465e+004 4.0156e+001 6.7826e+002 + -analytic -9.2727e+1 -6.8342e-2 4.3465e+4 4.0156e+1 6.7826e+2 # -Range: 0-300 Paragonite - NaAl3Si3O10(OH)2 +10.0000 H+ = + 1.0000 Na+ + 3.0000 Al+++ + 3.0000 SiO2 + 6.0000 H2O - log_k 17.5220 - -delta_H -275.056 kJ/mol # Calculated enthalpy of reaction Paragonite + NaAl3Si3O10(OH)2 + 10 H+ = Na+ + 3 Al+3 + 3 SiO2 + 6 H2O + log_k 17.522 + -delta_H -275.056 kJ/mol # Calculated enthalpy of reaction Paragonite # Enthalpy of formation: -1416.96 kcal/mol - -analytic 3.5507e+001 -1.0720e-002 1.3519e+004 -2.2283e+001 -4.5657e+005 + -analytic 3.5507e+1 -1.072e-2 1.3519e+4 -2.2283e+1 -4.5657e+5 # -Range: 0-300 Paralaurionite - PbClOH +1.0000 H+ = + 1.0000 Cl- + 1.0000 H2O + 1.0000 Pb++ - log_k 0.2035 - -delta_H 8.41948 kJ/mol # Calculated enthalpy of reaction Paralaurionite + PbClOH + H+ = Cl- + H2O + Pb+2 + log_k 0.2035 + -delta_H 8.41948 kJ/mol # Calculated enthalpy of reaction Paralaurionite # Enthalpy of formation: -460.417 kJ/mol - -analytic -1.1245e+001 -1.0520e-002 -5.3551e+002 6.6175e+000 -9.0896e+000 + -analytic -1.1245e+1 -1.052e-2 -5.3551e+2 6.6175e+0 -9.0896e+0 # -Range: 0-200 Pargasite - NaCa2Al3Mg4Si6O22(OH)2 +22.0000 H+ = + 1.0000 Na+ + 2.0000 Ca++ + 3.0000 Al+++ + 4.0000 Mg++ + 6.0000 SiO2 + 12.0000 H2O - log_k 101.9939 - -delta_H -880.205 kJ/mol # Calculated enthalpy of reaction Pargasite + NaCa2Al3Mg4Si6O22(OH)2 + 22 H+ = Na+ + 2 Ca+2 + 3 Al+3 + 4 Mg+2 + 6 SiO2 + 12 H2O + log_k 101.9939 + -delta_H -880.205 kJ/mol # Calculated enthalpy of reaction Pargasite # Enthalpy of formation: -3016.62 kcal/mol - -analytic -6.7889e+001 -3.7817e-002 5.0493e+004 9.2705e+000 -1.0163e+006 + -analytic -6.7889e+1 -3.7817e-2 5.0493e+4 9.2705e+0 -1.0163e+6 # -Range: 0-300 Parsonsite - Pb2UO2(PO4)2:2H2O +2.0000 H+ = + 1.0000 UO2++ + 2.0000 H2O + 2.0000 HPO4-- + 2.0000 Pb++ - log_k -27.7911 - -delta_H 0 # Not possible to calculate enthalpy of reaction Parsonsite + Pb2UO2(PO4)2:2H2O + 2 H+ = UO2+2 + 2 H2O + 2 HPO4-2 + 2 Pb+2 + log_k -27.7911 + -delta_H 0 # Not possible to calculate enthalpy of reaction Parsonsite # Enthalpy of formation: 0 kcal/mol Pb - Pb +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Pb++ - log_k 47.1871 - -delta_H -278.851 kJ/mol # Calculated enthalpy of reaction Pb + Pb + 2 H+ + 0.5 O2 = H2O + Pb+2 + log_k 47.1871 + -delta_H -278.851 kJ/mol # Calculated enthalpy of reaction Pb # Enthalpy of formation: 0 kJ/mol - -analytic -3.1784e+001 -1.4816e-002 1.4984e+004 1.3383e+001 2.3381e+002 + -analytic -3.1784e+1 -1.4816e-2 1.4984e+4 1.3383e+1 2.3381e+2 # -Range: 0-300 Pb(H2PO4)2 - Pb(H2PO4)2 = + 1.0000 Pb++ + 2.0000 H+ + 2.0000 HPO4-- - log_k -9.8400 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(H2PO4)2 + Pb(H2PO4)2 = Pb+2 + 2 H+ + 2 HPO4-2 + log_k -9.84 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(H2PO4)2 # Enthalpy of formation: 0 kcal/mol Pb(IO3)2 - Pb(IO3)2 = + 1.0000 Pb++ + 2.0000 IO3- - log_k -12.5173 - -delta_H 53.7783 kJ/mol # Calculated enthalpy of reaction Pb(IO3)2 + Pb(IO3)2 = Pb+2 + 2 IO3- + log_k -12.5173 + -delta_H 53.7783 kJ/mol # Calculated enthalpy of reaction Pb(IO3)2 # Enthalpy of formation: -495.525 kJ/mol - -analytic -5.3573e+000 -1.4164e-002 -3.6236e+003 3.7209e+000 -6.1532e+001 + -analytic -5.3573e+0 -1.4164e-2 -3.6236e+3 3.7209e+0 -6.1532e+1 # -Range: 0-200 Pb(N3)2(mono) - Pb(N3)2 = + 1.0000 Pb++ + 2.0000 N3- - log_k -8.3583 - -delta_H 72.9495 kJ/mol # Calculated enthalpy of reaction Pb(N3)2(mono) + Pb(N3)2 = Pb+2 + 2 N3- + log_k -8.3583 + -delta_H 72.9495 kJ/mol # Calculated enthalpy of reaction Pb(N3)2(mono) # Enthalpy of formation: 478.251 kJ/mol - -analytic 6.0051e+001 -1.1168e-002 -7.0041e+003 -1.6812e+001 -1.1896e+002 + -analytic 6.0051e+1 -1.1168e-2 -7.0041e+3 -1.6812e+1 -1.1896e+2 # -Range: 0-200 Pb(N3)2(orth) - Pb(N3)2 = + 1.0000 Pb++ + 2.0000 N3- - log_k -8.7963 - -delta_H 75.0615 kJ/mol # Calculated enthalpy of reaction Pb(N3)2(orth) + Pb(N3)2 = Pb+2 + 2 N3- + log_k -8.7963 + -delta_H 75.0615 kJ/mol # Calculated enthalpy of reaction Pb(N3)2(orth) # Enthalpy of formation: 476.139 kJ/mol - -analytic 5.9779e+001 -1.1215e-002 -7.1081e+003 -1.6732e+001 -1.2073e+002 + -analytic 5.9779e+1 -1.1215e-2 -7.1081e+3 -1.6732e+1 -1.2073e+2 # -Range: 0-200 Pb(Thiocyanate)2 - Pb(Thiocyanate)2 = + 1.0000 Pb++ + 2.0000 Thiocyanate- - log_k -0.0910 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(Thiocyanate)2 + Pb(Thiocyanate)2 = Pb+2 + 2 Thiocyanate- + log_k -0.091 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(Thiocyanate)2 # Enthalpy of formation: 151.212 kJ/mol - -analytic 7.4247e+000 -1.6226e-002 0.0000e+000 0.0000e+000 -2.3938e+005 + -analytic 7.4247e+0 -1.6226e-2 0e+0 0e+0 -2.3938e+5 # -Range: 0-200 Pb2Cl2CO3 - Pb2Cl2CO3 +1.0000 H+ = + 1.0000 HCO3- + 2.0000 Cl- + 2.0000 Pb++ - log_k -9.6180 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pb2Cl2CO3 + Pb2Cl2CO3 + H+ = HCO3- + 2 Cl- + 2 Pb+2 + log_k -9.618 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pb2Cl2CO3 # Enthalpy of formation: 0 kcal/mol Pb2Cl5NH4 - Pb2Cl5NH4 = + 1.0000 H+ + 1.0000 NH3 + 2.0000 Pb++ + 5.0000 Cl- - log_k -19.6100 - -delta_H 119.617 kJ/mol # Calculated enthalpy of reaction Pb2Cl5NH4 + Pb2Cl5NH4 = H+ + NH3 + 2 Pb+2 + 5 Cl- + log_k -19.61 + -delta_H 119.617 kJ/mol # Calculated enthalpy of reaction Pb2Cl5NH4 # Enthalpy of formation: -1034.51 kJ/mol - -analytic 1.3149e+001 -4.8598e-002 -9.8473e+003 5.9552e+000 -1.6723e+002 + -analytic 1.3149e+1 -4.8598e-2 -9.8473e+3 5.9552e+0 -1.6723e+2 # -Range: 0-200 Pb2O(N3)2 - Pb2O(N3)2 +2.0000 H+ = + 1.0000 H2O + 2.0000 N3- + 2.0000 Pb++ - log_k -13.7066 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pb2O(N3)2 + Pb2O(N3)2 + 2 H+ = H2O + 2 N3- + 2 Pb+2 + log_k -13.7066 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pb2O(N3)2 # Enthalpy of formation: 0 kcal/mol Pb2SiO4 - Pb2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Pb++ - log_k 18.0370 - -delta_H -83.9883 kJ/mol # Calculated enthalpy of reaction Pb2SiO4 + Pb2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Pb+2 + log_k 18.037 + -delta_H -83.9883 kJ/mol # Calculated enthalpy of reaction Pb2SiO4 # Enthalpy of formation: -1363.55 kJ/mol - -analytic 2.7287e+002 6.3875e-002 -3.7001e+003 -1.0568e+002 -6.2927e+001 + -analytic 2.7287e+2 6.3875e-2 -3.7001e+3 -1.0568e+2 -6.2927e+1 # -Range: 0-200 Pb3(PO4)2 - Pb3(PO4)2 +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Pb++ - log_k -19.9744 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pb3(PO4)2 + Pb3(PO4)2 + 2 H+ = 2 HPO4-2 + 3 Pb+2 + log_k -19.9744 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pb3(PO4)2 # Enthalpy of formation: 0 kcal/mol Pb3SO6 - Pb3SO6 +4.0000 H+ = + 1.0000 SO4-- + 2.0000 H2O + 3.0000 Pb++ - log_k 10.5981 - -delta_H -79.3438 kJ/mol # Calculated enthalpy of reaction Pb3SO6 + Pb3SO6 + 4 H+ = SO4-2 + 2 H2O + 3 Pb+2 + log_k 10.5981 + -delta_H -79.3438 kJ/mol # Calculated enthalpy of reaction Pb3SO6 # Enthalpy of formation: -1399.17 kJ/mol - -analytic -5.3308e+000 -1.8639e-002 3.0245e+003 4.5760e+000 5.1362e+001 + -analytic -5.3308e+0 -1.8639e-2 3.0245e+3 4.576e+0 5.1362e+1 # -Range: 0-200 Pb4Cl2(OH)6 - Pb4Cl2(OH)6 +6.0000 H+ = + 2.0000 Cl- + 4.0000 Pb++ + 6.0000 H2O - log_k 17.2793 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pb4Cl2(OH)6 + Pb4Cl2(OH)6 + 6 H+ = 2 Cl- + 4 Pb+2 + 6 H2O + log_k 17.2793 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pb4Cl2(OH)6 # Enthalpy of formation: 0 kcal/mol Pb4O(PO4)2 - Pb4O(PO4)2 +4.0000 H+ = + 1.0000 H2O + 2.0000 HPO4-- + 4.0000 Pb++ - log_k -12.5727 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pb4O(PO4)2 + Pb4O(PO4)2 + 4 H+ = H2O + 2 HPO4-2 + 4 Pb+2 + log_k -12.5727 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pb4O(PO4)2 # Enthalpy of formation: 0 kcal/mol Pb4SO7 - Pb4SO7 +6.0000 H+ = + 1.0000 SO4-- + 3.0000 H2O + 4.0000 Pb++ - log_k 21.7354 - -delta_H -136.566 kJ/mol # Calculated enthalpy of reaction Pb4SO7 + Pb4SO7 + 6 H+ = SO4-2 + 3 H2O + 4 Pb+2 + log_k 21.7354 + -delta_H -136.566 kJ/mol # Calculated enthalpy of reaction Pb4SO7 # Enthalpy of formation: -1626.87 kJ/mol - -analytic -2.6884e+001 -2.1429e-002 6.8390e+003 1.2951e+001 1.1614e+002 + -analytic -2.6884e+1 -2.1429e-2 6.839e+3 1.2951e+1 1.1614e+2 # -Range: 0-200 PbBr2 - PbBr2 = + 1.0000 Pb++ + 2.0000 Br- - log_k -5.2413 - -delta_H 36.3838 kJ/mol # Calculated enthalpy of reaction PbBr2 + PbBr2 = Pb+2 + 2 Br- + log_k -5.2413 + -delta_H 36.3838 kJ/mol # Calculated enthalpy of reaction PbBr2 # Enthalpy of formation: -278.47 kJ/mol - -analytic 3.0977e+001 -1.6567e-002 -4.2879e+003 -6.8329e+000 -7.2825e+001 + -analytic 3.0977e+1 -1.6567e-2 -4.2879e+3 -6.8329e+0 -7.2825e+1 # -Range: 0-200 PbBrF - PbBrF = + 1.0000 Br- + 1.0000 F- + 1.0000 Pb++ - log_k -8.0418 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbBrF + PbBrF = Br- + F- + Pb+2 + log_k -8.0418 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbBrF # Enthalpy of formation: 0 kcal/mol PbCO3.PbO - PbCO3.PbO +3.0000 H+ = + 1.0000 H2O + 1.0000 HCO3- + 2.0000 Pb++ - log_k 9.6711 - -delta_H -55.4286 kJ/mol # Calculated enthalpy of reaction PbCO3.PbO + PbCO3PbO + 3 H+ = H2O + HCO3- + 2 Pb+2 + log_k 9.6711 + -delta_H -55.4286 kJ/mol # Calculated enthalpy of reaction PbCO3.PbO # Enthalpy of formation: -918.502 kJ/mol - -analytic -4.2160e+001 -1.4124e-002 3.8661e+003 1.7404e+001 6.5667e+001 + -analytic -4.216e+1 -1.4124e-2 3.8661e+3 1.7404e+1 6.5667e+1 # -Range: 0-200 PbF2 - PbF2 = + 1.0000 Pb++ + 2.0000 F- - log_k -5.2047 - -delta_H -5.83772 kJ/mol # Calculated enthalpy of reaction PbF2 + PbF2 = Pb+2 + 2 F- + log_k -5.2047 + -delta_H -5.83772 kJ/mol # Calculated enthalpy of reaction PbF2 # Enthalpy of formation: -663.937 kJ/mol - -analytic -2.2712e+002 -7.9552e-002 5.2198e+003 9.2173e+001 8.1516e+001 + -analytic -2.2712e+2 -7.9552e-2 5.2198e+3 9.2173e+1 8.1516e+1 # -Range: 0-300 PbFCl - PbFCl = + 1.0000 Cl- + 1.0000 F- + 1.0000 Pb++ - log_k -8.9820 - -delta_H 33.1852 kJ/mol # Calculated enthalpy of reaction PbFCl + PbFCl = Cl- + F- + Pb+2 + log_k -8.982 + -delta_H 33.1852 kJ/mol # Calculated enthalpy of reaction PbFCl # Enthalpy of formation: -534.692 kJ/mol - -analytic 6.1688e+000 -2.0732e-002 -3.4666e+003 1.0697e+000 -5.8869e+001 + -analytic 6.1688e+0 -2.0732e-2 -3.4666e+3 1.0697e+0 -5.8869e+1 # -Range: 0-200 PbHPO4 - PbHPO4 = + 1.0000 HPO4-- + 1.0000 Pb++ - log_k -15.7275 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbHPO4 + PbHPO4 = HPO4-2 + Pb+2 + log_k -15.7275 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbHPO4 # Enthalpy of formation: 0 kcal/mol PbI2 - PbI2 = + 1.0000 Pb++ + 2.0000 I- - log_k -8.0418 - -delta_H 62.5717 kJ/mol # Calculated enthalpy of reaction PbI2 + PbI2 = Pb+2 + 2 I- + log_k -8.0418 + -delta_H 62.5717 kJ/mol # Calculated enthalpy of reaction PbI2 # Enthalpy of formation: -175.456 kJ/mol - -analytic 1.5277e+001 -2.0582e-002 -5.1256e+003 0.0000e+000 0.0000e+000 + -analytic 1.5277e+1 -2.0582e-2 -5.1256e+3 0e+0 0e+0 # -Range: 0-200 PbSO4(NH3)2 - PbSO4(NH3)2 = + 1.0000 Pb++ + 1.0000 SO4-- + 2.0000 NH3 - log_k -2.0213 - -delta_H 28.284 kJ/mol # Calculated enthalpy of reaction PbSO4(NH3)2 + PbSO4(NH3)2 = Pb+2 + SO4-2 + 2 NH3 + log_k -2.0213 + -delta_H 28.284 kJ/mol # Calculated enthalpy of reaction PbSO4(NH3)2 # Enthalpy of formation: -1099.64 kJ/mol - -analytic 3.5718e-001 -1.0192e-002 -2.0095e+003 2.9853e+000 -3.4124e+001 + -analytic 3.5718e-1 -1.0192e-2 -2.0095e+3 2.9853e+0 -3.4124e+1 # -Range: 0-200 PbSO4(NH3)4 - PbSO4(NH3)4 = + 1.0000 Pb++ + 1.0000 SO4-- + 4.0000 NH3 - log_k 1.5024 - -delta_H 31.155 kJ/mol # Calculated enthalpy of reaction PbSO4(NH3)4 + PbSO4(NH3)4 = Pb+2 + SO4-2 + 4 NH3 + log_k 1.5024 + -delta_H 31.155 kJ/mol # Calculated enthalpy of reaction PbSO4(NH3)4 # Enthalpy of formation: -1265.18 kJ/mol - -analytic -4.1080e+001 -7.2307e-003 6.6637e+001 1.7984e+001 1.1460e+000 + -analytic -4.108e+1 -7.2307e-3 6.6637e+1 1.7984e+1 1.146e+0 # -Range: 0-200 PbSeO4 - PbSeO4 = + 1.0000 Pb++ + 1.0000 SeO4-- - log_k -6.9372 - -delta_H 10.8967 kJ/mol # Calculated enthalpy of reaction PbSeO4 + PbSeO4 = Pb+2 + SeO4-2 + log_k -6.9372 + -delta_H 10.8967 kJ/mol # Calculated enthalpy of reaction PbSeO4 # Enthalpy of formation: -609.125 kJ/mol - -analytic 3.1292e+001 -1.4192e-002 -3.0980e+003 -9.5448e+000 -5.2618e+001 + -analytic 3.1292e+1 -1.4192e-2 -3.098e+3 -9.5448e+0 -5.2618e+1 # -Range: 0-200 Pd - Pd +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Pd++ - log_k 12.0688 - -delta_H -103.709 kJ/mol # Calculated enthalpy of reaction Pd + Pd + 2 H+ + 0.5 O2 = H2O + Pd+2 + log_k 12.0688 + -delta_H -103.709 kJ/mol # Calculated enthalpy of reaction Pd # Enthalpy of formation: 0 kcal/mol - -analytic -6.2530e+001 -1.9774e-002 6.7013e+003 2.3441e+001 1.0459e+002 + -analytic -6.253e+1 -1.9774e-2 6.7013e+3 2.3441e+1 1.0459e+2 # -Range: 0-300 PdO - PdO +2.0000 H+ = + 1.0000 H2O + 1.0000 Pd++ - log_k 0.0643 - -delta_H -24.422 kJ/mol # Calculated enthalpy of reaction PdO + PdO + 2 H+ = H2O + Pd+2 + log_k 0.0643 + -delta_H -24.422 kJ/mol # Calculated enthalpy of reaction PdO # Enthalpy of formation: -20.4 kcal/mol - -analytic -8.8921e+001 -1.9031e-002 3.8537e+003 3.3028e+001 6.0159e+001 + -analytic -8.8921e+1 -1.9031e-2 3.8537e+3 3.3028e+1 6.0159e+1 # -Range: 0-300 Penroseite - NiSe2 +1.0000 H2O = + 0.5000 O2 + 1.0000 Ni++ + 2.0000 H+ + 2.0000 Se-- - log_k -98.8004 - -delta_H 0 # Not possible to calculate enthalpy of reaction Penroseite + NiSe2 + H2O = 0.5 O2 + Ni+2 + 2 H+ + 2 Se-2 + log_k -98.8004 + -delta_H 0 # Not possible to calculate enthalpy of reaction Penroseite # Enthalpy of formation: -26 kcal/mol - -analytic -4.7339e+001 -1.2035e-002 -2.3589e+004 1.2624e+001 -3.6808e+002 + -analytic -4.7339e+1 -1.2035e-2 -2.3589e+4 1.2624e+1 -3.6808e+2 # -Range: 0-300 Pentahydrite - MgSO4:5H2O = + 1.0000 Mg++ + 1.0000 SO4-- + 5.0000 H2O - log_k -1.3872 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pentahydrite + MgSO4:5H2O = Mg+2 + SO4-2 + 5 H2O + log_k -1.3872 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pentahydrite # Enthalpy of formation: 0 kcal/mol Periclase - MgO +2.0000 H+ = + 1.0000 H2O + 1.0000 Mg++ - log_k 21.3354 - -delta_H -150.139 kJ/mol # Calculated enthalpy of reaction Periclase + MgO + 2 H+ = H2O + Mg+2 + log_k 21.3354 + -delta_H -150.139 kJ/mol # Calculated enthalpy of reaction Periclase # Enthalpy of formation: -143.8 kcal/mol - -analytic -8.8465e+001 -1.8390e-002 1.0414e+004 3.2469e+001 1.6253e+002 + -analytic -8.8465e+1 -1.839e-2 1.0414e+4 3.2469e+1 1.6253e+2 # -Range: 0-300 Petalite - LiAlSi4O10 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 Li+ + 2.0000 H2O + 4.0000 SiO2 - log_k -3.8153 - -delta_H -13.1739 kJ/mol # Calculated enthalpy of reaction Petalite + LiAlSi4O10 + 4 H+ = Al+3 + Li+ + 2 H2O + 4 SiO2 + log_k -3.8153 + -delta_H -13.1739 kJ/mol # Calculated enthalpy of reaction Petalite # Enthalpy of formation: -4886.15 kJ/mol - -analytic -6.6355e+000 2.4316e-002 1.5949e+004 -1.3341e+001 -2.2265e+006 + -analytic -6.6355e+0 2.4316e-2 1.5949e+4 -1.3341e+1 -2.2265e+6 # -Range: 0-300 Phlogopite - KAlMg3Si3O10(OH)2 +10.0000 H+ = + 1.0000 Al+++ + 1.0000 K+ + 3.0000 Mg++ + 3.0000 SiO2 + 6.0000 H2O - log_k 37.4400 - -delta_H -310.503 kJ/mol # Calculated enthalpy of reaction Phlogopite + KAlMg3Si3O10(OH)2 + 10 H+ = Al+3 + K+ + 3 Mg+2 + 3 SiO2 + 6 H2O + log_k 37.44 + -delta_H -310.503 kJ/mol # Calculated enthalpy of reaction Phlogopite # Enthalpy of formation: -1488.07 kcal/mol - -analytic -8.7730e+001 -1.7253e-002 2.3748e+004 2.4465e+001 -8.9045e+005 + -analytic -8.773e+1 -1.7253e-2 2.3748e+4 2.4465e+1 -8.9045e+5 # -Range: 0-300 Phosgenite - Pb2(CO3)Cl2 +1.0000 H+ = + 1.0000 HCO3- + 2.0000 Cl- + 2.0000 Pb++ - log_k -9.6355 - -delta_H 49.0844 kJ/mol # Calculated enthalpy of reaction Phosgenite + Pb2(CO3)Cl2 + H+ = HCO3- + 2 Cl- + 2 Pb+2 + log_k -9.6355 + -delta_H 49.0844 kJ/mol # Calculated enthalpy of reaction Phosgenite # Enthalpy of formation: -1071.34 kJ/mol - -analytic 3.4909e+000 -2.9365e-002 -4.6327e+003 4.5068e+000 -7.8671e+001 + -analytic 3.4909e+0 -2.9365e-2 -4.6327e+3 4.5068e+0 -7.8671e+1 # -Range: 0-200 Picromerite - K2Mg(SO4)2:6H2O = + 1.0000 Mg++ + 2.0000 K+ + 2.0000 SO4-- + 6.0000 H2O - log_k -4.4396 - -delta_H 0 # Not possible to calculate enthalpy of reaction Picromerite + K2Mg(SO4)2:6H2O = Mg+2 + 2 K+ + 2 SO4-2 + 6 H2O + log_k -4.4396 + -delta_H 0 # Not possible to calculate enthalpy of reaction Picromerite # Enthalpy of formation: 0 kcal/mol Pirssonite - Na2Ca(CO3)2:2H2O +2.0000 H+ = + 1.0000 Ca++ + 2.0000 H2O + 2.0000 HCO3- + 2.0000 Na+ - log_k 11.3230 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pirssonite + Na2Ca(CO3)2:2H2O + 2 H+ = Ca+2 + 2 H2O + 2 HCO3- + 2 Na+ + log_k 11.323 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pirssonite # Enthalpy of formation: 0 kcal/mol Plattnerite - PbO2 +4.0000 H+ = + 1.0000 Pb++++ + 2.0000 H2O - log_k -7.9661 - -delta_H 0 # Not possible to calculate enthalpy of reaction Plattnerite + PbO2 + 4 H+ = Pb+4 + 2 H2O + log_k -7.9661 + -delta_H 0 # Not possible to calculate enthalpy of reaction Plattnerite # Enthalpy of formation: -277.363 kJ/mol Plumbogummite - PbAl3(PO4)2(OH)5:H2O +7.0000 H+ = + 1.0000 Pb++ + 2.0000 HPO4-- + 3.0000 Al+++ + 6.0000 H2O - log_k -8.1463 - -delta_H 0 # Not possible to calculate enthalpy of reaction Plumbogummite + PbAl3(PO4)2(OH)5:H2O + 7 H+ = Pb+2 + 2 HPO4-2 + 3 Al+3 + 6 H2O + log_k -8.1463 + -delta_H 0 # Not possible to calculate enthalpy of reaction Plumbogummite # Enthalpy of formation: 0 kcal/mol Pm - Pm +3.0000 H+ +0.7500 O2 = + 1.0000 Pm+++ + 1.5000 H2O - log_k 180.6737 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pm + Pm + 3 H+ + 0.75 O2 = Pm+3 + 1.5 H2O + log_k 180.6737 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pm # Enthalpy of formation: 0 kcal/mol Pm(OH)3 - Pm(OH)3 +3.0000 H+ = + 1.0000 Pm+++ + 3.0000 H2O - log_k 17.4852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(OH)3 + Pm(OH)3 + 3 H+ = Pm+3 + 3 H2O + log_k 17.4852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(OH)3 # Enthalpy of formation: 0 kcal/mol Pm(OH)3(am) - Pm(OH)3 +3.0000 H+ = + 1.0000 Pm+++ + 3.0000 H2O - log_k 18.2852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(OH)3(am) + Pm(OH)3 + 3 H+ = Pm+3 + 3 H2O + log_k 18.2852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(OH)3(am) # Enthalpy of formation: 0 kcal/mol Pm2(CO3)3 - Pm2(CO3)3 +3.0000 H+ = + 2.0000 Pm+++ + 3.0000 HCO3- - log_k -3.5636 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pm2(CO3)3 + Pm2(CO3)3 + 3 H+ = 2 Pm+3 + 3 HCO3- + log_k -3.5636 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pm2(CO3)3 # Enthalpy of formation: 0 kcal/mol Pm2O3 - Pm2O3 +6.0000 H+ = + 2.0000 Pm+++ + 3.0000 H2O - log_k 48.8000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pm2O3 + Pm2O3 + 6 H+ = 2 Pm+3 + 3 H2O + log_k 48.8 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pm2O3 # Enthalpy of formation: 0 kcal/mol PmF3:.5H2O - PmF3:.5H2O = + 0.5000 H2O + 1.0000 Pm+++ + 3.0000 F- - log_k -18.1000 - -delta_H 0 # Not possible to calculate enthalpy of reaction PmF3:.5H2O + PmF3:.5H2O = 0.5 H2O + Pm+3 + 3 F- + log_k -18.1 + -delta_H 0 # Not possible to calculate enthalpy of reaction PmF3:.5H2O # Enthalpy of formation: 0 kcal/mol PmPO4:10H2O - PmPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 Pm+++ + 10.0000 H2O - log_k -12.1782 - -delta_H 0 # Not possible to calculate enthalpy of reaction PmPO4:10H2O + PmPO4:10H2O + H+ = HPO4-2 + Pm+3 + 10 H2O + log_k -12.1782 + -delta_H 0 # Not possible to calculate enthalpy of reaction PmPO4:10H2O # Enthalpy of formation: 0 kcal/mol Polydymite - Ni3S4 +2.0000 H+ = + 1.0000 S2-- + 2.0000 HS- + 3.0000 Ni++ - log_k -48.9062 - -delta_H 0 # Not possible to calculate enthalpy of reaction Polydymite + Ni3S4 + 2 H+ = S2-2 + 2 HS- + 3 Ni+2 + log_k -48.9062 + -delta_H 0 # Not possible to calculate enthalpy of reaction Polydymite # Enthalpy of formation: -78.014 kcal/mol - -analytic -1.8030e+001 -4.6945e-002 -1.1557e+004 8.8339e+000 -1.9625e+002 + -analytic -1.803e+1 -4.6945e-2 -1.1557e+4 8.8339e+0 -1.9625e+2 # -Range: 0-200 Polyhalite - K2MgCa2(SO4)4:2H2O = + 1.0000 Mg++ + 2.0000 Ca++ + 2.0000 H2O + 2.0000 K+ + 4.0000 SO4-- - log_k -14.3124 - -delta_H 0 # Not possible to calculate enthalpy of reaction Polyhalite + K2MgCa2(SO4)4:2H2O = Mg+2 + 2 Ca+2 + 2 H2O + 2 K+ + 4 SO4-2 + log_k -14.3124 + -delta_H 0 # Not possible to calculate enthalpy of reaction Polyhalite # Enthalpy of formation: 0 kcal/mol Portlandite - Ca(OH)2 +2.0000 H+ = + 1.0000 Ca++ + 2.0000 H2O - log_k 22.5552 - -delta_H -128.686 kJ/mol # Calculated enthalpy of reaction Portlandite + Ca(OH)2 + 2 H+ = Ca+2 + 2 H2O + log_k 22.5552 + -delta_H -128.686 kJ/mol # Calculated enthalpy of reaction Portlandite # Enthalpy of formation: -986.074 kJ/mol - -analytic -8.3848e+001 -1.8373e-002 9.3154e+003 3.2584e+001 1.4538e+002 + -analytic -8.3848e+1 -1.8373e-2 9.3154e+3 3.2584e+1 1.4538e+2 # -Range: 0-300 Pr - Pr +3.0000 H+ +0.7500 O2 = + 1.0000 Pr+++ + 1.5000 H2O - log_k 183.6893 - -delta_H -1125.92 kJ/mol # Calculated enthalpy of reaction Pr + Pr + 3 H+ + 0.75 O2 = Pr+3 + 1.5 H2O + log_k 183.6893 + -delta_H -1125.92 kJ/mol # Calculated enthalpy of reaction Pr # Enthalpy of formation: 0 kJ/mol - -analytic -4.1136e+002 -7.5853e-002 7.9974e+004 1.4718e+002 -1.3148e+006 + -analytic -4.1136e+2 -7.5853e-2 7.9974e+4 1.4718e+2 -1.3148e+6 # -Range: 0-300 Pr(OH)3 - Pr(OH)3 +3.0000 H+ = + 1.0000 Pr+++ + 3.0000 H2O - log_k 19.5852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pr(OH)3 + Pr(OH)3 + 3 H+ = Pr+3 + 3 H2O + log_k 19.5852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pr(OH)3 # Enthalpy of formation: 0 kcal/mol Pr(OH)3(am) - Pr(OH)3 +3.0000 H+ = + 1.0000 Pr+++ + 3.0000 H2O - log_k 21.0852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pr(OH)3(am) + Pr(OH)3 + 3 H+ = Pr+3 + 3 H2O + log_k 21.0852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pr(OH)3(am) # Enthalpy of formation: 0 kcal/mol Pr2(CO3)3 - Pr2(CO3)3 +3.0000 H+ = + 2.0000 Pr+++ + 3.0000 HCO3- - log_k -3.8136 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pr2(CO3)3 + Pr2(CO3)3 + 3 H+ = 2 Pr+3 + 3 HCO3- + log_k -3.8136 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pr2(CO3)3 # Enthalpy of formation: 0 kcal/mol Pr2O3 - Pr2O3 +6.0000 H+ = + 2.0000 Pr+++ + 3.0000 H2O - log_k 61.4000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pr2O3 + Pr2O3 + 6 H+ = 2 Pr+3 + 3 H2O + log_k 61.4 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pr2O3 # Enthalpy of formation: 0 kcal/mol PrF3:.5H2O - PrF3:.5H2O = + 0.5000 H2O + 1.0000 Pr+++ + 3.0000 F- - log_k -18.7000 - -delta_H 0 # Not possible to calculate enthalpy of reaction PrF3:.5H2O + PrF3:.5H2O = 0.5 H2O + Pr+3 + 3 F- + log_k -18.7 + -delta_H 0 # Not possible to calculate enthalpy of reaction PrF3:.5H2O # Enthalpy of formation: 0 kcal/mol PrPO4:10H2O - PrPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 Pr+++ + 10.0000 H2O - log_k -12.2782 - -delta_H 0 # Not possible to calculate enthalpy of reaction PrPO4:10H2O + PrPO4:10H2O + H+ = HPO4-2 + Pr+3 + 10 H2O + log_k -12.2782 + -delta_H 0 # Not possible to calculate enthalpy of reaction PrPO4:10H2O # Enthalpy of formation: 0 kcal/mol Prehnite - Ca2Al2Si3O10(OH)2 +10.0000 H+ = + 2.0000 Al+++ + 2.0000 Ca++ + 3.0000 SiO2 + 6.0000 H2O - log_k 32.9305 - -delta_H -311.875 kJ/mol # Calculated enthalpy of reaction Prehnite + Ca2Al2Si3O10(OH)2 + 10 H+ = 2 Al+3 + 2 Ca+2 + 3 SiO2 + 6 H2O + log_k 32.9305 + -delta_H -311.875 kJ/mol # Calculated enthalpy of reaction Prehnite # Enthalpy of formation: -1481.65 kcal/mol - -analytic -3.5763e+001 -2.1396e-002 2.0167e+004 6.3554e+000 -7.4967e+005 + -analytic -3.5763e+1 -2.1396e-2 2.0167e+4 6.3554e+0 -7.4967e+5 # -Range: 0-300 Przhevalskite - Pb(UO2)2(PO4)2 +2.0000 H+ = + 1.0000 Pb++ + 2.0000 HPO4-- + 2.0000 UO2++ - log_k -20.0403 - -delta_H -71.1058 kJ/mol # Calculated enthalpy of reaction Przhevalskite + Pb(UO2)2(PO4)2 + 2 H+ = Pb+2 + 2 HPO4-2 + 2 UO2+2 + log_k -20.0403 + -delta_H -71.1058 kJ/mol # Calculated enthalpy of reaction Przhevalskite # Enthalpy of formation: -1087.51 kcal/mol - -analytic -2.9817e+001 -4.0756e-002 1.0077e+003 7.4885e+000 1.7122e+001 + -analytic -2.9817e+1 -4.0756e-2 1.0077e+3 7.4885e+0 1.7122e+1 # -Range: 0-200 Pseudowollastonite - CaSiO3 +2.0000 H+ = + 1.0000 Ca++ + 1.0000 H2O + 1.0000 SiO2 - log_k 13.9997 - -delta_H -79.4625 kJ/mol # Calculated enthalpy of reaction Pseudowollastonite + CaSiO3 + 2 H+ = Ca+2 + H2O + SiO2 + log_k 13.9997 + -delta_H -79.4625 kJ/mol # Calculated enthalpy of reaction Pseudowollastonite # Enthalpy of formation: -388.9 kcal/mol - -analytic 2.6691e+001 6.3323e-003 5.5723e+003 -1.1822e+001 -3.6038e+005 + -analytic 2.6691e+1 6.3323e-3 5.5723e+3 -1.1822e+1 -3.6038e+5 # -Range: 0-300 Pu - Pu +4.0000 H+ +1.0000 O2 = + 1.0000 Pu++++ + 2.0000 H2O - log_k 170.3761 - -delta_H -1095.44 kJ/mol # Calculated enthalpy of reaction Pu + Pu + 4 H+ + O2 = Pu+4 + 2 H2O + log_k 170.3761 + -delta_H -1095.44 kJ/mol # Calculated enthalpy of reaction Pu # Enthalpy of formation: 0 kJ/mol - -analytic -1.9321e+002 -3.4314e-002 6.6737e+004 6.3552e+001 -6.4737e+005 + -analytic -1.9321e+2 -3.4314e-2 6.6737e+4 6.3552e+1 -6.4737e+5 # -Range: 0-300 Pu(HPO4)2 - Pu(HPO4)2 = + 1.0000 Pu++++ + 2.0000 HPO4-- - log_k -27.7025 - -delta_H -33.4449 kJ/mol # Calculated enthalpy of reaction Pu(HPO4)2 + Pu(HPO4)2 = Pu+4 + 2 HPO4-2 + log_k -27.7025 + -delta_H -33.4449 kJ/mol # Calculated enthalpy of reaction Pu(HPO4)2 # Enthalpy of formation: -3086.61 kJ/mol - -analytic -3.6565e+002 -1.3961e-001 7.9105e+003 1.4265e+002 1.2354e+002 + -analytic -3.6565e+2 -1.3961e-1 7.9105e+3 1.4265e+2 1.2354e+2 # -Range: 0-300 Pu(OH)3 - Pu(OH)3 +3.0000 H+ = + 1.0000 Pu+++ + 3.0000 H2O - log_k 22.4499 - -delta_H -148.067 kJ/mol # Calculated enthalpy of reaction Pu(OH)3 + Pu(OH)3 + 3 H+ = Pu+3 + 3 H2O + log_k 22.4499 + -delta_H -148.067 kJ/mol # Calculated enthalpy of reaction Pu(OH)3 # Enthalpy of formation: -1301 kJ/mol - -analytic -6.1342e+001 -8.6952e-003 9.7733e+003 2.1664e+001 1.5252e+002 + -analytic -6.1342e+1 -8.6952e-3 9.7733e+3 2.1664e+1 1.5252e+2 # -Range: 0-300 Pu(OH)4 - Pu(OH)4 +4.0000 H+ = + 1.0000 Pu++++ + 4.0000 H2O - log_k 0.7578 - -delta_H -68.6543 kJ/mol # Calculated enthalpy of reaction Pu(OH)4 + Pu(OH)4 + 4 H+ = Pu+4 + 4 H2O + log_k 0.7578 + -delta_H -68.6543 kJ/mol # Calculated enthalpy of reaction Pu(OH)4 # Enthalpy of formation: -1610.59 kJ/mol - -analytic -9.3473e+001 -1.0579e-002 6.5974e+003 3.0415e+001 1.0297e+002 + -analytic -9.3473e+1 -1.0579e-2 6.5974e+3 3.0415e+1 1.0297e+2 # -Range: 0-300 Pu2O3 - Pu2O3 +6.0000 H+ = + 2.0000 Pu+++ + 3.0000 H2O - log_k 48.1332 - -delta_H -360.26 kJ/mol # Calculated enthalpy of reaction Pu2O3 + Pu2O3 + 6 H+ = 2 Pu+3 + 3 H2O + log_k 48.1332 + -delta_H -360.26 kJ/mol # Calculated enthalpy of reaction Pu2O3 # Enthalpy of formation: -1680.36 kJ/mol - -analytic -8.7831e+001 -1.9784e-002 2.0832e+004 2.9096e+001 3.2509e+002 + -analytic -8.7831e+1 -1.9784e-2 2.0832e+4 2.9096e+1 3.2509e+2 # -Range: 0-300 PuF3 - PuF3 = + 1.0000 Pu+++ + 3.0000 F- - log_k -10.1872 - -delta_H -46.2608 kJ/mol # Calculated enthalpy of reaction PuF3 + PuF3 = Pu+3 + 3 F- + log_k -10.1872 + -delta_H -46.2608 kJ/mol # Calculated enthalpy of reaction PuF3 # Enthalpy of formation: -1551.33 kJ/mol - -analytic -3.1104e+002 -1.0854e-001 8.7435e+003 1.2279e+002 1.3653e+002 + -analytic -3.1104e+2 -1.0854e-1 8.7435e+3 1.2279e+2 1.3653e+2 # -Range: 0-300 PuF4 - PuF4 = + 1.0000 Pu++++ + 4.0000 F- - log_k -13.2091 - -delta_H -100.039 kJ/mol # Calculated enthalpy of reaction PuF4 + PuF4 = Pu+4 + 4 F- + log_k -13.2091 + -delta_H -100.039 kJ/mol # Calculated enthalpy of reaction PuF4 # Enthalpy of formation: -1777.24 kJ/mol - -analytic -4.3072e+002 -1.4500e-001 1.4076e+004 1.6709e+002 2.1977e+002 + -analytic -4.3072e+2 -1.45e-1 1.4076e+4 1.6709e+2 2.1977e+2 # -Range: 0-300 PuO2 - PuO2 +4.0000 H+ = + 1.0000 Pu++++ + 2.0000 H2O - log_k -7.3646 - -delta_H -51.8827 kJ/mol # Calculated enthalpy of reaction PuO2 + PuO2 + 4 H+ = Pu+4 + 2 H2O + log_k -7.3646 + -delta_H -51.8827 kJ/mol # Calculated enthalpy of reaction PuO2 # Enthalpy of formation: -1055.69 kJ/mol - -analytic -7.1933e+001 -1.1841e-002 4.4494e+003 2.1491e+001 6.9450e+001 + -analytic -7.1933e+1 -1.1841e-2 4.4494e+3 2.1491e+1 6.945e+1 # -Range: 0-300 PuO2(OH)2 - PuO2(OH)2 +2.0000 H+ = + 1.0000 PuO2++ + 2.0000 H2O - log_k 3.5499 - -delta_H -35.7307 kJ/mol # Calculated enthalpy of reaction PuO2(OH)2 + PuO2(OH)2 + 2 H+ = PuO2+2 + 2 H2O + log_k 3.5499 + -delta_H -35.7307 kJ/mol # Calculated enthalpy of reaction PuO2(OH)2 # Enthalpy of formation: -1357.52 kJ/mol - -analytic -2.6536e+001 -1.6542e-003 2.8262e+003 8.5277e+000 4.4108e+001 + -analytic -2.6536e+1 -1.6542e-3 2.8262e+3 8.5277e+0 4.4108e+1 # -Range: 0-300 PuO2HPO4 - PuO2HPO4 = + 1.0000 HPO4-- + 1.0000 PuO2++ - log_k -12.6074 - -delta_H -10.108 kJ/mol # Calculated enthalpy of reaction PuO2HPO4 + PuO2HPO4 = HPO4-2 + PuO2+2 + log_k -12.6074 + -delta_H -10.108 kJ/mol # Calculated enthalpy of reaction PuO2HPO4 # Enthalpy of formation: -2103.55 kJ/mol - -analytic -1.6296e+002 -6.6166e-002 3.0557e+003 6.4577e+001 4.7729e+001 + -analytic -1.6296e+2 -6.6166e-2 3.0557e+3 6.4577e+1 4.7729e+1 # -Range: 0-300 PuO2OH(am) - PuO2OH +1.0000 H+ = + 1.0000 H2O + 1.0000 PuO2+ - log_k 5.4628 - -delta_H -42.4933 kJ/mol # Calculated enthalpy of reaction PuO2OH(am) + PuO2OH + H+ = H2O + PuO2+ + log_k 5.4628 + -delta_H -42.4933 kJ/mol # Calculated enthalpy of reaction PuO2OH(am) # Enthalpy of formation: -1157.53 kJ/mol - -analytic -3.1316e+000 6.7573e-003 2.6884e+003 -9.8622e-001 4.1951e+001 + -analytic -3.1316e+0 6.7573e-3 2.6884e+3 -9.8622e-1 4.1951e+1 # -Range: 0-300 Pyrite - FeS2 +1.0000 H2O = + 0.2500 H+ + 0.2500 SO4-- + 1.0000 Fe++ + 1.7500 HS- - log_k -24.6534 - -delta_H 109.535 kJ/mol # Calculated enthalpy of reaction Pyrite + FeS2 + H2O = 0.25 H+ + 0.25 SO4-2 + Fe+2 + 1.75 HS- + log_k -24.6534 + -delta_H 109.535 kJ/mol # Calculated enthalpy of reaction Pyrite # Enthalpy of formation: -41 kcal/mol - -analytic -2.4195e+002 -8.7948e-002 -6.2911e+002 9.9248e+001 -9.7454e+000 + -analytic -2.4195e+2 -8.7948e-2 -6.2911e+2 9.9248e+1 -9.7454e+0 # -Range: 0-300 Pyrolusite - MnO2 = + 0.5000 Mn++ + 0.5000 MnO4-- - log_k -17.6439 - -delta_H 83.3804 kJ/mol # Calculated enthalpy of reaction Pyrolusite + MnO2 = 0.5 Mn+2 + 0.5 MnO4-2 + log_k -17.6439 + -delta_H 83.3804 kJ/mol # Calculated enthalpy of reaction Pyrolusite # Enthalpy of formation: -520.031 kJ/mol - -analytic -1.1541e+002 -4.1665e-002 -1.8960e+003 4.7094e+001 -2.9551e+001 + -analytic -1.1541e+2 -4.1665e-2 -1.896e+3 4.7094e+1 -2.9551e+1 # -Range: 0-300 Pyromorphite - Pb5(PO4)3Cl +3.0000 H+ = + 1.0000 Cl- + 3.0000 HPO4-- + 5.0000 Pb++ - log_k -47.8954 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pyromorphite + Pb5(PO4)3Cl + 3 H+ = Cl- + 3 HPO4-2 + 5 Pb+2 + log_k -47.8954 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pyromorphite # Enthalpy of formation: 0 kcal/mol Pyromorphite-OH - Pb5(OH)(PO4)3 +4.0000 H+ = + 1.0000 H2O + 3.0000 HPO4-- + 5.0000 Pb++ - log_k -26.2653 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pyromorphite-OH + Pb5(OH)(PO4)3 + 4 H+ = H2O + 3 HPO4-2 + 5 Pb+2 + log_k -26.2653 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pyromorphite-OH # Enthalpy of formation: 0 kcal/mol Pyrophyllite - Al2Si4O10(OH)2 +6.0000 H+ = + 2.0000 Al+++ + 4.0000 H2O + 4.0000 SiO2 - log_k 0.4397 - -delta_H -102.161 kJ/mol # Calculated enthalpy of reaction Pyrophyllite + Al2Si4O10(OH)2 + 6 H+ = 2 Al+3 + 4 H2O + 4 SiO2 + log_k 0.4397 + -delta_H -102.161 kJ/mol # Calculated enthalpy of reaction Pyrophyllite # Enthalpy of formation: -1345.31 kcal/mol - -analytic 1.1066e+001 1.2707e-002 1.6417e+004 -1.9596e+001 -1.8791e+006 + -analytic 1.1066e+1 1.2707e-2 1.6417e+4 -1.9596e+1 -1.8791e+6 # -Range: 0-300 Pyrrhotite - FeS +1.0000 H+ = + 1.0000 Fe++ + 1.0000 HS- - log_k -3.7193 - -delta_H -7.9496 kJ/mol # Calculated enthalpy of reaction Pyrrhotite + FeS + H+ = Fe+2 + HS- + log_k -3.7193 + -delta_H -7.9496 kJ/mol # Calculated enthalpy of reaction Pyrrhotite # Enthalpy of formation: -24 kcal/mol - -analytic -1.5785e+002 -5.2258e-002 3.9711e+003 6.3195e+001 6.2012e+001 + -analytic -1.5785e+2 -5.2258e-2 3.9711e+3 6.3195e+1 6.2012e+1 # -Range: 0-300 Quartz - SiO2 = + 1.0000 SiO2 - log_k -3.9993 - -delta_H 32.949 kJ/mol # Calculated enthalpy of reaction Quartz + SiO2 = SiO2 + log_k -3.9993 + -delta_H 32.949 kJ/mol # Calculated enthalpy of reaction Quartz # Enthalpy of formation: -217.65 kcal/mol - -analytic 7.7698e-002 1.0612e-002 3.4651e+003 -4.3551e+000 -7.2138e+005 + -analytic 7.7698e-2 1.0612e-2 3.4651e+3 -4.3551e+0 -7.2138e+5 # -Range: 0-300 Ra - Ra +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Ra++ - log_k 141.3711 - -delta_H -807.374 kJ/mol # Calculated enthalpy of reaction Ra + Ra + 2 H+ + 0.5 O2 = H2O + Ra+2 + log_k 141.3711 + -delta_H -807.374 kJ/mol # Calculated enthalpy of reaction Ra # Enthalpy of formation: 0 kJ/mol - -analytic 4.9867e+001 5.9412e-003 4.0293e+004 -1.8356e+001 6.8421e+002 + -analytic 4.9867e+1 5.9412e-3 4.0293e+4 -1.8356e+1 6.8421e+2 # -Range: 0-200 Ra(NO3)2 - Ra(NO3)2 = + 1.0000 Ra++ + 2.0000 NO3- - log_k -2.2419 - -delta_H 50.4817 kJ/mol # Calculated enthalpy of reaction Ra(NO3)2 + Ra(NO3)2 = Ra+2 + 2 NO3- + log_k -2.2419 + -delta_H 50.4817 kJ/mol # Calculated enthalpy of reaction Ra(NO3)2 # Enthalpy of formation: -991.706 kJ/mol - -analytic 2.2001e+001 -9.5263e-003 -3.9389e+003 -3.3143e+000 -6.6896e+001 + -analytic 2.2001e+1 -9.5263e-3 -3.9389e+3 -3.3143e+0 -6.6896e+1 # -Range: 0-200 RaCl2:2H2O - RaCl2:2H2O = + 1.0000 Ra++ + 2.0000 Cl- + 2.0000 H2O - log_k -0.7647 - -delta_H 32.6266 kJ/mol # Calculated enthalpy of reaction RaCl2:2H2O + RaCl2:2H2O = Ra+2 + 2 Cl- + 2 H2O + log_k -0.7647 + -delta_H 32.6266 kJ/mol # Calculated enthalpy of reaction RaCl2:2H2O # Enthalpy of formation: -1466.07 kJ/mol - -analytic -2.5033e+001 -1.8918e-002 -1.5713e+003 1.4213e+001 -2.6673e+001 + -analytic -2.5033e+1 -1.8918e-2 -1.5713e+3 1.4213e+1 -2.6673e+1 # -Range: 0-200 RaSO4 - RaSO4 = + 1.0000 Ra++ + 1.0000 SO4-- - log_k -10.4499 - -delta_H 40.309 kJ/mol # Calculated enthalpy of reaction RaSO4 + RaSO4 = Ra+2 + SO4-2 + log_k -10.4499 + -delta_H 40.309 kJ/mol # Calculated enthalpy of reaction RaSO4 # Enthalpy of formation: -1477.51 kJ/mol - -analytic 4.8025e+001 -1.1376e-002 -5.1347e+003 -1.5306e+001 -8.7211e+001 + -analytic 4.8025e+1 -1.1376e-2 -5.1347e+3 -1.5306e+1 -8.7211e+1 # -Range: 0-200 Rankinite - Ca3Si2O7 +6.0000 H+ = + 2.0000 SiO2 + 3.0000 Ca++ + 3.0000 H2O - log_k 51.9078 - -delta_H -302.089 kJ/mol # Calculated enthalpy of reaction Rankinite + Ca3Si2O7 + 6 H+ = 2 SiO2 + 3 Ca+2 + 3 H2O + log_k 51.9078 + -delta_H -302.089 kJ/mol # Calculated enthalpy of reaction Rankinite # Enthalpy of formation: -941.7 kcal/mol - -analytic -9.6393e+001 -1.6592e-002 2.4832e+004 3.2541e+001 -9.4630e+005 + -analytic -9.6393e+1 -1.6592e-2 2.4832e+4 3.2541e+1 -9.463e+5 # -Range: 0-300 Rb - Rb +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Rb+ - log_k 71.1987 - -delta_H -391.009 kJ/mol # Calculated enthalpy of reaction Rb + Rb + H+ + 0.25 O2 = 0.5 H2O + Rb+ + log_k 71.1987 + -delta_H -391.009 kJ/mol # Calculated enthalpy of reaction Rb # Enthalpy of formation: 0 kJ/mol - -analytic -2.1179e+001 -8.7978e-003 2.0934e+004 1.0011e+001 3.2667e+002 + -analytic -2.1179e+1 -8.7978e-3 2.0934e+4 1.0011e+1 3.2667e+2 # -Range: 0-300 Rb2UO4 - Rb2UO4 +4.0000 H+ = + 1.0000 UO2++ + 2.0000 H2O + 2.0000 Rb+ - log_k 34.0089 - -delta_H -170.224 kJ/mol # Calculated enthalpy of reaction Rb2UO4 + Rb2UO4 + 4 H+ = UO2+2 + 2 H2O + 2 Rb+ + log_k 34.0089 + -delta_H -170.224 kJ/mol # Calculated enthalpy of reaction Rb2UO4 # Enthalpy of formation: -1922.7 kJ/mol - -analytic -3.8205e+001 3.1862e-003 1.0973e+004 1.3925e+001 1.8636e+002 + -analytic -3.8205e+1 3.1862e-3 1.0973e+4 1.3925e+1 1.8636e+2 # -Range: 0-200 Re - Re +1.7500 O2 +0.5000 H2O = + 1.0000 H+ + 1.0000 ReO4- - log_k 105.9749 - -delta_H -623.276 kJ/mol # Calculated enthalpy of reaction Re + Re + 1.75 O2 + 0.5 H2O = H+ + ReO4- + log_k 105.9749 + -delta_H -623.276 kJ/mol # Calculated enthalpy of reaction Re # Enthalpy of formation: 0 kJ/mol - -analytic 1.4535e+001 -2.9877e-002 2.9910e+004 0.0000e+000 0.0000e+000 + -analytic 1.4535e+1 -2.9877e-2 2.991e+4 0e+0 0e+0 # -Range: 0-300 Realgar - AsS +2.0000 H2O = + 0.5000 S2O4-- + 1.0000 AsH3 + 1.0000 H+ - log_k -60.2768 - -delta_H 0 # Not possible to calculate enthalpy of reaction Realgar + AsS + 2 H2O = 0.5 S2O4-2 + AsH3 + H+ + log_k -60.2768 + -delta_H 0 # Not possible to calculate enthalpy of reaction Realgar # Enthalpy of formation: -71.406 kJ/mol Rhodochrosite - MnCO3 +1.0000 H+ = + 1.0000 HCO3- + 1.0000 Mn++ - log_k -0.1928 - -delta_H -21.3426 kJ/mol # Calculated enthalpy of reaction Rhodochrosite + MnCO3 + H+ = HCO3- + Mn+2 + log_k -0.1928 + -delta_H -21.3426 kJ/mol # Calculated enthalpy of reaction Rhodochrosite # Enthalpy of formation: -212.521 kcal/mol - -analytic -1.6195e+002 -4.9344e-002 5.0937e+003 6.4402e+001 7.9531e+001 + -analytic -1.6195e+2 -4.9344e-2 5.0937e+3 6.4402e+1 7.9531e+1 # -Range: 0-300 Rhodonite - MnSiO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 Mn++ + 1.0000 SiO2 - log_k 9.7301 - -delta_H -64.7121 kJ/mol # Calculated enthalpy of reaction Rhodonite + MnSiO3 + 2 H+ = H2O + Mn+2 + SiO2 + log_k 9.7301 + -delta_H -64.7121 kJ/mol # Calculated enthalpy of reaction Rhodonite # Enthalpy of formation: -1319.42 kJ/mol - -analytic 2.0585e+001 4.9941e-003 4.5816e+003 -9.8212e+000 -3.0658e+005 + -analytic 2.0585e+1 4.9941e-3 4.5816e+3 -9.8212e+0 -3.0658e+5 # -Range: 0-300 Ripidolite-14A - Mg3Fe2Al2Si3O10(OH)8 +16.0000 H+ = + 2.0000 Al+++ + 2.0000 Fe++ + 3.0000 Mg++ + 3.0000 SiO2 + 12.0000 H2O - log_k 60.9638 - -delta_H -572.472 kJ/mol # Calculated enthalpy of reaction Ripidolite-14A + Mg3Fe2Al2Si3O10(OH)8 + 16 H+ = 2 Al+3 + 2 Fe+2 + 3 Mg+2 + 3 SiO2 + 12 H2O + log_k 60.9638 + -delta_H -572.472 kJ/mol # Calculated enthalpy of reaction Ripidolite-14A # Enthalpy of formation: -1947.87 kcal/mol - -analytic -1.8376e+002 -6.1934e-002 3.2458e+004 6.2290e+001 5.0653e+002 + -analytic -1.8376e+2 -6.1934e-2 3.2458e+4 6.229e+1 5.0653e+2 # -Range: 0-300 Ripidolite-7A - Mg3Fe2Al2Si3O10(OH)8 +16.0000 H+ = + 2.0000 Al+++ + 2.0000 Fe++ + 3.0000 Mg++ + 3.0000 SiO2 + 12.0000 H2O - log_k 64.3371 - -delta_H -586.325 kJ/mol # Calculated enthalpy of reaction Ripidolite-7A + Mg3Fe2Al2Si3O10(OH)8 + 16 H+ = 2 Al+3 + 2 Fe+2 + 3 Mg+2 + 3 SiO2 + 12 H2O + log_k 64.3371 + -delta_H -586.325 kJ/mol # Calculated enthalpy of reaction Ripidolite-7A # Enthalpy of formation: -1944.56 kcal/mol - -analytic -1.9557e+002 -6.3779e-002 3.3634e+004 6.7057e+001 5.2489e+002 + -analytic -1.9557e+2 -6.3779e-2 3.3634e+4 6.7057e+1 5.2489e+2 # -Range: 0-300 Romarchite - SnO +2.0000 H+ = + 1.0000 H2O + 1.0000 Sn++ - log_k 1.3625 - -delta_H -8.69017 kJ/mol # Calculated enthalpy of reaction Romarchite + SnO + 2 H+ = H2O + Sn+2 + log_k 1.3625 + -delta_H -8.69017 kJ/mol # Calculated enthalpy of reaction Romarchite # Enthalpy of formation: -68.34 kcal/mol - -analytic -6.3187e+001 -1.5821e-002 2.2786e+003 2.4900e+001 3.5574e+001 + -analytic -6.3187e+1 -1.5821e-2 2.2786e+3 2.49e+1 3.5574e+1 # -Range: 0-300 Ru - Ru +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Ru++ - log_k 16.6701 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ru + Ru + 2 H+ + 0.5 O2 = H2O + Ru+2 + log_k 16.6701 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ru # Enthalpy of formation: 0 kJ/mol Ru(OH)3:H2O(am) - Ru(OH)3:H2O +3.0000 H+ = + 1.0000 Ru+++ + 4.0000 H2O - log_k 1.6338 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)3:H2O(am) + Ru(OH)3:H2O + 3 H+ = Ru+3 + 4 H2O + log_k 1.6338 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)3:H2O(am) # Enthalpy of formation: 0 kcal/mol RuBr3 - RuBr3 = + 1.0000 Ru+++ + 3.0000 Br- - log_k 3.1479 - -delta_H 0 # Not possible to calculate enthalpy of reaction RuBr3 + RuBr3 = Ru+3 + 3 Br- + log_k 3.1479 + -delta_H 0 # Not possible to calculate enthalpy of reaction RuBr3 # Enthalpy of formation: -147.76 kJ/mol RuCl3 - RuCl3 = + 1.0000 Ru+++ + 3.0000 Cl- - log_k 10.8215 - -delta_H 0 # Not possible to calculate enthalpy of reaction RuCl3 + RuCl3 = Ru+3 + 3 Cl- + log_k 10.8215 + -delta_H 0 # Not possible to calculate enthalpy of reaction RuCl3 # Enthalpy of formation: -221.291 kJ/mol RuI3 - RuI3 = + 1.0000 Ru+++ + 3.0000 I- - log_k -12.4614 - -delta_H 0 # Not possible to calculate enthalpy of reaction RuI3 + RuI3 = Ru+3 + 3 I- + log_k -12.4614 + -delta_H 0 # Not possible to calculate enthalpy of reaction RuI3 # Enthalpy of formation: -58.425 kJ/mol RuO2 - RuO2 +2.0000 H+ = + 1.0000 Ru(OH)2++ - log_k -5.4835 - -delta_H 0 # Not possible to calculate enthalpy of reaction RuO2 + RuO2 + 2 H+ = Ru(OH)2+2 + log_k -5.4835 + -delta_H 0 # Not possible to calculate enthalpy of reaction RuO2 # Enthalpy of formation: -307.233 kJ/mol RuO2:2H2O(am) - RuO2:2H2O +2.0000 H+ = + 1.0000 Ru(OH)2++ + 2.0000 H2O - log_k 0.9045 - -delta_H 0 # Not possible to calculate enthalpy of reaction RuO2:2H2O(am) + RuO2:2H2O + 2 H+ = Ru(OH)2+2 + 2 H2O + log_k 0.9045 + -delta_H 0 # Not possible to calculate enthalpy of reaction RuO2:2H2O(am) # Enthalpy of formation: 0 kcal/mol RuO4 - RuO4 = + 1.0000 RuO4 - log_k -0.9636 - -delta_H 6.305 kJ/mol # Calculated enthalpy of reaction RuO4 + RuO4 = RuO4 + log_k -0.9636 + -delta_H 6.305 kJ/mol # Calculated enthalpy of reaction RuO4 # Enthalpy of formation: -244.447 kJ/mol RuSe2 - RuSe2 +2.0000 H2O = + 1.0000 Ru(OH)2++ + 2.0000 H+ + 2.0000 Se-- - log_k -113.7236 - -delta_H 0 # Not possible to calculate enthalpy of reaction RuSe2 + RuSe2 + 2 H2O = Ru(OH)2+2 + 2 H+ + 2 Se-2 + log_k -113.7236 + -delta_H 0 # Not possible to calculate enthalpy of reaction RuSe2 # Enthalpy of formation: -146.274 kJ/mol Rutherfordine - UO2CO3 +1.0000 H+ = + 1.0000 HCO3- + 1.0000 UO2++ - log_k -4.1064 - -delta_H -19.4032 kJ/mol # Calculated enthalpy of reaction Rutherfordine + UO2CO3 + H+ = HCO3- + UO2+2 + log_k -4.1064 + -delta_H -19.4032 kJ/mol # Calculated enthalpy of reaction Rutherfordine # Enthalpy of formation: -1689.53 kJ/mol - -analytic -8.8224e+001 -3.1434e-002 2.6675e+003 3.4161e+001 4.1650e+001 + -analytic -8.8224e+1 -3.1434e-2 2.6675e+3 3.4161e+1 4.165e+1 # -Range: 0-300 Rutile - TiO2 +2.0000 H2O = + 1.0000 Ti(OH)4 - log_k -9.6452 - -delta_H 0 # Not possible to calculate enthalpy of reaction Rutile + TiO2 + 2 H2O = Ti(OH)4 + log_k -9.6452 + -delta_H 0 # Not possible to calculate enthalpy of reaction Rutile # Enthalpy of formation: -226.107 kcal/mol S - S +1.0000 H2O = + 0.5000 O2 + 1.0000 H+ + 1.0000 HS- - log_k -45.0980 - -delta_H 263.663 kJ/mol # Calculated enthalpy of reaction S + S + H2O = 0.5 O2 + H+ + HS- + log_k -45.098 + -delta_H 263.663 kJ/mol # Calculated enthalpy of reaction S # Enthalpy of formation: 0 kJ/mol - -analytic -8.8928e+001 -2.8454e-002 -1.1516e+004 3.6747e+001 -1.7966e+002 + -analytic -8.8928e+1 -2.8454e-2 -1.1516e+4 3.6747e+1 -1.7966e+2 # -Range: 0-300 Safflorite - CoAs2 +2.0000 H2O +1.0000 H+ +0.5000 O2 = + 1.0000 AsH3 + 1.0000 Co++ + 1.0000 H2AsO3- - log_k -3.6419 - -delta_H -52.7226 kJ/mol # Calculated enthalpy of reaction Safflorite + CoAs2 + 2 H2O + H+ + 0.5 O2 = AsH3 + Co+2 + H2AsO3- + log_k -3.6419 + -delta_H -52.7226 kJ/mol # Calculated enthalpy of reaction Safflorite # Enthalpy of formation: -23.087 kcal/mol Saleeite - Mg(UO2)2(PO4)2 +2.0000 H+ = + 1.0000 Mg++ + 2.0000 HPO4-- + 2.0000 UO2++ - log_k -19.4575 - -delta_H -110.816 kJ/mol # Calculated enthalpy of reaction Saleeite + Mg(UO2)2(PO4)2 + 2 H+ = Mg+2 + 2 HPO4-2 + 2 UO2+2 + log_k -19.4575 + -delta_H -110.816 kJ/mol # Calculated enthalpy of reaction Saleeite # Enthalpy of formation: -1189.61 kcal/mol - -analytic -6.0028e+001 -4.4391e-002 3.9168e+003 1.6428e+001 6.6533e+001 + -analytic -6.0028e+1 -4.4391e-2 3.9168e+3 1.6428e+1 6.6533e+1 # -Range: 0-200 Sanbornite - BaSi2O5 +2.0000 H+ = + 1.0000 Ba++ + 1.0000 H2O + 2.0000 SiO2 - log_k 9.4753 - -delta_H -31.0845 kJ/mol # Calculated enthalpy of reaction Sanbornite + BaSi2O5 + 2 H+ = Ba+2 + H2O + 2 SiO2 + log_k 9.4753 + -delta_H -31.0845 kJ/mol # Calculated enthalpy of reaction Sanbornite # Enthalpy of formation: -2547.8 kJ/mol - -analytic -2.5381e+001 1.2999e-002 1.2330e+004 2.1053e+000 -1.3913e+006 + -analytic -2.5381e+1 1.2999e-2 1.233e+4 2.1053e+0 -1.3913e+6 # -Range: 0-300 Sanidine_high - KAlSi3O8 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 K+ + 2.0000 H2O + 3.0000 SiO2 - log_k 0.9239 - -delta_H -35.0284 kJ/mol # Calculated enthalpy of reaction Sanidine_high + KAlSi3O8 + 4 H+ = Al+3 + K+ + 2 H2O + 3 SiO2 + log_k 0.9239 + -delta_H -35.0284 kJ/mol # Calculated enthalpy of reaction Sanidine_high # Enthalpy of formation: -946.538 kcal/mol - -analytic -3.4889e+000 1.4495e-002 1.2856e+004 -9.8978e+000 -1.6572e+006 + -analytic -3.4889e+0 1.4495e-2 1.2856e+4 -9.8978e+0 -1.6572e+6 # -Range: 0-300 Saponite-Ca - Ca.165Mg3Al.33Si3.67O10(OH)2 +7.3200 H+ = + 0.1650 Ca++ + 0.3300 Al+++ + 3.0000 Mg++ + 3.6700 SiO2 + 4.6600 H2O - log_k 26.2900 - -delta_H -207.971 kJ/mol # Calculated enthalpy of reaction Saponite-Ca + Ca.165Mg3Al.33Si3.67O10(OH)2 + 7.32 H+ = 0.165 Ca+2 + 0.33 Al+3 + 3 Mg+2 + 3.67 SiO2 + 4.66 H2O + log_k 26.29 + -delta_H -207.971 kJ/mol # Calculated enthalpy of reaction Saponite-Ca # Enthalpy of formation: -1436.51 kcal/mol - -analytic -4.6904e+001 6.2555e-003 2.2572e+004 5.3198e+000 -1.5725e+006 + -analytic -4.6904e+1 6.2555e-3 2.2572e+4 5.3198e+0 -1.5725e+6 # -Range: 0-300 Saponite-Cs - Cs.33Si3.67Al.33Mg3O10(OH)2 +7.3200 H+ = + 0.3300 Al+++ + 0.3300 Cs+ + 3.0000 Mg++ + 3.6700 SiO2 + 4.6600 H2O - log_k 25.8528 - -delta_H -195.407 kJ/mol # Calculated enthalpy of reaction Saponite-Cs + Cs.33Si3.67Al.33Mg3O10(OH)2 + 7.32 H+ = 0.33 Al+3 + 0.33 Cs+ + 3 Mg+2 + 3.67 SiO2 + 4.66 H2O + log_k 25.8528 + -delta_H -195.407 kJ/mol # Calculated enthalpy of reaction Saponite-Cs # Enthalpy of formation: -1438.44 kcal/mol - -analytic -7.7732e+001 -3.6418e-005 2.3346e+004 1.7578e+001 -1.6319e+006 + -analytic -7.7732e+1 -3.6418e-5 2.3346e+4 1.7578e+1 -1.6319e+6 # -Range: 0-300 Saponite-H - H.33Mg3Al.33Si3.67O10(OH)2 +6.9900 H+ = + 0.3300 Al+++ + 3.0000 Mg++ + 3.6700 SiO2 + 4.6600 H2O - log_k 25.3321 - -delta_H -200.235 kJ/mol # Calculated enthalpy of reaction Saponite-H + H.33Mg3Al.33Si3.67O10(OH)2 + 6.99 H+ = 0.33 Al+3 + 3 Mg+2 + 3.67 SiO2 + 4.66 H2O + log_k 25.3321 + -delta_H -200.235 kJ/mol # Calculated enthalpy of reaction Saponite-H # Enthalpy of formation: -1416.94 kcal/mol - -analytic -3.9828e+001 8.9566e-003 2.2165e+004 2.3941e+000 -1.5933e+006 + -analytic -3.9828e+1 8.9566e-3 2.2165e+4 2.3941e+0 -1.5933e+6 # -Range: 0-300 Saponite-K - K.33Mg3Al.33Si3.67O10(OH)2 +7.3200 H+ = + 0.3300 Al+++ + 0.3300 K+ + 3.0000 Mg++ + 3.6700 SiO2 + 4.6600 H2O - log_k 26.0075 - -delta_H -196.402 kJ/mol # Calculated enthalpy of reaction Saponite-K + K.33Mg3Al.33Si3.67O10(OH)2 + 7.32 H+ = 0.33 Al+3 + 0.33 K+ + 3 Mg+2 + 3.67 SiO2 + 4.66 H2O + log_k 26.0075 + -delta_H -196.402 kJ/mol # Calculated enthalpy of reaction Saponite-K # Enthalpy of formation: -1437.74 kcal/mol - -analytic 3.2113e+001 1.8392e-002 1.7918e+004 -2.2874e+001 -1.3542e+006 + -analytic 3.2113e+1 1.8392e-2 1.7918e+4 -2.2874e+1 -1.3542e+6 # -Range: 0-300 Saponite-Mg - Mg3.165Al.33Si3.67O10(OH)2 +7.3200 H+ = + 0.3300 Al+++ + 3.1650 Mg++ + 3.6700 SiO2 + 4.6600 H2O - log_k 26.2523 - -delta_H -210.822 kJ/mol # Calculated enthalpy of reaction Saponite-Mg + Mg3.165Al.33Si3.67O10(OH)2 + 7.32 H+ = 0.33 Al+3 + 3.165 Mg+2 + 3.67 SiO2 + 4.66 H2O + log_k 26.2523 + -delta_H -210.822 kJ/mol # Calculated enthalpy of reaction Saponite-Mg # Enthalpy of formation: -1432.79 kcal/mol - -analytic 9.8888e+000 1.4320e-002 1.9418e+004 -1.5259e+001 -1.3716e+006 + -analytic 9.8888e+0 1.432e-2 1.9418e+4 -1.5259e+1 -1.3716e+6 # -Range: 0-300 Saponite-Na - Na.33Mg3Al.33Si3.67O10(OH)2 +7.3200 H+ = + 0.3300 Al+++ + 0.3300 Na+ + 3.0000 Mg++ + 3.6700 SiO2 + 4.6600 H2O - log_k 26.3459 - -delta_H -201.401 kJ/mol # Calculated enthalpy of reaction Saponite-Na + Na.33Mg3Al.33Si3.67O10(OH)2 + 7.32 H+ = 0.33 Al+3 + 0.33 Na+ + 3 Mg+2 + 3.67 SiO2 + 4.66 H2O + log_k 26.3459 + -delta_H -201.401 kJ/mol # Calculated enthalpy of reaction Saponite-Na # Enthalpy of formation: -1435.61 kcal/mol - -analytic -6.7611e+001 4.7327e-003 2.3586e+004 1.2868e+001 -1.6493e+006 + -analytic -6.7611e+1 4.7327e-3 2.3586e+4 1.2868e+1 -1.6493e+6 # -Range: 0-300 Sb - Sb +1.5000 H2O +0.7500 O2 = + 1.0000 Sb(OH)3 - log_k 52.7918 - -delta_H -335.931 kJ/mol # Calculated enthalpy of reaction Sb + Sb + 1.5 H2O + 0.75 O2 = Sb(OH)3 + log_k 52.7918 + -delta_H -335.931 kJ/mol # Calculated enthalpy of reaction Sb # Enthalpy of formation: 0 kJ/mol Sb(OH)3 - Sb(OH)3 = + 1.0000 Sb(OH)3 - log_k -7.0953 - -delta_H 0 # Not possible to calculate enthalpy of reaction Sb(OH)3 + Sb(OH)3 = Sb(OH)3 + log_k -7.0953 + -delta_H 0 # Not possible to calculate enthalpy of reaction Sb(OH)3 # Enthalpy of formation: 0 kcal/mol Sb2O3 - Sb2O3 +3.0000 H2O = + 2.0000 Sb(OH)3 - log_k -8.9600 - -delta_H 0 # Not possible to calculate enthalpy of reaction Sb2O3 + Sb2O3 + 3 H2O = 2 Sb(OH)3 + log_k -8.96 + -delta_H 0 # Not possible to calculate enthalpy of reaction Sb2O3 # Enthalpy of formation: 0 kcal/mol - -analytic 2.3982e+000 -7.6326e-005 -3.3787e+003 0.0000e+000 0.0000e+000 + -analytic 2.3982e+0 -7.6326e-5 -3.3787e+3 0e+0 0e+0 # -Range: 0-300 Sb2O4 - Sb2O4 +3.0000 H2O = + 0.5000 O2 + 2.0000 Sb(OH)3 - log_k -39.6139 - -delta_H 211.121 kJ/mol # Calculated enthalpy of reaction Sb2O4 + Sb2O4 + 3 H2O = 0.5 O2 + 2 Sb(OH)3 + log_k -39.6139 + -delta_H 211.121 kJ/mol # Calculated enthalpy of reaction Sb2O4 # Enthalpy of formation: -907.251 kJ/mol Sb2O5 - Sb2O5 +3.0000 H2O = + 1.0000 O2 + 2.0000 Sb(OH)3 - log_k -46.9320 - -delta_H 269.763 kJ/mol # Calculated enthalpy of reaction Sb2O5 + Sb2O5 + 3 H2O = O2 + 2 Sb(OH)3 + log_k -46.932 + -delta_H 269.763 kJ/mol # Calculated enthalpy of reaction Sb2O5 # Enthalpy of formation: -971.96 kJ/mol Sb4O6(cubic) - Sb4O6 +6.0000 H2O = + 4.0000 Sb(OH)3 - log_k -19.6896 - -delta_H 59.898 kJ/mol # Calculated enthalpy of reaction Sb4O6(cubic) + Sb4O6 + 6 H2O = 4 Sb(OH)3 + log_k -19.6896 + -delta_H 59.898 kJ/mol # Calculated enthalpy of reaction Sb4O6(cubic) # Enthalpy of formation: -1440.02 kJ/mol Sb4O6(orthorhombic) - Sb4O6 +6.0000 H2O = + 4.0000 Sb(OH)3 - log_k -17.0442 - -delta_H 37.314 kJ/mol # Calculated enthalpy of reaction Sb4O6(orthorhombic) + Sb4O6 + 6 H2O = 4 Sb(OH)3 + log_k -17.0442 + -delta_H 37.314 kJ/mol # Calculated enthalpy of reaction Sb4O6(orthorhombic) # Enthalpy of formation: -1417.44 kJ/mol SbBr3 - SbBr3 +3.0000 H2O = + 1.0000 Sb(OH)3 + 3.0000 Br- + 3.0000 H+ - log_k 1.0554 - -delta_H -21.5871 kJ/mol # Calculated enthalpy of reaction SbBr3 + SbBr3 + 3 H2O = Sb(OH)3 + 3 Br- + 3 H+ + log_k 1.0554 + -delta_H -21.5871 kJ/mol # Calculated enthalpy of reaction SbBr3 # Enthalpy of formation: -259.197 kJ/mol SbCl3 - SbCl3 +3.0000 H2O = + 1.0000 Sb(OH)3 + 3.0000 Cl- + 3.0000 H+ - log_k 0.5878 - -delta_H -35.393 kJ/mol # Calculated enthalpy of reaction SbCl3 + SbCl3 + 3 H2O = Sb(OH)3 + 3 Cl- + 3 H+ + log_k 0.5878 + -delta_H -35.393 kJ/mol # Calculated enthalpy of reaction SbCl3 # Enthalpy of formation: -382.12 kJ/mol Sc - Sc +3.0000 H+ +0.7500 O2 = + 1.0000 Sc+++ + 1.5000 H2O - log_k 167.2700 - -delta_H -1033.87 kJ/mol # Calculated enthalpy of reaction Sc + Sc + 3 H+ + 0.75 O2 = Sc+3 + 1.5 H2O + log_k 167.27 + -delta_H -1033.87 kJ/mol # Calculated enthalpy of reaction Sc # Enthalpy of formation: 0 kJ/mol - -analytic -6.6922e+001 -2.9150e-002 5.4559e+004 2.4189e+001 8.5137e+002 + -analytic -6.6922e+1 -2.915e-2 5.4559e+4 2.4189e+1 8.5137e+2 # -Range: 0-300 Scacchite - MnCl2 = + 1.0000 Mn++ + 2.0000 Cl- - log_k 8.7785 - -delta_H -73.4546 kJ/mol # Calculated enthalpy of reaction Scacchite + MnCl2 = Mn+2 + 2 Cl- + log_k 8.7785 + -delta_H -73.4546 kJ/mol # Calculated enthalpy of reaction Scacchite # Enthalpy of formation: -481.302 kJ/mol - -analytic -2.3476e+002 -8.2437e-002 9.0088e+003 9.6128e+001 1.4064e+002 + -analytic -2.3476e+2 -8.2437e-2 9.0088e+3 9.6128e+1 1.4064e+2 # -Range: 0-300 Schoepite - UO3:2H2O +2.0000 H+ = + 1.0000 UO2++ + 3.0000 H2O - log_k 4.8333 - -delta_H -50.415 kJ/mol # Calculated enthalpy of reaction Schoepite + UO3:2H2O + 2 H+ = UO2+2 + 3 H2O + log_k 4.8333 + -delta_H -50.415 kJ/mol # Calculated enthalpy of reaction Schoepite # Enthalpy of formation: -1826.1 kJ/mol - -analytic 1.3645e+001 1.0884e-002 2.5412e+003 -8.3167e+000 3.9649e+001 + -analytic 1.3645e+1 1.0884e-2 2.5412e+3 -8.3167e+0 3.9649e+1 # -Range: 0-300 Schoepite-dehy(.393) - UO3:.393H2O +2.0000 H+ = + 1.0000 UO2++ + 1.3930 H2O - log_k 6.7243 - -delta_H -69.2728 kJ/mol # Calculated enthalpy of reaction Schoepite-dehy(.393) + UO3:.393H2O + 2 H+ = UO2+2 + 1.393 H2O + log_k 6.7243 + -delta_H -69.2728 kJ/mol # Calculated enthalpy of reaction Schoepite-dehy(.393) # Enthalpy of formation: -1347.9 kJ/mol - -analytic -5.6487e+001 -3.0358e-003 5.7044e+003 1.8179e+001 9.6887e+001 + -analytic -5.6487e+1 -3.0358e-3 5.7044e+3 1.8179e+1 9.6887e+1 # -Range: 0-200 Schoepite-dehy(.648) - UO3:.648H2O +2.0000 H+ = + 1.0000 UO2++ + 1.6480 H2O - log_k 6.2063 - -delta_H -65.4616 kJ/mol # Calculated enthalpy of reaction Schoepite-dehy(.648) + UO3:.648H2O + 2 H+ = UO2+2 + 1.648 H2O + log_k 6.2063 + -delta_H -65.4616 kJ/mol # Calculated enthalpy of reaction Schoepite-dehy(.648) # Enthalpy of formation: -1424.6 kJ/mol - -analytic -6.3010e+001 -3.0276e-003 5.8033e+003 2.0471e+001 9.8569e+001 + -analytic -6.301e+1 -3.0276e-3 5.8033e+3 2.0471e+1 9.8569e+1 # -Range: 0-200 Schoepite-dehy(.85) - UO3:.85H2O +2.0000 H+ = + 1.0000 UO2++ + 1.8500 H2O - log_k 5.0970 - -delta_H -56.4009 kJ/mol # Calculated enthalpy of reaction Schoepite-dehy(.85) + UO3:.85H2O + 2 H+ = UO2+2 + 1.85 H2O + log_k 5.097 + -delta_H -56.4009 kJ/mol # Calculated enthalpy of reaction Schoepite-dehy(.85) # Enthalpy of formation: -1491.4 kJ/mol - -analytic -6.7912e+001 -3.0420e-003 5.5690e+003 2.2323e+001 9.4593e+001 + -analytic -6.7912e+1 -3.042e-3 5.569e+3 2.2323e+1 9.4593e+1 # -Range: 0-200 Schoepite-dehy(.9) - UO3:.9H2O +2.0000 H+ = + 1.0000 UO2++ + 1.9000 H2O - log_k 5.0167 - -delta_H -55.7928 kJ/mol # Calculated enthalpy of reaction Schoepite-dehy(.9) + UO3:.9H2O + 2 H+ = UO2+2 + 1.9 H2O + log_k 5.0167 + -delta_H -55.7928 kJ/mol # Calculated enthalpy of reaction Schoepite-dehy(.9) # Enthalpy of formation: -1506.3 kJ/mol - -analytic -1.5998e+001 -2.0144e-003 3.2910e+003 4.2751e+000 5.1358e+001 + -analytic -1.5998e+1 -2.0144e-3 3.291e+3 4.2751e+0 5.1358e+1 # -Range: 0-300 Schoepite-dehy(1.0) - UO3:H2O +2.0000 H+ = + 1.0000 UO2++ + 2.0000 H2O - log_k 5.1031 - -delta_H -57.4767 kJ/mol # Calculated enthalpy of reaction Schoepite-dehy(1.0) + UO3:H2O + 2 H+ = UO2+2 + 2 H2O + log_k 5.1031 + -delta_H -57.4767 kJ/mol # Calculated enthalpy of reaction Schoepite-dehy(1.0) # Enthalpy of formation: -1533.2 kJ/mol - -analytic -7.2080e+001 -3.0503e-003 5.8024e+003 2.3695e+001 9.8557e+001 + -analytic -7.208e+1 -3.0503e-3 5.8024e+3 2.3695e+1 9.8557e+1 # -Range: 0-200 Scolecite - CaAl2Si3O10:3H2O +8.0000 H+ = + 1.0000 Ca++ + 2.0000 Al+++ + 3.0000 SiO2 + 7.0000 H2O - log_k 15.8767 - -delta_H -204.93 kJ/mol # Calculated enthalpy of reaction Scolecite + CaAl2Si3O10:3H2O + 8 H+ = Ca+2 + 2 Al+3 + 3 SiO2 + 7 H2O + log_k 15.8767 + -delta_H -204.93 kJ/mol # Calculated enthalpy of reaction Scolecite # Enthalpy of formation: -6048.92 kJ/mol - -analytic 5.0656e+001 -3.1485e-003 1.0574e+004 -2.5663e+001 -5.2769e+005 + -analytic 5.0656e+1 -3.1485e-3 1.0574e+4 -2.5663e+1 -5.2769e+5 # -Range: 0-300 Se - Se +1.0000 H2O +1.0000 O2 = + 1.0000 SeO3-- + 2.0000 H+ - log_k 26.1436 - -delta_H -211.221 kJ/mol # Calculated enthalpy of reaction Se + Se + H2O + O2 = SeO3-2 + 2 H+ + log_k 26.1436 + -delta_H -211.221 kJ/mol # Calculated enthalpy of reaction Se # Enthalpy of formation: 0 kJ/mol - -analytic -9.5144e+001 -6.5681e-002 1.0736e+004 4.2358e+001 1.6755e+002 + -analytic -9.5144e+1 -6.5681e-2 1.0736e+4 4.2358e+1 1.6755e+2 # -Range: 0-300 Se2O5 - Se2O5 +2.0000 H2O = + 1.0000 SeO3-- + 1.0000 SeO4-- + 4.0000 H+ - log_k 9.5047 - -delta_H -123.286 kJ/mol # Calculated enthalpy of reaction Se2O5 + Se2O5 + 2 H2O = SeO3-2 + SeO4-2 + 4 H+ + log_k 9.5047 + -delta_H -123.286 kJ/mol # Calculated enthalpy of reaction Se2O5 # Enthalpy of formation: -98.8 kcal/mol - -analytic 1.1013e+002 -2.4491e-002 -5.6147e+002 -3.6960e+001 -9.5719e+000 + -analytic 1.1013e+2 -2.4491e-2 -5.6147e+2 -3.696e+1 -9.5719e+0 # -Range: 0-200 SeCl4 - SeCl4 +3.0000 H2O = + 1.0000 SeO3-- + 4.0000 Cl- + 6.0000 H+ - log_k 14.4361 - -delta_H -131.298 kJ/mol # Calculated enthalpy of reaction SeCl4 + SeCl4 + 3 H2O = SeO3-2 + 4 Cl- + 6 H+ + log_k 14.4361 + -delta_H -131.298 kJ/mol # Calculated enthalpy of reaction SeCl4 # Enthalpy of formation: -45.1 kcal/mol - -analytic -4.0215e+002 -1.8323e-001 1.3074e+004 1.7267e+002 2.0413e+002 + -analytic -4.0215e+2 -1.8323e-1 1.3074e+4 1.7267e+2 2.0413e+2 # -Range: 0-300 SeO3 - SeO3 +1.0000 H2O = + 1.0000 SeO4-- + 2.0000 H+ - log_k 19.2015 - -delta_H -143.022 kJ/mol # Calculated enthalpy of reaction SeO3 + SeO3 + H2O = SeO4-2 + 2 H+ + log_k 19.2015 + -delta_H -143.022 kJ/mol # Calculated enthalpy of reaction SeO3 # Enthalpy of formation: -40.7 kcal/mol - -analytic -1.4199e+002 -6.4398e-002 9.5505e+003 5.9941e+001 1.4907e+002 + -analytic -1.4199e+2 -6.4398e-2 9.5505e+3 5.9941e+1 1.4907e+2 # -Range: 0-300 Sellaite - MgF2 = + 1.0000 Mg++ + 2.0000 F- - log_k -9.3843 - -delta_H -12.4547 kJ/mol # Calculated enthalpy of reaction Sellaite + MgF2 = Mg+2 + 2 F- + log_k -9.3843 + -delta_H -12.4547 kJ/mol # Calculated enthalpy of reaction Sellaite # Enthalpy of formation: -1124.2 kJ/mol - -analytic -2.6901e+002 -8.5487e-002 6.8237e+003 1.0595e+002 1.0656e+002 + -analytic -2.6901e+2 -8.5487e-2 6.8237e+3 1.0595e+2 1.0656e+2 # -Range: 0-300 Sepiolite - Mg4Si6O15(OH)2:6H2O +8.0000 H+ = + 4.0000 Mg++ + 6.0000 SiO2 + 11.0000 H2O - log_k 30.4439 - -delta_H -157.339 kJ/mol # Calculated enthalpy of reaction Sepiolite + Mg4Si6O15(OH)2:6H2O + 8 H+ = 4 Mg+2 + 6 SiO2 + 11 H2O + log_k 30.4439 + -delta_H -157.339 kJ/mol # Calculated enthalpy of reaction Sepiolite # Enthalpy of formation: -2418 kcal/mol - -analytic 1.8690e+001 4.7544e-002 2.6765e+004 -2.5301e+001 -2.6498e+006 + -analytic 1.869e+1 4.7544e-2 2.6765e+4 -2.5301e+1 -2.6498e+6 # -Range: 0-300 Shcherbinaite - V2O5 +2.0000 H+ = + 1.0000 H2O + 2.0000 VO2+ - log_k -1.4520 - -delta_H -34.7917 kJ/mol # Calculated enthalpy of reaction Shcherbinaite + V2O5 + 2 H+ = H2O + 2 VO2+ + log_k -1.452 + -delta_H -34.7917 kJ/mol # Calculated enthalpy of reaction Shcherbinaite # Enthalpy of formation: -1550.6 kJ/mol - -analytic -1.4791e+002 -2.2464e-002 6.6865e+003 5.2832e+001 1.0438e+002 + -analytic -1.4791e+2 -2.2464e-2 6.6865e+3 5.2832e+1 1.0438e+2 # -Range: 0-300 Si - Si +1.0000 O2 = + 1.0000 SiO2 - log_k 148.9059 - -delta_H -865.565 kJ/mol # Calculated enthalpy of reaction Si + Si + O2 = SiO2 + log_k 148.9059 + -delta_H -865.565 kJ/mol # Calculated enthalpy of reaction Si # Enthalpy of formation: 0 kJ/mol - -analytic -5.7245e+002 -7.6302e-002 8.3516e+004 2.0045e+002 -2.8494e+006 + -analytic -5.7245e+2 -7.6302e-2 8.3516e+4 2.0045e+2 -2.8494e+6 # -Range: 0-300 SiO2(am) - SiO2 = + 1.0000 SiO2 - log_k -2.7136 - -delta_H 20.0539 kJ/mol # Calculated enthalpy of reaction SiO2(am) + SiO2 = SiO2 + log_k -2.7136 + -delta_H 20.0539 kJ/mol # Calculated enthalpy of reaction SiO2(am) # Enthalpy of formation: -214.568 kcal/mol - -analytic 1.2109e+000 7.0767e-003 2.3634e+003 -3.4449e+000 -4.8591e+005 + -analytic 1.2109e+0 7.0767e-3 2.3634e+3 -3.4449e+0 -4.8591e+5 # -Range: 0-300 Siderite - FeCO3 +1.0000 H+ = + 1.0000 Fe++ + 1.0000 HCO3- - log_k -0.1920 - -delta_H -32.5306 kJ/mol # Calculated enthalpy of reaction Siderite + FeCO3 + H+ = Fe+2 + HCO3- + log_k -0.192 + -delta_H -32.5306 kJ/mol # Calculated enthalpy of reaction Siderite # Enthalpy of formation: -179.173 kcal/mol - -analytic -1.5990e+002 -4.9361e-002 5.4947e+003 6.3032e+001 8.5787e+001 + -analytic -1.599e+2 -4.9361e-2 5.4947e+3 6.3032e+1 8.5787e+1 # -Range: 0-300 Sillimanite - Al2SiO5 +6.0000 H+ = + 1.0000 SiO2 + 2.0000 Al+++ + 3.0000 H2O - log_k 16.3080 - -delta_H -238.442 kJ/mol # Calculated enthalpy of reaction Sillimanite + Al2SiO5 + 6 H+ = SiO2 + 2 Al+3 + 3 H2O + log_k 16.308 + -delta_H -238.442 kJ/mol # Calculated enthalpy of reaction Sillimanite # Enthalpy of formation: -615.099 kcal/mol - -analytic -7.1610e+001 -3.2196e-002 1.2493e+004 2.2449e+001 1.9496e+002 + -analytic -7.161e+1 -3.2196e-2 1.2493e+4 2.2449e+1 1.9496e+2 # -Range: 0-300 Sklodowskite - Mg(H3O)2(UO2)2(SiO4)2:4H2O +6.0000 H+ = + 1.0000 Mg++ + 2.0000 SiO2 + 2.0000 UO2++ + 10.0000 H2O - log_k 13.7915 - -delta_H 0 # Not possible to calculate enthalpy of reaction Sklodowskite + Mg(H3O)2(UO2)2(SiO4)2:4H2O + 6 H+ = Mg+2 + 2 SiO2 + 2 UO2+2 + 10 H2O + log_k 13.7915 + -delta_H 0 # Not possible to calculate enthalpy of reaction Sklodowskite # Enthalpy of formation: 0 kcal/mol Sm - Sm +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Sm++ - log_k 133.1614 - -delta_H -783.944 kJ/mol # Calculated enthalpy of reaction Sm + Sm + 2 H+ + 0.5 O2 = H2O + Sm+2 + log_k 133.1614 + -delta_H -783.944 kJ/mol # Calculated enthalpy of reaction Sm # Enthalpy of formation: 0 kJ/mol - -analytic -7.1599e+001 -2.0083e-002 4.2693e+004 2.7291e+001 6.6621e+002 + -analytic -7.1599e+1 -2.0083e-2 4.2693e+4 2.7291e+1 6.6621e+2 # -Range: 0-300 Sm(OH)3 - Sm(OH)3 +3.0000 H+ = + 1.0000 Sm+++ + 3.0000 H2O - log_k 16.4852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Sm(OH)3 + Sm(OH)3 + 3 H+ = Sm+3 + 3 H2O + log_k 16.4852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Sm(OH)3 # Enthalpy of formation: 0 kcal/mol Sm(OH)3(am) - Sm(OH)3 +3.0000 H+ = + 1.0000 Sm+++ + 3.0000 H2O - log_k 18.5852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Sm(OH)3(am) + Sm(OH)3 + 3 H+ = Sm+3 + 3 H2O + log_k 18.5852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Sm(OH)3(am) # Enthalpy of formation: 0 kcal/mol Sm2(CO3)3 - Sm2(CO3)3 +3.0000 H+ = + 2.0000 Sm+++ + 3.0000 HCO3- - log_k -3.5136 - -delta_H 0 # Not possible to calculate enthalpy of reaction Sm2(CO3)3 + Sm2(CO3)3 + 3 H+ = 2 Sm+3 + 3 HCO3- + log_k -3.5136 + -delta_H 0 # Not possible to calculate enthalpy of reaction Sm2(CO3)3 # Enthalpy of formation: 0 kcal/mol Sm2(SO4)3 - Sm2(SO4)3 = + 2.0000 Sm+++ + 3.0000 SO4-- - log_k -9.8000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Sm2(SO4)3 + Sm2(SO4)3 = 2 Sm+3 + 3 SO4-2 + log_k -9.8 + -delta_H 0 # Not possible to calculate enthalpy of reaction Sm2(SO4)3 # Enthalpy of formation: 0 kcal/mol Sm2O3 - Sm2O3 +6.0000 H+ = + 2.0000 Sm+++ + 3.0000 H2O - log_k 42.9000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Sm2O3 + Sm2O3 + 6 H+ = 2 Sm+3 + 3 H2O + log_k 42.9 + -delta_H 0 # Not possible to calculate enthalpy of reaction Sm2O3 # Enthalpy of formation: 0 kcal/mol SmF3:.5H2O - SmF3:.5H2O = + 0.5000 H2O + 1.0000 Sm+++ + 3.0000 F- - log_k -17.5000 - -delta_H 0 # Not possible to calculate enthalpy of reaction SmF3:.5H2O + SmF3:.5H2O = 0.5 H2O + Sm+3 + 3 F- + log_k -17.5 + -delta_H 0 # Not possible to calculate enthalpy of reaction SmF3:.5H2O # Enthalpy of formation: 0 kcal/mol SmPO4:10H2O - SmPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 Sm+++ + 10.0000 H2O - log_k -12.1782 - -delta_H 0 # Not possible to calculate enthalpy of reaction SmPO4:10H2O + SmPO4:10H2O + H+ = HPO4-2 + Sm+3 + 10 H2O + log_k -12.1782 + -delta_H 0 # Not possible to calculate enthalpy of reaction SmPO4:10H2O # Enthalpy of formation: 0 kcal/mol Smectite-high-Fe-Mg # Ca.025Na.1K.2Fe++.5Fe+++.2Mg1.15Al1.25Si3.5H2O12 +8.0000 H+ = + 0.0250 Ca++ + 0.1000 Na+ + 0.2000 Fe+++ + 0.2000 K+ + 0.5000 Fe++ + 1.1500 Mg++ + 1.2500 Al+++ + 3.5000 SiO2 + 5.0000 H2O - Ca.025Na.1K.2Fe.5Fe.2Mg1.15Al1.25Si3.5H2O12 +8.0000 H+ = + 0.0250 Ca++ + 0.1000 Na+ + 0.2000 Fe+++ + 0.2000 K+ + 0.5000 Fe++ + 1.1500 Mg++ + 1.2500 Al+++ + 3.5000 SiO2 + 5.0000 H2O - log_k 17.4200 - -delta_H -199.841 kJ/mol # Calculated enthalpy of reaction Smectite-high-Fe-Mg + Ca.025Na.1K.2Fe.5Fe.2Mg1.15Al1.25Si3.5H2O12 + 8 H+ = 0.025 Ca+2 + 0.1 Na+ + 0.2 Fe+3 + 0.2 K+ + 0.5 Fe+2 + 1.15 Mg+2 + 1.25 Al+3 + 3.5 SiO2 + 5 H2O + log_k 17.42 + -delta_H -199.841 kJ/mol # Calculated enthalpy of reaction Smectite-high-Fe-Mg # Enthalpy of formation: -1351.39 kcal/mol - -analytic -9.6102e+000 1.2551e-003 1.8157e+004 -7.9862e+000 -1.3005e+006 + -analytic -9.6102e+0 1.2551e-3 1.8157e+4 -7.9862e+0 -1.3005e+6 # -Range: 0-300 Smectite-low-Fe-Mg # Ca.02Na.15K.2Fe++.29Fe+++.16Mg.9Al1.25Si3.75H2O1 +7.0000 H+ = + 0.0200 Ca++ + 0.1500 Na+ + 0.1600 Fe+++ + 0.2000 K+ + 0.2900 Fe++ + 0.9000 Mg++ + 1.2500 Al+++ + 3.7500 SiO2 + 4.5000 H2O - Ca.02Na.15K.2Fe.29Fe.16Mg.9Al1.25Si3.75H2O12 +7.0000 H+ = + 0.0200 Ca++ + 0.1500 Na+ + 0.1600 Fe+++ + 0.2000 K+ + 0.2900 Fe++ + 0.9000 Mg++ + 1.2500 Al+++ + 3.7500 SiO2 + 4.5000 H2O - log_k 11.0405 - -delta_H -144.774 kJ/mol # Calculated enthalpy of reaction Smectite-low-Fe-Mg + Ca.02Na.15K.2Fe.29Fe.16Mg.9Al1.25Si3.75H2O12 + 7 H+ = 0.02 Ca+2 + 0.15 Na+ + 0.16 Fe+3 + 0.2 K+ + 0.29 Fe+2 + 0.9 Mg+2 + 1.25 Al+3 + 3.75 SiO2 + 4.5 H2O + log_k 11.0405 + -delta_H -144.774 kJ/mol # Calculated enthalpy of reaction Smectite-low-Fe-Mg # Enthalpy of formation: -1352.12 kcal/mol - -analytic -1.7003e+001 6.9848e-003 1.8359e+004 -6.8896e+000 -1.6637e+006 + -analytic -1.7003e+1 6.9848e-3 1.8359e+4 -6.8896e+0 -1.6637e+6 # -Range: 0-300 Smithsonite - ZnCO3 +1.0000 H+ = + 1.0000 HCO3- + 1.0000 Zn++ - log_k 0.4633 - -delta_H -30.5348 kJ/mol # Calculated enthalpy of reaction Smithsonite + ZnCO3 + H+ = HCO3- + Zn+2 + log_k 0.4633 + -delta_H -30.5348 kJ/mol # Calculated enthalpy of reaction Smithsonite # Enthalpy of formation: -194.26 kcal/mol - -analytic -1.6452e+002 -5.0231e-002 5.5925e+003 6.5139e+001 8.7314e+001 + -analytic -1.6452e+2 -5.0231e-2 5.5925e+3 6.5139e+1 8.7314e+1 # -Range: 0-300 Sn - Sn +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Sn++ - log_k 47.8615 - -delta_H -288.558 kJ/mol # Calculated enthalpy of reaction Sn + Sn + 2 H+ + 0.5 O2 = H2O + Sn+2 + log_k 47.8615 + -delta_H -288.558 kJ/mol # Calculated enthalpy of reaction Sn # Enthalpy of formation: 0 kcal/mol - -analytic -1.3075e+002 -3.3807e-002 1.9548e+004 5.0382e+001 -1.3868e+005 + -analytic -1.3075e+2 -3.3807e-2 1.9548e+4 5.0382e+1 -1.3868e+5 # -Range: 0-300 Sn(OH)2 - Sn(OH)2 +2.0000 H+ = + 1.0000 Sn++ + 2.0000 H2O - log_k 1.8400 - -delta_H -19.6891 kJ/mol # Calculated enthalpy of reaction Sn(OH)2 + Sn(OH)2 + 2 H+ = Sn+2 + 2 H2O + log_k 1.84 + -delta_H -19.6891 kJ/mol # Calculated enthalpy of reaction Sn(OH)2 # Enthalpy of formation: -560.774 kJ/mol - -analytic -6.1677e+001 -5.3258e-003 3.3656e+003 2.1748e+001 5.7174e+001 + -analytic -6.1677e+1 -5.3258e-3 3.3656e+3 2.1748e+1 5.7174e+1 # -Range: 0-200 Sn(SO4)2 - Sn(SO4)2 = + 1.0000 Sn++++ + 2.0000 SO4-- - log_k 16.0365 - -delta_H -159.707 kJ/mol # Calculated enthalpy of reaction Sn(SO4)2 + Sn(SO4)2 = Sn+4 + 2 SO4-2 + log_k 16.0365 + -delta_H -159.707 kJ/mol # Calculated enthalpy of reaction Sn(SO4)2 # Enthalpy of formation: -389.4 kcal/mol - -analytic 1.7787e+001 -5.1758e-002 3.7671e+003 4.1861e-001 6.3965e+001 + -analytic 1.7787e+1 -5.1758e-2 3.7671e+3 4.1861e-1 6.3965e+1 # -Range: 0-200 Sn3S4 - Sn3S4 +4.0000 H+ = + 1.0000 Sn++++ + 2.0000 Sn++ + 4.0000 HS- - log_k -61.9790 - -delta_H 318.524 kJ/mol # Calculated enthalpy of reaction Sn3S4 + Sn3S4 + 4 H+ = Sn+4 + 2 Sn+2 + 4 HS- + log_k -61.979 + -delta_H 318.524 kJ/mol # Calculated enthalpy of reaction Sn3S4 # Enthalpy of formation: -88.5 kcal/mol - -analytic -8.1325e+001 -7.4589e-002 -1.7953e+004 4.1138e+001 -3.0484e+002 + -analytic -8.1325e+1 -7.4589e-2 -1.7953e+4 4.1138e+1 -3.0484e+2 # -Range: 0-200 SnBr2 - SnBr2 = + 1.0000 Sn++ + 2.0000 Br- - log_k -1.4369 - -delta_H 8.24248 kJ/mol # Calculated enthalpy of reaction SnBr2 + SnBr2 = Sn+2 + 2 Br- + log_k -1.4369 + -delta_H 8.24248 kJ/mol # Calculated enthalpy of reaction SnBr2 # Enthalpy of formation: -62.15 kcal/mol - -analytic 2.5384e+001 -1.7350e-002 -2.6653e+003 -5.1400e+000 -4.5269e+001 + -analytic 2.5384e+1 -1.735e-2 -2.6653e+3 -5.14e+0 -4.5269e+1 # -Range: 0-200 SnBr4 - SnBr4 = + 1.0000 Sn++++ + 4.0000 Br- - log_k 11.1272 - -delta_H -78.3763 kJ/mol # Calculated enthalpy of reaction SnBr4 + SnBr4 = Sn+4 + 4 Br- + log_k 11.1272 + -delta_H -78.3763 kJ/mol # Calculated enthalpy of reaction SnBr4 # Enthalpy of formation: -377.391 kJ/mol - -analytic 1.3516e+001 -5.5193e-002 -8.1888e+001 5.7935e+000 -1.3940e+000 + -analytic 1.3516e+1 -5.5193e-2 -8.1888e+1 5.7935e+0 -1.394e+0 # -Range: 0-200 SnCl2 - SnCl2 = + 1.0000 Sn++ + 2.0000 Cl- - log_k 0.3225 - -delta_H -11.9913 kJ/mol # Calculated enthalpy of reaction SnCl2 + SnCl2 = Sn+2 + 2 Cl- + log_k 0.3225 + -delta_H -11.9913 kJ/mol # Calculated enthalpy of reaction SnCl2 # Enthalpy of formation: -79.1 kcal/mol - -analytic 7.9717e+000 -2.1475e-002 -1.1676e+003 1.0749e+000 -1.9829e+001 + -analytic 7.9717e+0 -2.1475e-2 -1.1676e+3 1.0749e+0 -1.9829e+1 # -Range: 0-200 SnSO4 - SnSO4 = + 1.0000 SO4-- + 1.0000 Sn++ - log_k -23.9293 - -delta_H 96.232 kJ/mol # Calculated enthalpy of reaction SnSO4 + SnSO4 = SO4-2 + Sn+2 + log_k -23.9293 + -delta_H 96.232 kJ/mol # Calculated enthalpy of reaction SnSO4 # Enthalpy of formation: -242.5 kcal/mol - -analytic 3.0046e+001 -1.4238e-002 -7.5915e+003 -9.8122e+000 -1.2892e+002 + -analytic 3.0046e+1 -1.4238e-2 -7.5915e+3 -9.8122e+0 -1.2892e+2 # -Range: 0-200 SnSe - SnSe = + 1.0000 Se-- + 1.0000 Sn++ - log_k -32.9506 - -delta_H 0 # Not possible to calculate enthalpy of reaction SnSe + SnSe = Se-2 + Sn+2 + log_k -32.9506 + -delta_H 0 # Not possible to calculate enthalpy of reaction SnSe # Enthalpy of formation: -21.2 kcal/mol - -analytic 4.2342e+000 9.5462e-004 -8.0009e+003 -4.2997e+000 -1.3587e+002 + -analytic 4.2342e+0 9.5462e-4 -8.0009e+3 -4.2997e+0 -1.3587e+2 # -Range: 0-200 SnSe2 - SnSe2 = + 1.0000 Sn++++ + 2.0000 Se-- - log_k -66.6570 - -delta_H 0 # Not possible to calculate enthalpy of reaction SnSe2 + SnSe2 = Sn+4 + 2 Se-2 + log_k -66.657 + -delta_H 0 # Not possible to calculate enthalpy of reaction SnSe2 # Enthalpy of formation: -29.8 kcal/mol - -analytic -3.6819e+001 -2.0966e-002 -1.5197e+004 1.1070e+001 -2.5806e+002 + -analytic -3.6819e+1 -2.0966e-2 -1.5197e+4 1.107e+1 -2.5806e+2 # -Range: 0-200 Soddyite - (UO2)2SiO4:2H2O +4.0000 H+ = + 1.0000 SiO2 + 2.0000 UO2++ + 4.0000 H2O - log_k 0.3920 - -delta_H 0 # Not possible to calculate enthalpy of reaction Soddyite + (UO2)2SiO4:2H2O + 4 H+ = SiO2 + 2 UO2+2 + 4 H2O + log_k 0.392 + -delta_H 0 # Not possible to calculate enthalpy of reaction Soddyite # Enthalpy of formation: 0 kcal/mol Sphaerocobaltite - CoCO3 +1.0000 H+ = + 1.0000 Co++ + 1.0000 HCO3- - log_k -0.2331 - -delta_H -30.7064 kJ/mol # Calculated enthalpy of reaction Sphaerocobaltite + CoCO3 + H+ = Co+2 + HCO3- + log_k -0.2331 + -delta_H -30.7064 kJ/mol # Calculated enthalpy of reaction Sphaerocobaltite # Enthalpy of formation: -171.459 kcal/mol - -analytic -1.5709e+002 -4.8957e-002 5.3158e+003 6.2075e+001 8.2995e+001 + -analytic -1.5709e+2 -4.8957e-2 5.3158e+3 6.2075e+1 8.2995e+1 # -Range: 0-300 Sphalerite - ZnS +1.0000 H+ = + 1.0000 HS- + 1.0000 Zn++ - log_k -11.4400 - -delta_H 35.5222 kJ/mol # Calculated enthalpy of reaction Sphalerite + ZnS + H+ = HS- + Zn+2 + log_k -11.44 + -delta_H 35.5222 kJ/mol # Calculated enthalpy of reaction Sphalerite # Enthalpy of formation: -49 kcal/mol - -analytic -1.5497e+002 -4.8953e-002 1.7850e+003 6.1472e+001 2.7899e+001 + -analytic -1.5497e+2 -4.8953e-2 1.785e+3 6.1472e+1 2.7899e+1 # -Range: 0-300 Spinel - Al2MgO4 +8.0000 H+ = + 1.0000 Mg++ + 2.0000 Al+++ + 4.0000 H2O - log_k 37.6295 - -delta_H -398.108 kJ/mol # Calculated enthalpy of reaction Spinel + Al2MgO4 + 8 H+ = Mg+2 + 2 Al+3 + 4 H2O + log_k 37.6295 + -delta_H -398.108 kJ/mol # Calculated enthalpy of reaction Spinel # Enthalpy of formation: -546.847 kcal/mol - -analytic -3.3895e+002 -8.3595e-002 2.9251e+004 1.2260e+002 4.5654e+002 + -analytic -3.3895e+2 -8.3595e-2 2.9251e+4 1.226e+2 4.5654e+2 # -Range: 0-300 Spinel-Co - Co3O4 +8.0000 H+ = + 1.0000 Co++ + 2.0000 Co+++ + 4.0000 H2O - log_k -6.4852 - -delta_H -126.415 kJ/mol # Calculated enthalpy of reaction Spinel-Co + Co3O4 + 8 H+ = Co+2 + 2 Co+3 + 4 H2O + log_k -6.4852 + -delta_H -126.415 kJ/mol # Calculated enthalpy of reaction Spinel-Co # Enthalpy of formation: -891 kJ/mol - -analytic -3.2239e+002 -8.0782e-002 1.4635e+004 1.1755e+002 2.2846e+002 + -analytic -3.2239e+2 -8.0782e-2 1.4635e+4 1.1755e+2 2.2846e+2 # -Range: 0-300 Spodumene - LiAlSi2O6 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 Li+ + 2.0000 H2O + 2.0000 SiO2 - log_k 6.9972 - -delta_H -89.1817 kJ/mol # Calculated enthalpy of reaction Spodumene + LiAlSi2O6 + 4 H+ = Al+3 + Li+ + 2 H2O + 2 SiO2 + log_k 6.9972 + -delta_H -89.1817 kJ/mol # Calculated enthalpy of reaction Spodumene # Enthalpy of formation: -3054.75 kJ/mol - -analytic -9.8111e+000 2.1191e-003 9.6920e+003 -3.0484e+000 -7.8822e+005 + -analytic -9.8111e+0 2.1191e-3 9.692e+3 -3.0484e+0 -7.8822e+5 # -Range: 0-300 Sr - Sr +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Sr++ - log_k 141.7816 - -delta_H -830.679 kJ/mol # Calculated enthalpy of reaction Sr + Sr + 2 H+ + 0.5 O2 = H2O + Sr+2 + log_k 141.7816 + -delta_H -830.679 kJ/mol # Calculated enthalpy of reaction Sr # Enthalpy of formation: 0 kJ/mol - -analytic -1.6271e+002 -3.1212e-002 5.1520e+004 5.9178e+001 -4.8390e+005 + -analytic -1.6271e+2 -3.1212e-2 5.152e+4 5.9178e+1 -4.839e+5 # -Range: 0-300 Sr(NO3)2 - Sr(NO3)2 = + 1.0000 Sr++ + 2.0000 NO3- - log_k 1.1493 - -delta_H 13.7818 kJ/mol # Calculated enthalpy of reaction Sr(NO3)2 + Sr(NO3)2 = Sr+2 + 2 NO3- + log_k 1.1493 + -delta_H 13.7818 kJ/mol # Calculated enthalpy of reaction Sr(NO3)2 # Enthalpy of formation: -978.311 kJ/mol - -analytic 2.8914e+000 -1.2487e-002 -1.4872e+003 2.8124e+000 -2.5256e+001 + -analytic 2.8914e+0 -1.2487e-2 -1.4872e+3 2.8124e+0 -2.5256e+1 # -Range: 0-200 Sr(NO3)2:4H2O - Sr(NO3)2:4H2O = + 1.0000 Sr++ + 2.0000 NO3- + 4.0000 H2O - log_k 0.6976 - -delta_H 47.9045 kJ/mol # Calculated enthalpy of reaction Sr(NO3)2:4H2O + Sr(NO3)2:4H2O = Sr+2 + 2 NO3- + 4 H2O + log_k 0.6976 + -delta_H 47.9045 kJ/mol # Calculated enthalpy of reaction Sr(NO3)2:4H2O # Enthalpy of formation: -2155.79 kJ/mol - -analytic -8.4518e+001 -9.1155e-003 1.0856e+003 3.4061e+001 1.8464e+001 + -analytic -8.4518e+1 -9.1155e-3 1.0856e+3 3.4061e+1 1.8464e+1 # -Range: 0-200 Sr(OH)2 - Sr(OH)2 +2.0000 H+ = + 1.0000 Sr++ + 2.0000 H2O - log_k 27.5229 - -delta_H -153.692 kJ/mol # Calculated enthalpy of reaction Sr(OH)2 + Sr(OH)2 + 2 H+ = Sr+2 + 2 H2O + log_k 27.5229 + -delta_H -153.692 kJ/mol # Calculated enthalpy of reaction Sr(OH)2 # Enthalpy of formation: -968.892 kJ/mol - -analytic -5.1871e+001 -2.9123e-003 1.0175e+004 1.8643e+001 1.7280e+002 + -analytic -5.1871e+1 -2.9123e-3 1.0175e+4 1.8643e+1 1.728e+2 # -Range: 0-200 Sr2SiO4 - Sr2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Sr++ - log_k 42.8076 - -delta_H -244.583 kJ/mol # Calculated enthalpy of reaction Sr2SiO4 + Sr2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Sr+2 + log_k 42.8076 + -delta_H -244.583 kJ/mol # Calculated enthalpy of reaction Sr2SiO4 # Enthalpy of formation: -2306.61 kJ/mol - -analytic 3.0319e+001 2.0204e-003 1.2729e+004 -1.1584e+001 -1.9480e+005 + -analytic 3.0319e+1 2.0204e-3 1.2729e+4 -1.1584e+1 -1.948e+5 # -Range: 0-300 Sr3(AsO4)2 - Sr3(AsO4)2 +4.0000 H+ = + 2.0000 H2AsO4- + 3.0000 Sr++ - log_k 20.6256 - -delta_H -152.354 kJ/mol # Calculated enthalpy of reaction Sr3(AsO4)2 + Sr3(AsO4)2 + 4 H+ = 2 H2AsO4- + 3 Sr+2 + log_k 20.6256 + -delta_H -152.354 kJ/mol # Calculated enthalpy of reaction Sr3(AsO4)2 # Enthalpy of formation: -3319.49 kJ/mol - -analytic -8.4749e+001 -2.9367e-002 9.5849e+003 3.3126e+001 1.6279e+002 + -analytic -8.4749e+1 -2.9367e-2 9.5849e+3 3.3126e+1 1.6279e+2 # -Range: 0-200 SrBr2 - SrBr2 = + 1.0000 Sr++ + 2.0000 Br- - log_k 13.1128 - -delta_H -75.106 kJ/mol # Calculated enthalpy of reaction SrBr2 + SrBr2 = Sr+2 + 2 Br- + log_k 13.1128 + -delta_H -75.106 kJ/mol # Calculated enthalpy of reaction SrBr2 # Enthalpy of formation: -718.808 kJ/mol - -analytic -1.8512e+002 -7.2423e-002 7.6861e+003 7.8401e+001 1.1999e+002 + -analytic -1.8512e+2 -7.2423e-2 7.6861e+3 7.8401e+1 1.1999e+2 # -Range: 0-300 SrBr2:6H2O - SrBr2:6H2O = + 1.0000 Sr++ + 2.0000 Br- + 6.0000 H2O - log_k 3.6678 - -delta_H 23.367 kJ/mol # Calculated enthalpy of reaction SrBr2:6H2O + SrBr2:6H2O = Sr+2 + 2 Br- + 6 H2O + log_k 3.6678 + -delta_H 23.367 kJ/mol # Calculated enthalpy of reaction SrBr2:6H2O # Enthalpy of formation: -2532.31 kJ/mol - -analytic -2.2470e+002 -6.7920e-002 4.9432e+003 9.3758e+001 7.7200e+001 + -analytic -2.247e+2 -6.792e-2 4.9432e+3 9.3758e+1 7.72e+1 # -Range: 0-300 SrBr2:H2O - SrBr2:H2O = + 1.0000 H2O + 1.0000 Sr++ + 2.0000 Br- - log_k 9.6057 - -delta_H -47.5853 kJ/mol # Calculated enthalpy of reaction SrBr2:H2O + SrBr2:H2O = H2O + Sr+2 + 2 Br- + log_k 9.6057 + -delta_H -47.5853 kJ/mol # Calculated enthalpy of reaction SrBr2:H2O # Enthalpy of formation: -1032.17 kJ/mol - -analytic -1.9103e+002 -7.1402e-002 6.6358e+003 8.0673e+001 1.0360e+002 + -analytic -1.9103e+2 -7.1402e-2 6.6358e+3 8.0673e+1 1.036e+2 # -Range: 0-300 SrCl2 - SrCl2 = + 1.0000 Sr++ + 2.0000 Cl- - log_k 7.9389 - -delta_H -55.0906 kJ/mol # Calculated enthalpy of reaction SrCl2 + SrCl2 = Sr+2 + 2 Cl- + log_k 7.9389 + -delta_H -55.0906 kJ/mol # Calculated enthalpy of reaction SrCl2 # Enthalpy of formation: -829.976 kJ/mol - -analytic -2.0097e+002 -7.6193e-002 7.0396e+003 8.4050e+001 1.0991e+002 + -analytic -2.0097e+2 -7.6193e-2 7.0396e+3 8.405e+1 1.0991e+2 # -Range: 0-300 SrCl2:2H2O - SrCl2:2H2O = + 1.0000 Sr++ + 2.0000 Cl- + 2.0000 H2O - log_k 3.3248 - -delta_H -17.7313 kJ/mol # Calculated enthalpy of reaction SrCl2:2H2O + SrCl2:2H2O = Sr+2 + 2 Cl- + 2 H2O + log_k 3.3248 + -delta_H -17.7313 kJ/mol # Calculated enthalpy of reaction SrCl2:2H2O # Enthalpy of formation: -1439.01 kJ/mol - -analytic -2.1551e+002 -7.4349e-002 5.9400e+003 8.9330e+001 9.2752e+001 + -analytic -2.1551e+2 -7.4349e-2 5.94e+3 8.933e+1 9.2752e+1 # -Range: 0-300 SrCl2:6H2O - SrCl2:6H2O = + 1.0000 Sr++ + 2.0000 Cl- + 6.0000 H2O - log_k 1.5038 - -delta_H 24.6964 kJ/mol # Calculated enthalpy of reaction SrCl2:6H2O + SrCl2:6H2O = Sr+2 + 2 Cl- + 6 H2O + log_k 1.5038 + -delta_H 24.6964 kJ/mol # Calculated enthalpy of reaction SrCl2:6H2O # Enthalpy of formation: -2624.79 kJ/mol - -analytic -1.3225e+002 -1.8260e-002 3.7077e+003 5.1224e+001 6.3008e+001 + -analytic -1.3225e+2 -1.826e-2 3.7077e+3 5.1224e+1 6.3008e+1 # -Range: 0-200 SrCl2:H2O - SrCl2:H2O = + 1.0000 H2O + 1.0000 Sr++ + 2.0000 Cl- - log_k 4.7822 - -delta_H -33.223 kJ/mol # Calculated enthalpy of reaction SrCl2:H2O + SrCl2:H2O = H2O + Sr+2 + 2 Cl- + log_k 4.7822 + -delta_H -33.223 kJ/mol # Calculated enthalpy of reaction SrCl2:H2O # Enthalpy of formation: -1137.68 kJ/mol - -analytic -2.1825e+002 -7.7851e-002 6.5957e+003 9.0555e+001 1.0298e+002 + -analytic -2.1825e+2 -7.7851e-2 6.5957e+3 9.0555e+1 1.0298e+2 # -Range: 0-300 SrCrO4 - SrCrO4 = + 1.0000 CrO4-- + 1.0000 Sr++ - log_k -3.8849 - -delta_H -1.73636 kJ/mol # Calculated enthalpy of reaction SrCrO4 + SrCrO4 = CrO4-2 + Sr+2 + log_k -3.8849 + -delta_H -1.73636 kJ/mol # Calculated enthalpy of reaction SrCrO4 # Enthalpy of formation: -341.855 kcal/mol - -analytic 2.3424e+001 -1.5589e-002 -2.1393e+003 -6.2628e+000 -3.6337e+001 + -analytic 2.3424e+1 -1.5589e-2 -2.1393e+3 -6.2628e+0 -3.6337e+1 # -Range: 0-200 SrF2 - SrF2 = + 1.0000 Sr++ + 2.0000 F- - log_k -8.5400 - -delta_H 0 # Not possible to calculate enthalpy of reaction SrF2 + SrF2 = Sr+2 + 2 F- + log_k -8.54 + -delta_H 0 # Not possible to calculate enthalpy of reaction SrF2 # Enthalpy of formation: 0 kcal/mol SrHPO4 - SrHPO4 = + 1.0000 HPO4-- + 1.0000 Sr++ - log_k -6.2416 - -delta_H -19.7942 kJ/mol # Calculated enthalpy of reaction SrHPO4 + SrHPO4 = HPO4-2 + Sr+2 + log_k -6.2416 + -delta_H -19.7942 kJ/mol # Calculated enthalpy of reaction SrHPO4 # Enthalpy of formation: -1823.19 kJ/mol - -analytic 5.4057e+000 -1.8533e-002 -8.2021e+002 -1.3667e+000 -1.3930e+001 + -analytic 5.4057e+0 -1.8533e-2 -8.2021e+2 -1.3667e+0 -1.393e+1 # -Range: 0-200 SrI2 - SrI2 = + 1.0000 Sr++ + 2.0000 I- - log_k 19.2678 - -delta_H -103.218 kJ/mol # Calculated enthalpy of reaction SrI2 + SrI2 = Sr+2 + 2 I- + log_k 19.2678 + -delta_H -103.218 kJ/mol # Calculated enthalpy of reaction SrI2 # Enthalpy of formation: -561.494 kJ/mol - -analytic -1.8168e+002 -7.2083e-002 9.0759e+003 7.7577e+001 1.4167e+002 + -analytic -1.8168e+2 -7.2083e-2 9.0759e+3 7.7577e+1 1.4167e+2 # -Range: 0-300 SrO - SrO +2.0000 H+ = + 1.0000 H2O + 1.0000 Sr++ - log_k 41.8916 - -delta_H -243.875 kJ/mol # Calculated enthalpy of reaction SrO + SrO + 2 H+ = H2O + Sr+2 + log_k 41.8916 + -delta_H -243.875 kJ/mol # Calculated enthalpy of reaction SrO # Enthalpy of formation: -592.871 kJ/mol - -analytic -5.8463e+001 -1.4240e-002 1.4417e+004 2.2725e+001 2.2499e+002 + -analytic -5.8463e+1 -1.424e-2 1.4417e+4 2.2725e+1 2.2499e+2 # -Range: 0-300 SrS - SrS +1.0000 H+ = + 1.0000 HS- + 1.0000 Sr++ - log_k 14.7284 - -delta_H -93.3857 kJ/mol # Calculated enthalpy of reaction SrS + SrS + H+ = HS- + Sr+2 + log_k 14.7284 + -delta_H -93.3857 kJ/mol # Calculated enthalpy of reaction SrS # Enthalpy of formation: -473.63 kJ/mol - -analytic -1.3048e+002 -4.4837e-002 7.8429e+003 5.3442e+001 1.2242e+002 + -analytic -1.3048e+2 -4.4837e-2 7.8429e+3 5.3442e+1 1.2242e+2 # -Range: 0-300 SrSeO4 - SrSeO4 = + 1.0000 SeO4-- + 1.0000 Sr++ - log_k -4.4000 - -delta_H 0 # Not possible to calculate enthalpy of reaction SrSeO4 + SrSeO4 = SeO4-2 + Sr+2 + log_k -4.4 + -delta_H 0 # Not possible to calculate enthalpy of reaction SrSeO4 # Enthalpy of formation: 0 kcal/mol SrSiO3 - SrSiO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 SiO2 + 1.0000 Sr++ - log_k 14.8438 - -delta_H -79.6112 kJ/mol # Calculated enthalpy of reaction SrSiO3 + SrSiO3 + 2 H+ = H2O + SiO2 + Sr+2 + log_k 14.8438 + -delta_H -79.6112 kJ/mol # Calculated enthalpy of reaction SrSiO3 # Enthalpy of formation: -1634.83 kJ/mol - -analytic 2.2592e+001 6.0821e-003 5.9982e+003 -1.0213e+001 -3.9529e+005 + -analytic 2.2592e+1 6.0821e-3 5.9982e+3 -1.0213e+1 -3.9529e+5 # -Range: 0-300 SrUO4(alpha) - SrUO4 +4.0000 H+ = + 1.0000 Sr++ + 1.0000 UO2++ + 2.0000 H2O - log_k 19.1650 - -delta_H -151.984 kJ/mol # Calculated enthalpy of reaction SrUO4(alpha) + SrUO4 + 4 H+ = Sr+2 + UO2+2 + 2 H2O + log_k 19.165 + -delta_H -151.984 kJ/mol # Calculated enthalpy of reaction SrUO4(alpha) # Enthalpy of formation: -1989.6 kJ/mol - -analytic -7.4169e+001 -1.6686e-002 9.8721e+003 2.6345e+001 1.5407e+002 + -analytic -7.4169e+1 -1.6686e-2 9.8721e+3 2.6345e+1 1.5407e+2 # -Range: 0-300 SrZrO3 - SrZrO3 +4.0000 H+ = + 1.0000 H2O + 1.0000 Sr++ + 1.0000 Zr(OH)2++ - log_k -131.4664 - -delta_H 706.983 kJ/mol # Calculated enthalpy of reaction SrZrO3 + SrZrO3 + 4 H+ = H2O + Sr+2 + Zr(OH)2+2 + log_k -131.4664 + -delta_H 706.983 kJ/mol # Calculated enthalpy of reaction SrZrO3 # Enthalpy of formation: -629.677 kcal/mol - -analytic -5.8512e+001 -9.5738e-003 -3.5254e+004 1.9459e+001 -5.9865e+002 + -analytic -5.8512e+1 -9.5738e-3 -3.5254e+4 1.9459e+1 -5.9865e+2 # -Range: 0-200 Starkeyite - MgSO4:4H2O = + 1.0000 Mg++ + 1.0000 SO4-- + 4.0000 H2O - log_k -0.9999 - -delta_H 0 # Not possible to calculate enthalpy of reaction Starkeyite + MgSO4:4H2O = Mg+2 + SO4-2 + 4 H2O + log_k -0.9999 + -delta_H 0 # Not possible to calculate enthalpy of reaction Starkeyite # Enthalpy of formation: 0 kcal/mol Stibnite - Sb2S3 +6.0000 H2O = + 2.0000 Sb(OH)3 + 3.0000 H+ + 3.0000 HS- - log_k -53.1100 - -delta_H 0 # Not possible to calculate enthalpy of reaction Stibnite + Sb2S3 + 6 H2O = 2 Sb(OH)3 + 3 H+ + 3 HS- + log_k -53.11 + -delta_H 0 # Not possible to calculate enthalpy of reaction Stibnite # Enthalpy of formation: 0 kcal/mol - -analytic 2.5223e+001 -5.9186e-002 -2.0860e+004 3.6892e+000 -3.2551e+002 + -analytic 2.5223e+1 -5.9186e-2 -2.086e+4 3.6892e+0 -3.2551e+2 # -Range: 0-300 Stilbite - Ca1.019Na.136K.006Al2.18Si6.82O18:7.33H2O +8.7200 H+ = + 0.0060 K+ + 0.1360 Na+ + 1.0190 Ca++ + 2.1800 Al+++ + 6.8200 SiO2 + 11.6900 H2O - log_k 1.0545 - -delta_H -83.0019 kJ/mol # Calculated enthalpy of reaction Stilbite + Ca1.019Na.136K.006Al2.18Si6.82O18:7.33H2O + 8.72 H+ = 0.006 K+ + 0.136 Na+ + 1.019 Ca+2 + 2.18 Al+3 + 6.82 SiO2 + 11.69 H2O + log_k 1.0545 + -delta_H -83.0019 kJ/mol # Calculated enthalpy of reaction Stilbite # Enthalpy of formation: -11005.7 kJ/mol - -analytic -2.4483e+001 3.0987e-002 2.8013e+004 -1.5802e+001 -3.4491e+006 + -analytic -2.4483e+1 3.0987e-2 2.8013e+4 -1.5802e+1 -3.4491e+6 # -Range: 0-300 Stilleite - ZnSe = + 1.0000 Se-- + 1.0000 Zn++ - log_k -23.9693 - -delta_H 0 # Not possible to calculate enthalpy of reaction Stilleite + ZnSe = Se-2 + Zn+2 + log_k -23.9693 + -delta_H 0 # Not possible to calculate enthalpy of reaction Stilleite # Enthalpy of formation: -37.97 kcal/mol - -analytic -6.1948e+001 -1.7004e-002 -2.4498e+003 2.0712e+001 -3.8209e+001 + -analytic -6.1948e+1 -1.7004e-2 -2.4498e+3 2.0712e+1 -3.8209e+1 # -Range: 0-300 Strengite - FePO4:2H2O +1.0000 H+ = + 1.0000 Fe+++ + 1.0000 HPO4-- + 2.0000 H2O - log_k -11.3429 - -delta_H -37.107 kJ/mol # Calculated enthalpy of reaction Strengite + FePO4:2H2O + H+ = Fe+3 + HPO4-2 + 2 H2O + log_k -11.3429 + -delta_H -37.107 kJ/mol # Calculated enthalpy of reaction Strengite # Enthalpy of formation: -1876.23 kJ/mol - -analytic -2.7752e+002 -9.4014e-002 7.6862e+003 1.0846e+002 1.2002e+002 + -analytic -2.7752e+2 -9.4014e-2 7.6862e+3 1.0846e+2 1.2002e+2 # -Range: 0-300 Strontianite - SrCO3 +1.0000 H+ = + 1.0000 HCO3- + 1.0000 Sr++ - log_k -0.3137 - -delta_H -8.23411 kJ/mol # Calculated enthalpy of reaction Strontianite + SrCO3 + H+ = HCO3- + Sr+2 + log_k -0.3137 + -delta_H -8.23411 kJ/mol # Calculated enthalpy of reaction Strontianite # Enthalpy of formation: -294.6 kcal/mol - -analytic -1.3577e+002 -4.4884e-002 3.5729e+003 5.5296e+001 5.5791e+001 + -analytic -1.3577e+2 -4.4884e-2 3.5729e+3 5.5296e+1 5.5791e+1 # -Range: 0-300 Sylvite - KCl = + 1.0000 Cl- + 1.0000 K+ - log_k 0.8459 - -delta_H 17.4347 kJ/mol # Calculated enthalpy of reaction Sylvite + KCl = Cl- + K+ + log_k 0.8459 + -delta_H 17.4347 kJ/mol # Calculated enthalpy of reaction Sylvite # Enthalpy of formation: -104.37 kcal/mol - -analytic -8.1204e+001 -3.3074e-002 8.2819e+002 3.6014e+001 1.2947e+001 + -analytic -8.1204e+1 -3.3074e-2 8.2819e+2 3.6014e+1 1.2947e+1 # -Range: 0-300 Syngenite - K2Ca(SO4)2:H2O = + 1.0000 Ca++ + 1.0000 H2O + 2.0000 K+ + 2.0000 SO4-- - log_k -7.6001 - -delta_H 0 # Not possible to calculate enthalpy of reaction Syngenite + K2Ca(SO4)2:H2O = Ca+2 + H2O + 2 K+ + 2 SO4-2 + log_k -7.6001 + -delta_H 0 # Not possible to calculate enthalpy of reaction Syngenite # Enthalpy of formation: 0 kcal/mol Tachyhydrite - Mg2CaCl6:12H2O = + 1.0000 Ca++ + 2.0000 Mg++ + 6.0000 Cl- + 12.0000 H2O - log_k 17.1439 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tachyhydrite + Mg2CaCl6:12H2O = Ca+2 + 2 Mg+2 + 6 Cl- + 12 H2O + log_k 17.1439 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tachyhydrite # Enthalpy of formation: 0 kcal/mol Talc - Mg3Si4O10(OH)2 +6.0000 H+ = + 3.0000 Mg++ + 4.0000 H2O + 4.0000 SiO2 - log_k 21.1383 - -delta_H -148.737 kJ/mol # Calculated enthalpy of reaction Talc + Mg3Si4O10(OH)2 + 6 H+ = 3 Mg+2 + 4 H2O + 4 SiO2 + log_k 21.1383 + -delta_H -148.737 kJ/mol # Calculated enthalpy of reaction Talc # Enthalpy of formation: -1410.92 kcal/mol - -analytic 1.1164e+001 2.4724e-002 1.9810e+004 -1.7568e+001 -1.8241e+006 + -analytic 1.1164e+1 2.4724e-2 1.981e+4 -1.7568e+1 -1.8241e+6 # -Range: 0-300 Tarapacaite - K2CrO4 = + 1.0000 CrO4-- + 2.0000 K+ - log_k -0.4037 - -delta_H 17.8238 kJ/mol # Calculated enthalpy of reaction Tarapacaite + K2CrO4 = CrO4-2 + 2 K+ + log_k -0.4037 + -delta_H 17.8238 kJ/mol # Calculated enthalpy of reaction Tarapacaite # Enthalpy of formation: -335.4 kcal/mol - -analytic 2.7953e+001 -1.0863e-002 -2.7589e+003 -6.4154e+000 -4.6859e+001 + -analytic 2.7953e+1 -1.0863e-2 -2.7589e+3 -6.4154e+0 -4.6859e+1 # -Range: 0-200 Tb - Tb +3.0000 H+ +0.7500 O2 = + 1.0000 Tb+++ + 1.5000 H2O - log_k 181.4170 - -delta_H -1117.97 kJ/mol # Calculated enthalpy of reaction Tb + Tb + 3 H+ + 0.75 O2 = Tb+3 + 1.5 H2O + log_k 181.417 + -delta_H -1117.97 kJ/mol # Calculated enthalpy of reaction Tb # Enthalpy of formation: 0 kJ/mol - -analytic -5.2354e+001 -2.6920e-002 5.8391e+004 1.8555e+001 9.1115e+002 + -analytic -5.2354e+1 -2.692e-2 5.8391e+4 1.8555e+1 9.1115e+2 # -Range: 0-300 Tb(OH)3 - Tb(OH)3 +3.0000 H+ = + 1.0000 Tb+++ + 3.0000 H2O - log_k 15.6852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tb(OH)3 + Tb(OH)3 + 3 H+ = Tb+3 + 3 H2O + log_k 15.6852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tb(OH)3 # Enthalpy of formation: 0 kcal/mol Tb(OH)3(am) - Tb(OH)3 +3.0000 H+ = + 1.0000 Tb+++ + 3.0000 H2O - log_k 18.7852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tb(OH)3(am) + Tb(OH)3 + 3 H+ = Tb+3 + 3 H2O + log_k 18.7852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tb(OH)3(am) # Enthalpy of formation: 0 kcal/mol Tb2(CO3)3 - Tb2(CO3)3 +3.0000 H+ = + 2.0000 Tb+++ + 3.0000 HCO3- - log_k -3.2136 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tb2(CO3)3 + Tb2(CO3)3 + 3 H+ = 2 Tb+3 + 3 HCO3- + log_k -3.2136 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tb2(CO3)3 # Enthalpy of formation: 0 kcal/mol Tb2O3 - Tb2O3 +6.0000 H+ = + 2.0000 Tb+++ + 3.0000 H2O - log_k 47.1000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tb2O3 + Tb2O3 + 6 H+ = 2 Tb+3 + 3 H2O + log_k 47.1 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tb2O3 # Enthalpy of formation: 0 kcal/mol TbF3:.5H2O - TbF3:.5H2O = + 0.5000 H2O + 1.0000 Tb+++ + 3.0000 F- - log_k -16.7000 - -delta_H 0 # Not possible to calculate enthalpy of reaction TbF3:.5H2O + TbF3:.5H2O = 0.5 H2O + Tb+3 + 3 F- + log_k -16.7 + -delta_H 0 # Not possible to calculate enthalpy of reaction TbF3:.5H2O # Enthalpy of formation: 0 kcal/mol TbPO4:10H2O - TbPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 Tb+++ + 10.0000 H2O - log_k -11.9782 - -delta_H 0 # Not possible to calculate enthalpy of reaction TbPO4:10H2O + TbPO4:10H2O + H+ = HPO4-2 + Tb+3 + 10 H2O + log_k -11.9782 + -delta_H 0 # Not possible to calculate enthalpy of reaction TbPO4:10H2O # Enthalpy of formation: 0 kcal/mol Tc - Tc +1.7500 O2 +0.5000 H2O = + 1.0000 H+ + 1.0000 TcO4- - log_k 93.5811 - -delta_H -552.116 kJ/mol # Calculated enthalpy of reaction Tc + Tc + 1.75 O2 + 0.5 H2O = H+ + TcO4- + log_k 93.5811 + -delta_H -552.116 kJ/mol # Calculated enthalpy of reaction Tc # Enthalpy of formation: 0 kJ/mol - -analytic 2.2670e+001 -1.2050e-002 3.0174e+004 -8.4053e+000 -5.2577e+005 + -analytic 2.267e+1 -1.205e-2 3.0174e+4 -8.4053e+0 -5.2577e+5 # -Range: 0-300 Tc(OH)2 - Tc(OH)2 +3.0000 H+ +0.2500 O2 = + 1.0000 Tc+++ + 2.5000 H2O - log_k 5.2714 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tc(OH)2 + Tc(OH)2 + 3 H+ + 0.25 O2 = Tc+3 + 2.5 H2O + log_k 5.2714 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tc(OH)2 # Enthalpy of formation: 0 kcal/mol Tc(OH)3 - Tc(OH)3 +3.0000 H+ = + 1.0000 Tc+++ + 3.0000 H2O - log_k -9.2425 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tc(OH)3 + Tc(OH)3 + 3 H+ = Tc+3 + 3 H2O + log_k -9.2425 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tc(OH)3 # Enthalpy of formation: 0 kcal/mol Tc2O7 - Tc2O7 +1.0000 H2O = + 2.0000 H+ + 2.0000 TcO4- - log_k 13.1077 - -delta_H -26.5357 kJ/mol # Calculated enthalpy of reaction Tc2O7 + Tc2O7 + H2O = 2 H+ + 2 TcO4- + log_k 13.1077 + -delta_H -26.5357 kJ/mol # Calculated enthalpy of reaction Tc2O7 # Enthalpy of formation: -1120.16 kJ/mol - -analytic 8.7535e+001 1.5366e-002 -1.1919e+003 -3.0317e+001 -2.0271e+001 + -analytic 8.7535e+1 1.5366e-2 -1.1919e+3 -3.0317e+1 -2.0271e+1 # -Range: 0-200 Tc2S7 - Tc2S7 +8.0000 H2O = + 2.0000 TcO4- + 7.0000 HS- + 9.0000 H+ - log_k -230.2410 - -delta_H 1356.41 kJ/mol # Calculated enthalpy of reaction Tc2S7 + Tc2S7 + 8 H2O = 2 TcO4- + 7 HS- + 9 H+ + log_k -230.241 + -delta_H 1356.41 kJ/mol # Calculated enthalpy of reaction Tc2S7 # Enthalpy of formation: -615 kJ/mol - -analytic 2.4560e+002 -4.3355e-002 -8.4192e+004 -7.2967e+001 -1.4298e+003 + -analytic 2.456e+2 -4.3355e-2 -8.4192e+4 -7.2967e+1 -1.4298e+3 # -Range: 0-200 Tc3O4 - Tc3O4 +9.0000 H+ +0.2500 O2 = + 3.0000 Tc+++ + 4.5000 H2O - log_k -19.2271 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tc3O4 + Tc3O4 + 9 H+ + 0.25 O2 = 3 Tc+3 + 4.5 H2O + log_k -19.2271 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tc3O4 # Enthalpy of formation: 0 kcal/mol Tc4O7 - Tc4O7 +10.0000 H+ = + 2.0000 Tc+++ + 2.0000 TcO++ + 5.0000 H2O - log_k -26.0149 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tc4O7 + Tc4O7 + 10 H+ = 2 Tc+3 + 2 TcO+2 + 5 H2O + log_k -26.0149 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tc4O7 # Enthalpy of formation: 0 kcal/mol TcO2:2H2O(am) - TcO2:2H2O +2.0000 H+ = + 1.0000 TcO++ + 3.0000 H2O - log_k -4.2319 - -delta_H 0 # Not possible to calculate enthalpy of reaction TcO2:2H2O(am) + TcO2:2H2O + 2 H+ = TcO+2 + 3 H2O + log_k -4.2319 + -delta_H 0 # Not possible to calculate enthalpy of reaction TcO2:2H2O(am) # Enthalpy of formation: 0 kcal/mol TcO3 - TcO3 +1.0000 H2O = + 1.0000 TcO4-- + 2.0000 H+ - log_k -23.1483 - -delta_H 0 # Not possible to calculate enthalpy of reaction TcO3 + TcO3 + H2O = TcO4-2 + 2 H+ + log_k -23.1483 + -delta_H 0 # Not possible to calculate enthalpy of reaction TcO3 # Enthalpy of formation: -540 kJ/mol TcOH - TcOH +3.0000 H+ +0.5000 O2 = + 1.0000 Tc+++ + 2.0000 H2O - log_k 24.9009 - -delta_H 0 # Not possible to calculate enthalpy of reaction TcOH + TcOH + 3 H+ + 0.5 O2 = Tc+3 + 2 H2O + log_k 24.9009 + -delta_H 0 # Not possible to calculate enthalpy of reaction TcOH # Enthalpy of formation: 0 kcal/mol TcS2 - TcS2 +1.0000 H2O = + 1.0000 TcO++ + 2.0000 HS- - log_k -65.9742 - -delta_H 0 # Not possible to calculate enthalpy of reaction TcS2 + TcS2 + H2O = TcO+2 + 2 HS- + log_k -65.9742 + -delta_H 0 # Not possible to calculate enthalpy of reaction TcS2 # Enthalpy of formation: -224 kJ/mol TcS3 - TcS3 +4.0000 H2O = + 1.0000 TcO4-- + 3.0000 HS- + 5.0000 H+ - log_k -119.5008 - -delta_H 0 # Not possible to calculate enthalpy of reaction TcS3 + TcS3 + 4 H2O = TcO4-2 + 3 HS- + 5 H+ + log_k -119.5008 + -delta_H 0 # Not possible to calculate enthalpy of reaction TcS3 # Enthalpy of formation: -276 kJ/mol Tenorite - CuO +2.0000 H+ = + 1.0000 Cu++ + 1.0000 H2O - log_k 7.6560 - -delta_H -64.5047 kJ/mol # Calculated enthalpy of reaction Tenorite + CuO + 2 H+ = Cu+2 + H2O + log_k 7.656 + -delta_H -64.5047 kJ/mol # Calculated enthalpy of reaction Tenorite # Enthalpy of formation: -37.2 kcal/mol - -analytic -8.9899e+001 -1.8886e-002 6.0346e+003 3.3517e+001 9.4191e+001 + -analytic -8.9899e+1 -1.8886e-2 6.0346e+3 3.3517e+1 9.4191e+1 # -Range: 0-300 Tephroite - Mn2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Mn++ - log_k 23.0781 - -delta_H -160.1 kJ/mol # Calculated enthalpy of reaction Tephroite + Mn2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Mn+2 + log_k 23.0781 + -delta_H -160.1 kJ/mol # Calculated enthalpy of reaction Tephroite # Enthalpy of formation: -1730.47 kJ/mol - -analytic -3.2440e+001 -1.1023e-002 8.8910e+003 1.1691e+001 1.3875e+002 + -analytic -3.244e+1 -1.1023e-2 8.891e+3 1.1691e+1 1.3875e+2 # -Range: 0-300 Th - Th +4.0000 H+ +1.0000 O2 = + 1.0000 Th++++ + 2.0000 H2O - log_k 209.6028 - -delta_H -1328.56 kJ/mol # Calculated enthalpy of reaction Th + Th + 4 H+ + O2 = Th+4 + 2 H2O + log_k 209.6028 + -delta_H -1328.56 kJ/mol # Calculated enthalpy of reaction Th # Enthalpy of formation: 0 kJ/mol - -analytic -2.8256e+001 -1.1963e-002 6.8870e+004 4.2068e+000 1.0747e+003 + -analytic -2.8256e+1 -1.1963e-2 6.887e+4 4.2068e+0 1.0747e+3 # -Range: 0-300 Th(NO3)4:5H2O - Th(NO3)4:5H2O = + 1.0000 Th++++ + 4.0000 NO3- + 5.0000 H2O - log_k 1.7789 - -delta_H -18.1066 kJ/mol # Calculated enthalpy of reaction Th(NO3)4:5H2O + Th(NO3)4:5H2O = Th+4 + 4 NO3- + 5 H2O + log_k 1.7789 + -delta_H -18.1066 kJ/mol # Calculated enthalpy of reaction Th(NO3)4:5H2O # Enthalpy of formation: -3007.35 kJ/mol - -analytic -1.2480e+002 -2.0405e-002 5.1601e+003 4.6613e+001 8.7669e+001 + -analytic -1.248e+2 -2.0405e-2 5.1601e+3 4.6613e+1 8.7669e+1 # -Range: 0-200 Th(OH)4 - Th(OH)4 +4.0000 H+ = + 1.0000 Th++++ + 4.0000 H2O - log_k 9.6543 - -delta_H -140.336 kJ/mol # Calculated enthalpy of reaction Th(OH)4 + Th(OH)4 + 4 H+ = Th+4 + 4 H2O + log_k 9.6543 + -delta_H -140.336 kJ/mol # Calculated enthalpy of reaction Th(OH)4 # Enthalpy of formation: -423.527 kcal/mol - -analytic -1.4031e+002 -9.2493e-003 1.2345e+004 4.4990e+001 2.0968e+002 + -analytic -1.4031e+2 -9.2493e-3 1.2345e+4 4.499e+1 2.0968e+2 # -Range: 0-200 Th(SO4)2 - Th(SO4)2 = + 1.0000 Th++++ + 2.0000 SO4-- - log_k -20.3006 - -delta_H -46.1064 kJ/mol # Calculated enthalpy of reaction Th(SO4)2 + Th(SO4)2 = Th+4 + 2 SO4-2 + log_k -20.3006 + -delta_H -46.1064 kJ/mol # Calculated enthalpy of reaction Th(SO4)2 # Enthalpy of formation: -2542.12 kJ/mol - -analytic -8.4525e+000 -3.5442e-002 0.0000e+000 0.0000e+000 -1.1540e+005 + -analytic -8.4525e+0 -3.5442e-2 0e+0 0e+0 -1.154e+5 # -Range: 0-200 Th2S3 - Th2S3 +5.0000 H+ +0.5000 O2 = + 1.0000 H2O + 2.0000 Th++++ + 3.0000 HS- - log_k 95.2290 - -delta_H -783.243 kJ/mol # Calculated enthalpy of reaction Th2S3 + Th2S3 + 5 H+ + 0.5 O2 = H2O + 2 Th+4 + 3 HS- + log_k 95.229 + -delta_H -783.243 kJ/mol # Calculated enthalpy of reaction Th2S3 # Enthalpy of formation: -1082.89 kJ/mol - -analytic -3.2969e+002 -1.1090e-001 4.6877e+004 1.2152e+002 7.3157e+002 + -analytic -3.2969e+2 -1.109e-1 4.6877e+4 1.2152e+2 7.3157e+2 # -Range: 0-300 Th2Se3 - Th2Se3 +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 2.0000 Th++++ + 3.0000 Se-- - log_k 59.1655 - -delta_H 0 # Not possible to calculate enthalpy of reaction Th2Se3 + Th2Se3 + 2 H+ + 0.5 O2 = H2O + 2 Th+4 + 3 Se-2 + log_k 59.1655 + -delta_H 0 # Not possible to calculate enthalpy of reaction Th2Se3 # Enthalpy of formation: -224 kcal/mol - -analytic -1.0083e+001 6.0240e-003 3.4039e+004 -1.8884e+001 5.7804e+002 + -analytic -1.0083e+1 6.024e-3 3.4039e+4 -1.8884e+1 5.7804e+2 # -Range: 0-200 Th7S12 - Th7S12 +16.0000 H+ +1.0000 O2 = + 2.0000 H2O + 7.0000 Th++++ + 12.0000 HS- - log_k 204.0740 - -delta_H -1999.4 kJ/mol # Calculated enthalpy of reaction Th7S12 + Th7S12 + 16 H+ + O2 = 2 H2O + 7 Th+4 + 12 HS- + log_k 204.074 + -delta_H -1999.4 kJ/mol # Calculated enthalpy of reaction Th7S12 # Enthalpy of formation: -4136.58 kJ/mol - -analytic -2.1309e+002 -1.4149e-001 9.8550e+004 5.2042e+001 1.6736e+003 + -analytic -2.1309e+2 -1.4149e-1 9.855e+4 5.2042e+1 1.6736e+3 # -Range: 0-200 ThBr4 - ThBr4 = + 1.0000 Th++++ + 4.0000 Br- - log_k 34.0803 - -delta_H -290.23 kJ/mol # Calculated enthalpy of reaction ThBr4 + ThBr4 = Th+4 + 4 Br- + log_k 34.0803 + -delta_H -290.23 kJ/mol # Calculated enthalpy of reaction ThBr4 # Enthalpy of formation: -964.803 kJ/mol - -analytic 2.9902e+001 -3.3109e-002 1.0988e+004 -9.2209e+000 1.8657e+002 + -analytic 2.9902e+1 -3.3109e-2 1.0988e+4 -9.2209e+0 1.8657e+2 # -Range: 0-200 ThCl4 - ThCl4 = + 1.0000 Th++++ + 4.0000 Cl- - log_k 23.8491 - -delta_H -251.094 kJ/mol # Calculated enthalpy of reaction ThCl4 + ThCl4 = Th+4 + 4 Cl- + log_k 23.8491 + -delta_H -251.094 kJ/mol # Calculated enthalpy of reaction ThCl4 # Enthalpy of formation: -283.519 kcal/mol - -analytic -5.9340e+000 -4.1640e-002 9.8623e+003 3.6804e+000 1.6748e+002 + -analytic -5.934e+0 -4.164e-2 9.8623e+3 3.6804e+0 1.6748e+2 # -Range: 0-200 ThF4 - ThF4 = + 1.0000 Th++++ + 4.0000 F- - log_k -29.9946 - -delta_H -12.6733 kJ/mol # Calculated enthalpy of reaction ThF4 + ThF4 = Th+4 + 4 F- + log_k -29.9946 + -delta_H -12.6733 kJ/mol # Calculated enthalpy of reaction ThF4 # Enthalpy of formation: -501.371 kcal/mol - -analytic -4.2622e+002 -1.4222e-001 9.4201e+003 1.6446e+002 1.4712e+002 + -analytic -4.2622e+2 -1.4222e-1 9.4201e+3 1.6446e+2 1.4712e+2 # -Range: 0-300 ThF4:2.5H2O - ThF4:2.5H2O = + 1.0000 Th++++ + 2.5000 H2O + 4.0000 F- - log_k -31.8568 - -delta_H 22.6696 kJ/mol # Calculated enthalpy of reaction ThF4:2.5H2O + ThF4:2.5H2O = Th+4 + 2.5 H2O + 4 F- + log_k -31.8568 + -delta_H 22.6696 kJ/mol # Calculated enthalpy of reaction ThF4:2.5H2O # Enthalpy of formation: -2847.68 kJ/mol - -analytic -1.1284e+002 -4.5422e-002 -2.5781e+002 3.8547e+001 -4.3396e+000 + -analytic -1.1284e+2 -4.5422e-2 -2.5781e+2 3.8547e+1 -4.3396e+0 # -Range: 0-200 ThI4 - ThI4 = + 1.0000 Th++++ + 4.0000 I- - log_k 45.1997 - -delta_H -332.818 kJ/mol # Calculated enthalpy of reaction ThI4 + ThI4 = Th+4 + 4 I- + log_k 45.1997 + -delta_H -332.818 kJ/mol # Calculated enthalpy of reaction ThI4 # Enthalpy of formation: -663.811 kJ/mol - -analytic 1.4224e+000 -4.0379e-002 1.4193e+004 3.3137e+000 2.4102e+002 + -analytic 1.4224e+0 -4.0379e-2 1.4193e+4 3.3137e+0 2.4102e+2 # -Range: 0-200 ThS - ThS +3.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 HS- + 1.0000 Th++++ - log_k 96.0395 - -delta_H -669.906 kJ/mol # Calculated enthalpy of reaction ThS + ThS + 3 H+ + 0.5 O2 = H2O + HS- + Th+4 + log_k 96.0395 + -delta_H -669.906 kJ/mol # Calculated enthalpy of reaction ThS # Enthalpy of formation: -394.993 kJ/mol - -analytic -1.3919e+001 -1.2372e-002 3.3883e+004 0.0000e+000 0.0000e+000 + -analytic -1.3919e+1 -1.2372e-2 3.3883e+4 0e+0 0e+0 # -Range: 0-200 ThS2 - ThS2 +2.0000 H+ = + 1.0000 Th++++ + 2.0000 HS- - log_k 10.7872 - -delta_H -175.369 kJ/mol # Calculated enthalpy of reaction ThS2 + ThS2 + 2 H+ = Th+4 + 2 HS- + log_k 10.7872 + -delta_H -175.369 kJ/mol # Calculated enthalpy of reaction ThS2 # Enthalpy of formation: -625.867 kJ/mol - -analytic -3.7691e+001 -2.3714e-002 8.4673e+003 1.0970e+001 1.4380e+002 + -analytic -3.7691e+1 -2.3714e-2 8.4673e+3 1.097e+1 1.438e+2 # -Range: 0-200 Thenardite - Na2SO4 = + 1.0000 SO4-- + 2.0000 Na+ - log_k -0.3091 - -delta_H -2.33394 kJ/mol # Calculated enthalpy of reaction Thenardite + Na2SO4 = SO4-2 + 2 Na+ + log_k -0.3091 + -delta_H -2.33394 kJ/mol # Calculated enthalpy of reaction Thenardite # Enthalpy of formation: -1387.87 kJ/mol - -analytic -2.1202e+002 -7.1613e-002 5.1083e+003 8.7244e+001 7.9773e+001 + -analytic -2.1202e+2 -7.1613e-2 5.1083e+3 8.7244e+1 7.9773e+1 # -Range: 0-300 Thermonatrite - Na2CO3:H2O +1.0000 H+ = + 1.0000 H2O + 1.0000 HCO3- + 2.0000 Na+ - log_k 10.9623 - -delta_H -27.5869 kJ/mol # Calculated enthalpy of reaction Thermonatrite + Na2CO3:H2O + H+ = H2O + HCO3- + 2 Na+ + log_k 10.9623 + -delta_H -27.5869 kJ/mol # Calculated enthalpy of reaction Thermonatrite # Enthalpy of formation: -1428.78 kJ/mol - -analytic -1.4030e+002 -3.5263e-002 5.7840e+003 5.7528e+001 9.0295e+001 + -analytic -1.403e+2 -3.5263e-2 5.784e+3 5.7528e+1 9.0295e+1 # -Range: 0-300 Thorianite - ThO2 +4.0000 H+ = + 1.0000 Th++++ + 2.0000 H2O - log_k 1.8624 - -delta_H -114.296 kJ/mol # Calculated enthalpy of reaction Thorianite + ThO2 + 4 H+ = Th+4 + 2 H2O + log_k 1.8624 + -delta_H -114.296 kJ/mol # Calculated enthalpy of reaction Thorianite # Enthalpy of formation: -1226.4 kJ/mol - -analytic -1.4249e+001 -2.4645e-003 4.3110e+003 -1.6605e-002 2.1598e+005 + -analytic -1.4249e+1 -2.4645e-3 4.311e+3 -1.6605e-2 2.1598e+5 # -Range: 0-300 Ti - Ti +2.0000 H2O +1.0000 O2 = + 1.0000 Ti(OH)4 - log_k 149.2978 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ti + Ti + 2 H2O + O2 = Ti(OH)4 + log_k 149.2978 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ti # Enthalpy of formation: 0 kJ/mol Ti2O3 - Ti2O3 +4.0000 H2O +0.5000 O2 = + 2.0000 Ti(OH)4 - log_k 42.9866 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ti2O3 + Ti2O3 + 4 H2O + 0.5 O2 = 2 Ti(OH)4 + log_k 42.9866 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ti2O3 # Enthalpy of formation: -1520.78 kJ/mol Ti3O5 - Ti3O5 +6.0000 H2O +0.5000 O2 = + 3.0000 Ti(OH)4 - log_k 34.6557 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ti3O5 + Ti3O5 + 6 H2O + 0.5 O2 = 3 Ti(OH)4 + log_k 34.6557 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ti3O5 # Enthalpy of formation: -2459.24 kJ/mol TiB2 - TiB2 +5.0000 H2O +2.5000 O2 = + 1.0000 Ti(OH)4 + 2.0000 B(OH)3 - log_k 312.4194 - -delta_H 0 # Not possible to calculate enthalpy of reaction TiB2 + TiB2 + 5 H2O + 2.5 O2 = Ti(OH)4 + 2 B(OH)3 + log_k 312.4194 + -delta_H 0 # Not possible to calculate enthalpy of reaction TiB2 # Enthalpy of formation: -323.883 kJ/mol TiBr3 - TiBr3 +3.5000 H2O +0.2500 O2 = + 1.0000 Ti(OH)4 + 3.0000 Br- + 3.0000 H+ - log_k 47.7190 - -delta_H 0 # Not possible to calculate enthalpy of reaction TiBr3 + TiBr3 + 3.5 H2O + 0.25 O2 = Ti(OH)4 + 3 Br- + 3 H+ + log_k 47.719 + -delta_H 0 # Not possible to calculate enthalpy of reaction TiBr3 # Enthalpy of formation: -548.378 kJ/mol TiBr4 - TiBr4 +4.0000 H2O = + 1.0000 Ti(OH)4 + 4.0000 Br- + 4.0000 H+ - log_k 32.9379 - -delta_H 0 # Not possible to calculate enthalpy of reaction TiBr4 + TiBr4 + 4 H2O = Ti(OH)4 + 4 Br- + 4 H+ + log_k 32.9379 + -delta_H 0 # Not possible to calculate enthalpy of reaction TiBr4 # Enthalpy of formation: -616.822 kJ/mol TiC - TiC +3.0000 H2O +2.0000 O2 = + 1.0000 H+ + 1.0000 HCO3- + 1.0000 Ti(OH)4 - log_k 181.8139 - -delta_H 0 # Not possible to calculate enthalpy of reaction TiC + TiC + 3 H2O + 2 O2 = H+ + HCO3- + Ti(OH)4 + log_k 181.8139 + -delta_H 0 # Not possible to calculate enthalpy of reaction TiC # Enthalpy of formation: -184.346 kJ/mol TiCl2 - TiCl2 +3.0000 H2O +0.5000 O2 = + 1.0000 Ti(OH)4 + 2.0000 Cl- + 2.0000 H+ - log_k 70.9386 - -delta_H 0 # Not possible to calculate enthalpy of reaction TiCl2 + TiCl2 + 3 H2O + 0.5 O2 = Ti(OH)4 + 2 Cl- + 2 H+ + log_k 70.9386 + -delta_H 0 # Not possible to calculate enthalpy of reaction TiCl2 # Enthalpy of formation: -514.012 kJ/mol TiCl3 - TiCl3 +3.5000 H2O +0.2500 O2 = + 1.0000 Ti(OH)4 + 3.0000 Cl- + 3.0000 H+ - log_k 39.3099 - -delta_H 0 # Not possible to calculate enthalpy of reaction TiCl3 + TiCl3 + 3.5 H2O + 0.25 O2 = Ti(OH)4 + 3 Cl- + 3 H+ + log_k 39.3099 + -delta_H 0 # Not possible to calculate enthalpy of reaction TiCl3 # Enthalpy of formation: -720.775 kJ/mol TiF4(am) - TiF4 +4.0000 H2O = + 1.0000 Ti(OH)4 + 4.0000 F- + 4.0000 H+ - log_k -12.4409 - -delta_H 0 # Not possible to calculate enthalpy of reaction TiF4(am) + TiF4 + 4 H2O = Ti(OH)4 + 4 F- + 4 H+ + log_k -12.4409 + -delta_H 0 # Not possible to calculate enthalpy of reaction TiF4(am) # Enthalpy of formation: -1649.44 kJ/mol TiI4 - TiI4 +4.0000 H2O = + 1.0000 Ti(OH)4 + 4.0000 H+ + 4.0000 I- - log_k 34.5968 - -delta_H 0 # Not possible to calculate enthalpy of reaction TiI4 + TiI4 + 4 H2O = Ti(OH)4 + 4 H+ + 4 I- + log_k 34.5968 + -delta_H 0 # Not possible to calculate enthalpy of reaction TiI4 # Enthalpy of formation: -375.555 kJ/mol TiN - TiN +3.5000 H2O +0.2500 O2 = + 1.0000 NH3 + 1.0000 Ti(OH)4 - log_k 35.2344 - -delta_H 0 # Not possible to calculate enthalpy of reaction TiN + TiN + 3.5 H2O + 0.25 O2 = NH3 + Ti(OH)4 + log_k 35.2344 + -delta_H 0 # Not possible to calculate enthalpy of reaction TiN # Enthalpy of formation: -338.304 kJ/mol TiO(alpha) - TiO +2.0000 H2O +0.5000 O2 = + 1.0000 Ti(OH)4 - log_k 61.1282 - -delta_H 0 # Not possible to calculate enthalpy of reaction TiO(alpha) + TiO + 2 H2O + 0.5 O2 = Ti(OH)4 + log_k 61.1282 + -delta_H 0 # Not possible to calculate enthalpy of reaction TiO(alpha) # Enthalpy of formation: -519.835 kJ/mol Tiemannite - HgSe = + 1.0000 Hg++ + 1.0000 Se-- - log_k -58.2188 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tiemannite + HgSe = Hg+2 + Se-2 + log_k -58.2188 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tiemannite # Enthalpy of formation: -10.4 kcal/mol - -analytic -5.7618e+001 -1.3891e-002 -1.3223e+004 1.9351e+001 -2.0632e+002 + -analytic -5.7618e+1 -1.3891e-2 -1.3223e+4 1.9351e+1 -2.0632e+2 # -Range: 0-300 Titanite - CaTiSiO5 +2.0000 H+ +1.0000 H2O = + 1.0000 Ca++ + 1.0000 SiO2 + 1.0000 Ti(OH)4 - log_k 719.5839 - -delta_H 0 # Not possible to calculate enthalpy of reaction Titanite + CaTiSiO5 + 2 H+ + H2O = Ca+2 + SiO2 + Ti(OH)4 + log_k 719.5839 + -delta_H 0 # Not possible to calculate enthalpy of reaction Titanite # Enthalpy of formation: 0 kcal/mol Tl - Tl +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Tl+ - log_k 27.1743 - -delta_H -134.53 kJ/mol # Calculated enthalpy of reaction Tl + Tl + H+ + 0.25 O2 = 0.5 H2O + Tl+ + log_k 27.1743 + -delta_H -134.53 kJ/mol # Calculated enthalpy of reaction Tl # Enthalpy of formation: 0 kJ/mol - -analytic -3.7066e+001 -7.8341e-003 9.4594e+003 1.4896e+001 -1.7904e+005 + -analytic -3.7066e+1 -7.8341e-3 9.4594e+3 1.4896e+1 -1.7904e+5 # -Range: 0-300 Tm - Tm +3.0000 H+ +0.7500 O2 = + 1.0000 Tm+++ + 1.5000 H2O - log_k 181.7102 - -delta_H -1124.66 kJ/mol # Calculated enthalpy of reaction Tm + Tm + 3 H+ + 0.75 O2 = Tm+3 + 1.5 H2O + log_k 181.7102 + -delta_H -1124.66 kJ/mol # Calculated enthalpy of reaction Tm # Enthalpy of formation: 0 kJ/mol - -analytic -6.7440e+001 -2.8476e-002 5.9332e+004 2.3715e+001 -5.9611e+003 + -analytic -6.744e+1 -2.8476e-2 5.9332e+4 2.3715e+1 -5.9611e+3 # -Range: 0-300 Tm(OH)3 - Tm(OH)3 +3.0000 H+ = + 1.0000 Tm+++ + 3.0000 H2O - log_k 14.9852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tm(OH)3 + Tm(OH)3 + 3 H+ = Tm+3 + 3 H2O + log_k 14.9852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tm(OH)3 # Enthalpy of formation: 0 kcal/mol Tm(OH)3(am) - Tm(OH)3 +3.0000 H+ = + 1.0000 Tm+++ + 3.0000 H2O - log_k 17.2852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tm(OH)3(am) + Tm(OH)3 + 3 H+ = Tm+3 + 3 H2O + log_k 17.2852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tm(OH)3(am) # Enthalpy of formation: 0 kcal/mol Tm2(CO3)3 - Tm2(CO3)3 +3.0000 H+ = + 2.0000 Tm+++ + 3.0000 HCO3- - log_k -2.4136 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tm2(CO3)3 + Tm2(CO3)3 + 3 H+ = 2 Tm+3 + 3 HCO3- + log_k -2.4136 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tm2(CO3)3 # Enthalpy of formation: 0 kcal/mol Tm2O3 - Tm2O3 +6.0000 H+ = + 2.0000 Tm+++ + 3.0000 H2O - log_k 44.7000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tm2O3 + Tm2O3 + 6 H+ = 2 Tm+3 + 3 H2O + log_k 44.7 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tm2O3 # Enthalpy of formation: 0 kcal/mol TmF3:.5H2O - TmF3:.5H2O = + 0.5000 H2O + 1.0000 Tm+++ + 3.0000 F- - log_k -16.2000 - -delta_H 0 # Not possible to calculate enthalpy of reaction TmF3:.5H2O + TmF3:.5H2O = 0.5 H2O + Tm+3 + 3 F- + log_k -16.2 + -delta_H 0 # Not possible to calculate enthalpy of reaction TmF3:.5H2O # Enthalpy of formation: 0 kcal/mol TmPO4:10H2O - TmPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 Tm+++ + 10.0000 H2O - log_k -11.8782 - -delta_H 0 # Not possible to calculate enthalpy of reaction TmPO4:10H2O + TmPO4:10H2O + H+ = HPO4-2 + Tm+3 + 10 H2O + log_k -11.8782 + -delta_H 0 # Not possible to calculate enthalpy of reaction TmPO4:10H2O # Enthalpy of formation: 0 kcal/mol Tobermorite-11A - Ca5Si6H11O22.5 +10.0000 H+ = + 5.0000 Ca++ + 6.0000 SiO2 + 10.5000 H2O - log_k 65.6121 - -delta_H -286.861 kJ/mol # Calculated enthalpy of reaction Tobermorite-11A + Ca5Si6H11O22.5 + 10 H+ = 5 Ca+2 + 6 SiO2 + 10.5 H2O + log_k 65.6121 + -delta_H -286.861 kJ/mol # Calculated enthalpy of reaction Tobermorite-11A # Enthalpy of formation: -2556.42 kcal/mol - -analytic 7.9123e+001 3.9150e-002 2.9429e+004 -3.9191e+001 -2.4122e+006 + -analytic 7.9123e+1 3.915e-2 2.9429e+4 -3.9191e+1 -2.4122e+6 # -Range: 0-300 Tobermorite-14A - Ca5Si6H21O27.5 +10.0000 H+ = + 5.0000 Ca++ + 6.0000 SiO2 + 15.5000 H2O - log_k 63.8445 - -delta_H -230.959 kJ/mol # Calculated enthalpy of reaction Tobermorite-14A + Ca5Si6H21O27.5 + 10 H+ = 5 Ca+2 + 6 SiO2 + 15.5 H2O + log_k 63.8445 + -delta_H -230.959 kJ/mol # Calculated enthalpy of reaction Tobermorite-14A # Enthalpy of formation: -2911.36 kcal/mol - -analytic -2.0789e+002 5.2472e-003 3.9698e+004 6.7797e+001 -2.7532e+006 + -analytic -2.0789e+2 5.2472e-3 3.9698e+4 6.7797e+1 -2.7532e+6 # -Range: 0-300 Tobermorite-9A - Ca5Si6H6O20 +10.0000 H+ = + 5.0000 Ca++ + 6.0000 SiO2 + 8.0000 H2O - log_k 69.0798 - -delta_H -329.557 kJ/mol # Calculated enthalpy of reaction Tobermorite-9A + Ca5Si6H6O20 + 10 H+ = 5 Ca+2 + 6 SiO2 + 8 H2O + log_k 69.0798 + -delta_H -329.557 kJ/mol # Calculated enthalpy of reaction Tobermorite-9A # Enthalpy of formation: -2375.42 kcal/mol - -analytic -6.3384e+001 1.1722e-002 3.8954e+004 1.2268e+001 -2.8681e+006 + -analytic -6.3384e+1 1.1722e-2 3.8954e+4 1.2268e+1 -2.8681e+6 # -Range: 0-300 Todorokite - Mn7O12:3H2O +16.0000 H+ = + 1.0000 MnO4-- + 6.0000 Mn+++ + 11.0000 H2O - log_k -45.8241 - -delta_H 0 # Not possible to calculate enthalpy of reaction Todorokite + Mn7O12:3H2O + 16 H+ = MnO4-2 + 6 Mn+3 + 11 H2O + log_k -45.8241 + -delta_H 0 # Not possible to calculate enthalpy of reaction Todorokite # Enthalpy of formation: 0 kcal/mol Torbernite - Cu(UO2)2(PO4)2 +2.0000 H+ = + 1.0000 Cu++ + 2.0000 HPO4-- + 2.0000 UO2++ - log_k -20.3225 - -delta_H -97.4022 kJ/mol # Calculated enthalpy of reaction Torbernite + Cu(UO2)2(PO4)2 + 2 H+ = Cu+2 + 2 HPO4-2 + 2 UO2+2 + log_k -20.3225 + -delta_H -97.4022 kJ/mol # Calculated enthalpy of reaction Torbernite # Enthalpy of formation: -1065.74 kcal/mol - -analytic -6.7128e+001 -4.5878e-002 3.5071e+003 1.9682e+001 5.9579e+001 + -analytic -6.7128e+1 -4.5878e-2 3.5071e+3 1.9682e+1 5.9579e+1 # -Range: 0-200 Tremolite - Ca2Mg5Si8O22(OH)2 +14.0000 H+ = + 2.0000 Ca++ + 5.0000 Mg++ + 8.0000 H2O + 8.0000 SiO2 - log_k 61.2367 - -delta_H -406.404 kJ/mol # Calculated enthalpy of reaction Tremolite + Ca2Mg5Si8O22(OH)2 + 14 H+ = 2 Ca+2 + 5 Mg+2 + 8 H2O + 8 SiO2 + log_k 61.2367 + -delta_H -406.404 kJ/mol # Calculated enthalpy of reaction Tremolite # Enthalpy of formation: -2944.04 kcal/mol - -analytic 8.5291e+001 4.6337e-002 3.9465e+004 -5.4414e+001 -3.1913e+006 + -analytic 8.5291e+1 4.6337e-2 3.9465e+4 -5.4414e+1 -3.1913e+6 # -Range: 0-300 Trevorite - NiFe2O4 +8.0000 H+ = + 1.0000 Ni++ + 2.0000 Fe+++ + 4.0000 H2O - log_k 9.7876 - -delta_H -215.338 kJ/mol # Calculated enthalpy of reaction Trevorite + NiFe2O4 + 8 H+ = Ni+2 + 2 Fe+3 + 4 H2O + log_k 9.7876 + -delta_H -215.338 kJ/mol # Calculated enthalpy of reaction Trevorite # Enthalpy of formation: -1081.15 kJ/mol - -analytic -1.4322e+002 -2.9429e-002 1.4518e+004 4.5698e+001 2.4658e+002 + -analytic -1.4322e+2 -2.9429e-2 1.4518e+4 4.5698e+1 2.4658e+2 # -Range: 0-200 Tridymite - SiO2 = + 1.0000 SiO2 - log_k -3.8278 - -delta_H 31.3664 kJ/mol # Calculated enthalpy of reaction Tridymite + SiO2 = SiO2 + log_k -3.8278 + -delta_H 31.3664 kJ/mol # Calculated enthalpy of reaction Tridymite # Enthalpy of formation: -909.065 kJ/mol - -analytic 3.1594e+002 6.9315e-002 -1.1358e+004 -1.2219e+002 -1.9299e+002 + -analytic 3.1594e+2 6.9315e-2 -1.1358e+4 -1.2219e+2 -1.9299e+2 # -Range: 0-200 Troilite - FeS +1.0000 H+ = + 1.0000 Fe++ + 1.0000 HS- - log_k -3.8184 - -delta_H -7.3296 kJ/mol # Calculated enthalpy of reaction Troilite + FeS + H+ = Fe+2 + HS- + log_k -3.8184 + -delta_H -7.3296 kJ/mol # Calculated enthalpy of reaction Troilite # Enthalpy of formation: -101.036 kJ/mol - -analytic -1.6146e+002 -5.3170e-002 4.0461e+003 6.4620e+001 6.3183e+001 + -analytic -1.6146e+2 -5.317e-2 4.0461e+3 6.462e+1 6.3183e+1 # -Range: 0-300 Trona-K - K2NaH(CO3)2:2H2O +1.0000 H+ = + 1.0000 Na+ + 2.0000 H2O + 2.0000 HCO3- + 2.0000 K+ - log_k 11.5891 - -delta_H 0 # Not possible to calculate enthalpy of reaction Trona-K + K2NaH(CO3)2:2H2O + H+ = Na+ + 2 H2O + 2 HCO3- + 2 K+ + log_k 11.5891 + -delta_H 0 # Not possible to calculate enthalpy of reaction Trona-K # Enthalpy of formation: 0 kcal/mol Tsumebite - Pb2Cu(PO4)(OH)3:3H2O +4.0000 H+ = + 1.0000 Cu++ + 1.0000 HPO4-- + 2.0000 Pb++ + 6.0000 H2O - log_k 2.5318 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tsumebite + Pb2Cu(PO4)(OH)3:3H2O + 4 H+ = Cu+2 + HPO4-2 + 2 Pb+2 + 6 H2O + log_k 2.5318 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tsumebite # Enthalpy of formation: 0 kcal/mol Tyuyamunite - Ca(UO2)2(VO4)2 = + 1.0000 Ca++ + 2.0000 UO2++ + 2.0000 VO4--- - log_k -53.3757 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tyuyamunite + Ca(UO2)2(VO4)2 = Ca+2 + 2 UO2+2 + 2 VO4-3 + log_k -53.3757 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tyuyamunite # Enthalpy of formation: -1164.52 kcal/mol U - U +2.0000 H+ +1.5000 O2 = + 1.0000 H2O + 1.0000 UO2++ - log_k 212.7800 - -delta_H -1286.64 kJ/mol # Calculated enthalpy of reaction U + U + 2 H+ + 1.5 O2 = H2O + UO2+2 + log_k 212.78 + -delta_H -1286.64 kJ/mol # Calculated enthalpy of reaction U # Enthalpy of formation: 0 kJ/mol - -analytic -2.4912e+002 -4.7104e-002 8.1115e+004 8.7008e+001 -1.0158e+006 + -analytic -2.4912e+2 -4.7104e-2 8.1115e+4 8.7008e+1 -1.0158e+6 # -Range: 0-300 U(CO3)2 - U(CO3)2 +2.0000 H+ = + 1.0000 U++++ + 2.0000 HCO3- - log_k 7.5227 - -delta_H -170.691 kJ/mol # Calculated enthalpy of reaction U(CO3)2 + U(CO3)2 + 2 H+ = U+4 + 2 HCO3- + log_k 7.5227 + -delta_H -170.691 kJ/mol # Calculated enthalpy of reaction U(CO3)2 # Enthalpy of formation: -1800.38 kJ/mol - -analytic -8.5952e+001 -2.5086e-002 1.0177e+004 2.7002e+001 1.7285e+002 + -analytic -8.5952e+1 -2.5086e-2 1.0177e+4 2.7002e+1 1.7285e+2 # -Range: 0-200 U(HPO4)2:4H2O - U(HPO4)2:4H2O = + 1.0000 U++++ + 2.0000 HPO4-- + 4.0000 H2O - log_k -32.8650 - -delta_H 16.1008 kJ/mol # Calculated enthalpy of reaction U(HPO4)2:4H2O + U(HPO4)2:4H2O = U+4 + 2 HPO4-2 + 4 H2O + log_k -32.865 + -delta_H 16.1008 kJ/mol # Calculated enthalpy of reaction U(HPO4)2:4H2O # Enthalpy of formation: -4334.82 kJ/mol - -analytic -3.8694e+002 -1.3874e-001 6.4882e+003 1.5099e+002 1.0136e+002 + -analytic -3.8694e+2 -1.3874e-1 6.4882e+3 1.5099e+2 1.0136e+2 # -Range: 0-300 U(OH)2SO4 - U(OH)2SO4 +2.0000 H+ = + 1.0000 SO4-- + 1.0000 U++++ + 2.0000 H2O - log_k -3.0731 - -delta_H 0 # Not possible to calculate enthalpy of reaction U(OH)2SO4 + U(OH)2SO4 + 2 H+ = SO4-2 + U+4 + 2 H2O + log_k -3.0731 + -delta_H 0 # Not possible to calculate enthalpy of reaction U(OH)2SO4 # Enthalpy of formation: 0 kcal/mol U(SO3)2 - U(SO3)2 = + 1.0000 U++++ + 2.0000 SO3-- - log_k -36.7499 - -delta_H 20.7008 kJ/mol # Calculated enthalpy of reaction U(SO3)2 + U(SO3)2 = U+4 + 2 SO3-2 + log_k -36.7499 + -delta_H 20.7008 kJ/mol # Calculated enthalpy of reaction U(SO3)2 # Enthalpy of formation: -1883 kJ/mol - -analytic 5.8113e+001 -2.9981e-002 -7.0503e+003 -2.5175e+001 -1.1974e+002 + -analytic 5.8113e+1 -2.9981e-2 -7.0503e+3 -2.5175e+1 -1.1974e+2 # -Range: 0-200 U(SO4)2 - U(SO4)2 = + 1.0000 U++++ + 2.0000 SO4-- - log_k -11.5178 - -delta_H -100.803 kJ/mol # Calculated enthalpy of reaction U(SO4)2 + U(SO4)2 = U+4 + 2 SO4-2 + log_k -11.5178 + -delta_H -100.803 kJ/mol # Calculated enthalpy of reaction U(SO4)2 # Enthalpy of formation: -2309.6 kJ/mol - -analytic 3.2215e+001 -2.8662e-002 7.1066e+002 -1.5190e+001 1.2057e+001 + -analytic 3.2215e+1 -2.8662e-2 7.1066e+2 -1.519e+1 1.2057e+1 # -Range: 0-200 U(SO4)2:4H2O - U(SO4)2:4H2O = + 1.0000 U++++ + 2.0000 SO4-- + 4.0000 H2O - log_k -11.5287 - -delta_H -70.5565 kJ/mol # Calculated enthalpy of reaction U(SO4)2:4H2O + U(SO4)2:4H2O = U+4 + 2 SO4-2 + 4 H2O + log_k -11.5287 + -delta_H -70.5565 kJ/mol # Calculated enthalpy of reaction U(SO4)2:4H2O # Enthalpy of formation: -3483.2 kJ/mol - -analytic -6.9548e+001 -2.9094e-002 3.8763e+003 2.1692e+001 6.5849e+001 + -analytic -6.9548e+1 -2.9094e-2 3.8763e+3 2.1692e+1 6.5849e+1 # -Range: 0-200 U(SO4)2:8H2O - U(SO4)2:8H2O = + 1.0000 U++++ + 2.0000 SO4-- + 8.0000 H2O - log_k -12.5558 - -delta_H -34.5098 kJ/mol # Calculated enthalpy of reaction U(SO4)2:8H2O + U(SO4)2:8H2O = U+4 + 2 SO4-2 + 8 H2O + log_k -12.5558 + -delta_H -34.5098 kJ/mol # Calculated enthalpy of reaction U(SO4)2:8H2O # Enthalpy of formation: -4662.6 kJ/mol - -analytic -1.7141e+002 -2.9548e-002 6.7423e+003 5.8614e+001 1.1455e+002 + -analytic -1.7141e+2 -2.9548e-2 6.7423e+3 5.8614e+1 1.1455e+2 # -Range: 0-200 U2C3 - U2C3 +4.5000 O2 +3.0000 H+ = + 2.0000 U+++ + 3.0000 HCO3- - log_k 455.3078 - -delta_H -2810.1 kJ/mol # Calculated enthalpy of reaction U2C3 + U2C3 + 4.5 O2 + 3 H+ = 2 U+3 + 3 HCO3- + log_k 455.3078 + -delta_H -2810.1 kJ/mol # Calculated enthalpy of reaction U2C3 # Enthalpy of formation: -183.3 kJ/mol - -analytic -3.8340e+002 -1.5374e-001 1.5922e+005 1.4643e+002 -1.0584e+006 + -analytic -3.834e+2 -1.5374e-1 1.5922e+5 1.4643e+2 -1.0584e+6 # -Range: 0-300 U2F9 - U2F9 +2.0000 H2O = + 1.0000 U++++ + 1.0000 UO2+ + 4.0000 H+ + 9.0000 F- - log_k -45.5022 - -delta_H -46.8557 kJ/mol # Calculated enthalpy of reaction U2F9 + U2F9 + 2 H2O = U+4 + UO2+ + 4 H+ + 9 F- + log_k -45.5022 + -delta_H -46.8557 kJ/mol # Calculated enthalpy of reaction U2F9 # Enthalpy of formation: -4015.92 kJ/mol - -analytic -8.8191e+002 -3.0477e-001 2.0493e+004 3.4690e+002 3.2003e+002 + -analytic -8.8191e+2 -3.0477e-1 2.0493e+4 3.469e+2 3.2003e+2 # -Range: 0-300 U2O2Cl5 - U2O2Cl5 = + 1.0000 U++++ + 1.0000 UO2+ + 5.0000 Cl- - log_k 19.2752 - -delta_H -254.325 kJ/mol # Calculated enthalpy of reaction U2O2Cl5 + U2O2Cl5 = U+4 + UO2+ + 5 Cl- + log_k 19.2752 + -delta_H -254.325 kJ/mol # Calculated enthalpy of reaction U2O2Cl5 # Enthalpy of formation: -2197.4 kJ/mol - -analytic -4.3945e+002 -1.6239e-001 2.1694e+004 1.7551e+002 3.3865e+002 + -analytic -4.3945e+2 -1.6239e-1 2.1694e+4 1.7551e+2 3.3865e+2 # -Range: 0-300 U2O3F6 - U2O3F6 +1.0000 H2O = + 2.0000 H+ + 2.0000 UO2++ + 6.0000 F- - log_k -2.5066 - -delta_H -185.047 kJ/mol # Calculated enthalpy of reaction U2O3F6 + U2O3F6 + H2O = 2 H+ + 2 UO2+2 + 6 F- + log_k -2.5066 + -delta_H -185.047 kJ/mol # Calculated enthalpy of reaction U2O3F6 # Enthalpy of formation: -3579.2 kJ/mol - -analytic -3.2332e+001 -5.9519e-002 5.7857e+003 1.1372e+001 9.8260e+001 + -analytic -3.2332e+1 -5.9519e-2 5.7857e+3 1.1372e+1 9.826e+1 # -Range: 0-200 U2S3 - U2S3 +3.0000 H+ = + 2.0000 U+++ + 3.0000 HS- - log_k 6.5279 - -delta_H -147.525 kJ/mol # Calculated enthalpy of reaction U2S3 + U2S3 + 3 H+ = 2 U+3 + 3 HS- + log_k 6.5279 + -delta_H -147.525 kJ/mol # Calculated enthalpy of reaction U2S3 # Enthalpy of formation: -879 kJ/mol - -analytic -3.0494e+002 -1.0983e-001 1.3647e+004 1.2059e+002 2.1304e+002 + -analytic -3.0494e+2 -1.0983e-1 1.3647e+4 1.2059e+2 2.1304e+2 # -Range: 0-300 U2Se3 - U2Se3 +4.5000 O2 = + 2.0000 U+++ + 3.0000 SeO3-- - log_k 248.0372 - -delta_H -1740.18 kJ/mol # Calculated enthalpy of reaction U2Se3 + U2Se3 + 4.5 O2 = 2 U+3 + 3 SeO3-2 + log_k 248.0372 + -delta_H -1740.18 kJ/mol # Calculated enthalpy of reaction U2Se3 # Enthalpy of formation: -711 kJ/mol - -analytic 4.9999e+002 -1.6488e-002 6.4991e+004 -1.8795e+002 1.1035e+003 + -analytic 4.9999e+2 -1.6488e-2 6.4991e+4 -1.8795e+2 1.1035e+3 # -Range: 0-200 U3As4 - U3As4 +5.2500 O2 +5.0000 H+ +1.5000 H2O = + 3.0000 U+++ + 4.0000 H2AsO3- - log_k 487.6802 - -delta_H -3114.02 kJ/mol # Calculated enthalpy of reaction U3As4 + U3As4 + 5.25 O2 + 5 H+ + 1.5 H2O = 3 U+3 + 4 H2AsO3- + log_k 487.6802 + -delta_H -3114.02 kJ/mol # Calculated enthalpy of reaction U3As4 # Enthalpy of formation: -720 kJ/mol - -analytic -9.0215e+002 -2.5804e-001 1.9974e+005 3.3331e+002 -2.4911e+006 + -analytic -9.0215e+2 -2.5804e-1 1.9974e+5 3.3331e+2 -2.4911e+6 # -Range: 0-300 U3O5F8 - U3O5F8 +1.0000 H2O = + 2.0000 H+ + 3.0000 UO2++ + 8.0000 F- - log_k -2.7436 - -delta_H -260.992 kJ/mol # Calculated enthalpy of reaction U3O5F8 + U3O5F8 + H2O = 2 H+ + 3 UO2+2 + 8 F- + log_k -2.7436 + -delta_H -260.992 kJ/mol # Calculated enthalpy of reaction U3O5F8 # Enthalpy of formation: -5192.95 kJ/mol - -analytic -7.7653e+002 -2.7294e-001 2.9180e+004 3.0599e+002 4.5556e+002 + -analytic -7.7653e+2 -2.7294e-1 2.918e+4 3.0599e+2 4.5556e+2 # -Range: 0-300 U3P4 - U3P4 +7.2500 O2 +1.5000 H2O +1.0000 H+ = + 3.0000 U+++ + 4.0000 HPO4-- - log_k 827.5586 - -delta_H -5275.9 kJ/mol # Calculated enthalpy of reaction U3P4 + U3P4 + 7.25 O2 + 1.5 H2O + H+ = 3 U+3 + 4 HPO4-2 + log_k 827.5586 + -delta_H -5275.9 kJ/mol # Calculated enthalpy of reaction U3P4 # Enthalpy of formation: -843 kJ/mol - -analytic -2.7243e+003 -6.2927e-001 4.0130e+005 1.0021e+003 -7.6720e+006 + -analytic -2.7243e+3 -6.2927e-1 4.013e+5 1.0021e+3 -7.672e+6 # -Range: 0-300 U3S5 - U3S5 +5.0000 H+ = + 1.0000 U++++ + 2.0000 U+++ + 5.0000 HS- - log_k -0.3680 - -delta_H -218.942 kJ/mol # Calculated enthalpy of reaction U3S5 + U3S5 + 5 H+ = U+4 + 2 U+3 + 5 HS- + log_k -0.368 + -delta_H -218.942 kJ/mol # Calculated enthalpy of reaction U3S5 # Enthalpy of formation: -1431 kJ/mol - -analytic -1.1011e+002 -6.7959e-002 1.0369e+004 3.8481e+001 1.7611e+002 + -analytic -1.1011e+2 -6.7959e-2 1.0369e+4 3.8481e+1 1.7611e+2 # -Range: 0-200 U3Sb4 - U3Sb4 +9.0000 H+ +5.2500 O2 +1.5000 H2O = + 3.0000 U+++ + 4.0000 Sb(OH)3 - log_k 575.0349 - -delta_H -3618.1 kJ/mol # Calculated enthalpy of reaction U3Sb4 + U3Sb4 + 9 H+ + 5.25 O2 + 1.5 H2O = 3 U+3 + 4 Sb(OH)3 + log_k 575.0349 + -delta_H -3618.1 kJ/mol # Calculated enthalpy of reaction U3Sb4 # Enthalpy of formation: -451.9 kJ/mol U3Se4 - U3Se4 +6.2500 O2 +1.0000 H+ = + 0.5000 H2O + 3.0000 U+++ + 4.0000 SeO3-- - log_k 375.2823 - -delta_H -2588.16 kJ/mol # Calculated enthalpy of reaction U3Se4 + U3Se4 + 6.25 O2 + H+ = 0.5 H2O + 3 U+3 + 4 SeO3-2 + log_k 375.2823 + -delta_H -2588.16 kJ/mol # Calculated enthalpy of reaction U3Se4 # Enthalpy of formation: -983 kJ/mol - -analytic 6.7219e+002 -2.2708e-002 1.0025e+005 -2.5317e+002 1.7021e+003 + -analytic 6.7219e+2 -2.2708e-2 1.0025e+5 -2.5317e+2 1.7021e+3 # -Range: 0-200 U3Se5 - U3Se5 +7.2500 O2 +0.5000 H2O = + 1.0000 H+ + 3.0000 U+++ + 5.0000 SeO3-- - log_k 376.5747 - -delta_H -2652.38 kJ/mol # Calculated enthalpy of reaction U3Se5 + U3Se5 + 7.25 O2 + 0.5 H2O = H+ + 3 U+3 + 5 SeO3-2 + log_k 376.5747 + -delta_H -2652.38 kJ/mol # Calculated enthalpy of reaction U3Se5 # Enthalpy of formation: -1130 kJ/mol - -analytic 8.3306e+002 -2.6526e-002 9.5737e+004 -3.1109e+002 1.6255e+003 + -analytic 8.3306e+2 -2.6526e-2 9.5737e+4 -3.1109e+2 1.6255e+3 # -Range: 0-200 U4F17 - U4F17 +2.0000 H2O = + 1.0000 UO2+ + 3.0000 U++++ + 4.0000 H+ + 17.0000 F- - log_k -104.7657 - -delta_H -78.2955 kJ/mol # Calculated enthalpy of reaction U4F17 + U4F17 + 2 H2O = UO2+ + 3 U+4 + 4 H+ + 17 F- + log_k -104.7657 + -delta_H -78.2955 kJ/mol # Calculated enthalpy of reaction U4F17 # Enthalpy of formation: -7849.66 kJ/mol - -analytic -1.7466e+003 -5.9186e-001 4.0017e+004 6.8046e+002 6.2494e+002 + -analytic -1.7466e+3 -5.9186e-1 4.0017e+4 6.8046e+2 6.2494e+2 # -Range: 0-300 U5O12Cl - U5O12Cl +4.0000 H+ = + 1.0000 Cl- + 2.0000 H2O + 5.0000 UO2+ - log_k -18.7797 - -delta_H -9.99133 kJ/mol # Calculated enthalpy of reaction U5O12Cl + U5O12Cl + 4 H+ = Cl- + 2 H2O + 5 UO2+ + log_k -18.7797 + -delta_H -9.99133 kJ/mol # Calculated enthalpy of reaction U5O12Cl # Enthalpy of formation: -5854.4 kJ/mol - -analytic -7.3802e+001 2.9180e-002 4.6804e+003 1.2371e+001 7.9503e+001 + -analytic -7.3802e+1 2.918e-2 4.6804e+3 1.2371e+1 7.9503e+1 # -Range: 0-200 UAs - UAs +2.0000 H+ +1.5000 O2 = + 1.0000 H2AsO3- + 1.0000 U+++ - log_k 149.0053 - -delta_H -951.394 kJ/mol # Calculated enthalpy of reaction UAs + UAs + 2 H+ + 1.5 O2 = H2AsO3- + U+3 + log_k 149.0053 + -delta_H -951.394 kJ/mol # Calculated enthalpy of reaction UAs # Enthalpy of formation: -234.3 kJ/mol - -analytic -5.0217e+001 -4.2992e-002 4.8480e+004 1.9964e+001 7.5650e+002 + -analytic -5.0217e+1 -4.2992e-2 4.848e+4 1.9964e+1 7.565e+2 # -Range: 0-300 UAs2 - UAs2 +2.2500 O2 +1.5000 H2O +1.0000 H+ = + 1.0000 U+++ + 2.0000 H2AsO3- - log_k 189.1058 - -delta_H -1210.63 kJ/mol # Calculated enthalpy of reaction UAs2 + UAs2 + 2.25 O2 + 1.5 H2O + H+ = U+3 + 2 H2AsO3- + log_k 189.1058 + -delta_H -1210.63 kJ/mol # Calculated enthalpy of reaction UAs2 # Enthalpy of formation: -252 kJ/mol - -analytic -8.7361e+001 -7.5252e-002 6.1445e+004 3.7485e+001 9.5881e+002 + -analytic -8.7361e+1 -7.5252e-2 6.1445e+4 3.7485e+1 9.5881e+2 # -Range: 0-300 UBr2Cl - UBr2Cl = + 1.0000 Cl- + 1.0000 U+++ + 2.0000 Br- - log_k 17.7796 - -delta_H -148.586 kJ/mol # Calculated enthalpy of reaction UBr2Cl + UBr2Cl = Cl- + U+3 + 2 Br- + log_k 17.7796 + -delta_H -148.586 kJ/mol # Calculated enthalpy of reaction UBr2Cl # Enthalpy of formation: -750.6 kJ/mol - -analytic 3.0364e+000 -3.2187e-002 5.2314e+003 2.7418e+000 8.8836e+001 + -analytic 3.0364e+0 -3.2187e-2 5.2314e+3 2.7418e+0 8.8836e+1 # -Range: 0-200 UBr2Cl2 - UBr2Cl2 = + 1.0000 U++++ + 2.0000 Br- + 2.0000 Cl- - log_k 26.2185 - -delta_H -260.466 kJ/mol # Calculated enthalpy of reaction UBr2Cl2 + UBr2Cl2 = U+4 + 2 Br- + 2 Cl- + log_k 26.2185 + -delta_H -260.466 kJ/mol # Calculated enthalpy of reaction UBr2Cl2 # Enthalpy of formation: -907.9 kJ/mol - -analytic 3.8089e+000 -3.8781e-002 1.0125e+004 0.0000e+000 0.0000e+000 + -analytic 3.8089e+0 -3.8781e-2 1.0125e+4 0e+0 0e+0 # -Range: 0-200 UBr3 - UBr3 = + 1.0000 U+++ + 3.0000 Br- - log_k 20.2249 - -delta_H -154.91 kJ/mol # Calculated enthalpy of reaction UBr3 + UBr3 = U+3 + 3 Br- + log_k 20.2249 + -delta_H -154.91 kJ/mol # Calculated enthalpy of reaction UBr3 # Enthalpy of formation: -698.7 kJ/mol - -analytic -2.4366e+002 -9.8651e-002 1.2538e+004 1.0151e+002 1.9572e+002 + -analytic -2.4366e+2 -9.8651e-2 1.2538e+4 1.0151e+2 1.9572e+2 # -Range: 0-300 UBr3Cl - UBr3Cl = + 1.0000 Cl- + 1.0000 U++++ + 3.0000 Br- - log_k 29.1178 - -delta_H -270.49 kJ/mol # Calculated enthalpy of reaction UBr3Cl + UBr3Cl = Cl- + U+4 + 3 Br- + log_k 29.1178 + -delta_H -270.49 kJ/mol # Calculated enthalpy of reaction UBr3Cl # Enthalpy of formation: -852.3 kJ/mol - -analytic 1.1204e+001 -3.7109e-002 1.0473e+004 -2.4905e+000 1.7784e+002 + -analytic 1.1204e+1 -3.7109e-2 1.0473e+4 -2.4905e+0 1.7784e+2 # -Range: 0-200 UBr4 - UBr4 = + 1.0000 U++++ + 4.0000 Br- - log_k 31.2904 - -delta_H -275.113 kJ/mol # Calculated enthalpy of reaction UBr4 + UBr4 = U+4 + 4 Br- + log_k 31.2904 + -delta_H -275.113 kJ/mol # Calculated enthalpy of reaction UBr4 # Enthalpy of formation: -802.1 kJ/mol - -analytic -3.3800e+002 -1.2940e-001 2.0674e+004 1.3678e+002 3.2270e+002 + -analytic -3.38e+2 -1.294e-1 2.0674e+4 1.3678e+2 3.227e+2 # -Range: 0-300 UBr5 - UBr5 +2.0000 H2O = + 1.0000 UO2+ + 4.0000 H+ + 5.0000 Br- - log_k 41.6312 - -delta_H -250.567 kJ/mol # Calculated enthalpy of reaction UBr5 + UBr5 + 2 H2O = UO2+ + 4 H+ + 5 Br- + log_k 41.6312 + -delta_H -250.567 kJ/mol # Calculated enthalpy of reaction UBr5 # Enthalpy of formation: -810.4 kJ/mol - -analytic -3.2773e+002 -1.4356e-001 1.8709e+004 1.4117e+002 2.9204e+002 + -analytic -3.2773e+2 -1.4356e-1 1.8709e+4 1.4117e+2 2.9204e+2 # -Range: 0-300 UBrCl2 - UBrCl2 = + 1.0000 Br- + 1.0000 U+++ + 2.0000 Cl- - log_k 14.5048 - -delta_H -132.663 kJ/mol # Calculated enthalpy of reaction UBrCl2 + UBrCl2 = Br- + U+3 + 2 Cl- + log_k 14.5048 + -delta_H -132.663 kJ/mol # Calculated enthalpy of reaction UBrCl2 # Enthalpy of formation: -812.1 kJ/mol - -analytic -5.3713e+000 -3.4256e-002 4.6251e+003 5.8875e+000 7.8542e+001 + -analytic -5.3713e+0 -3.4256e-2 4.6251e+3 5.8875e+0 7.8542e+1 # -Range: 0-200 UBrCl3 - UBrCl3 = + 1.0000 Br- + 1.0000 U++++ + 3.0000 Cl- - log_k 23.5258 - -delta_H -246.642 kJ/mol # Calculated enthalpy of reaction UBrCl3 + UBrCl3 = Br- + U+4 + 3 Cl- + log_k 23.5258 + -delta_H -246.642 kJ/mol # Calculated enthalpy of reaction UBrCl3 # Enthalpy of formation: -967.3 kJ/mol - -analytic -5.6867e+000 -4.1166e-002 9.6664e+003 3.6579e+000 1.6415e+002 + -analytic -5.6867e+0 -4.1166e-2 9.6664e+3 3.6579e+0 1.6415e+2 # -Range: 0-200 UC - UC +2.0000 H+ +1.7500 O2 = + 0.5000 H2O + 1.0000 HCO3- + 1.0000 U+++ - log_k 194.8241 - -delta_H -1202.82 kJ/mol # Calculated enthalpy of reaction UC + UC + 2 H+ + 1.75 O2 = 0.5 H2O + HCO3- + U+3 + log_k 194.8241 + -delta_H -1202.82 kJ/mol # Calculated enthalpy of reaction UC # Enthalpy of formation: -97.9 kJ/mol - -analytic -4.6329e+001 -4.4600e-002 6.1417e+004 1.9566e+001 9.5836e+002 + -analytic -4.6329e+1 -4.46e-2 6.1417e+4 1.9566e+1 9.5836e+2 # -Range: 0-300 UC1.94(alpha) - UC1.94 +2.6900 O2 +1.0600 H+ +0.4400 H2O = + 1.0000 U+++ + 1.9400 HCO3- - log_k 257.1619 - -delta_H -1583.84 kJ/mol # Calculated enthalpy of reaction UC1.94(alpha) + UC1.94 + 2.69 O2 + 1.06 H+ + 0.44 H2O = U+3 + 1.94 HCO3- + log_k 257.1619 + -delta_H -1583.84 kJ/mol # Calculated enthalpy of reaction UC1.94(alpha) # Enthalpy of formation: -85.324 kJ/mol - -analytic -5.8194e+002 -1.4610e-001 1.0917e+005 2.1638e+002 -1.6852e+006 + -analytic -5.8194e+2 -1.461e-1 1.0917e+5 2.1638e+2 -1.6852e+6 # -Range: 0-300 UCl2F2 - UCl2F2 = + 1.0000 U++++ + 2.0000 Cl- + 2.0000 F- - log_k -3.5085 - -delta_H -130.055 kJ/mol # Calculated enthalpy of reaction UCl2F2 + UCl2F2 = U+4 + 2 Cl- + 2 F- + log_k -3.5085 + -delta_H -130.055 kJ/mol # Calculated enthalpy of reaction UCl2F2 # Enthalpy of formation: -1466 kJ/mol - -analytic -3.9662e+002 -1.3879e-001 1.4710e+004 1.5562e+002 2.2965e+002 + -analytic -3.9662e+2 -1.3879e-1 1.471e+4 1.5562e+2 2.2965e+2 # -Range: 0-300 UCl2I2 - UCl2I2 = + 1.0000 U++++ + 2.0000 Cl- + 2.0000 I- - log_k 30.2962 - -delta_H -270.364 kJ/mol # Calculated enthalpy of reaction UCl2I2 + UCl2I2 = U+4 + 2 Cl- + 2 I- + log_k 30.2962 + -delta_H -270.364 kJ/mol # Calculated enthalpy of reaction UCl2I2 # Enthalpy of formation: -768.8 kJ/mol - -analytic -1.2922e+001 -4.3178e-002 1.1219e+004 7.4562e+000 1.9052e+002 + -analytic -1.2922e+1 -4.3178e-2 1.1219e+4 7.4562e+0 1.9052e+2 # -Range: 0-200 UCl3 - UCl3 = + 1.0000 U+++ + 3.0000 Cl- - log_k 13.0062 - -delta_H -126.639 kJ/mol # Calculated enthalpy of reaction UCl3 + UCl3 = U+3 + 3 Cl- + log_k 13.0062 + -delta_H -126.639 kJ/mol # Calculated enthalpy of reaction UCl3 # Enthalpy of formation: -863.7 kJ/mol - -analytic -2.6388e+002 -1.0241e-001 1.1629e+004 1.0846e+002 1.8155e+002 + -analytic -2.6388e+2 -1.0241e-1 1.1629e+4 1.0846e+2 1.8155e+2 # -Range: 0-300 UCl3F - UCl3F = + 1.0000 F- + 1.0000 U++++ + 3.0000 Cl- - log_k 10.3200 - -delta_H -184.787 kJ/mol # Calculated enthalpy of reaction UCl3F + UCl3F = F- + U+4 + 3 Cl- + log_k 10.32 + -delta_H -184.787 kJ/mol # Calculated enthalpy of reaction UCl3F # Enthalpy of formation: -1243 kJ/mol - -analytic -3.7971e+002 -1.3681e-001 1.7127e+004 1.5086e+002 2.6736e+002 + -analytic -3.7971e+2 -1.3681e-1 1.7127e+4 1.5086e+2 2.6736e+2 # -Range: 0-300 UCl3I - UCl3I = + 1.0000 I- + 1.0000 U++++ + 3.0000 Cl- - log_k 25.5388 - -delta_H -251.041 kJ/mol # Calculated enthalpy of reaction UCl3I + UCl3I = I- + U+4 + 3 Cl- + log_k 25.5388 + -delta_H -251.041 kJ/mol # Calculated enthalpy of reaction UCl3I # Enthalpy of formation: -898.3 kJ/mol - -analytic -1.3362e+001 -4.3214e-002 1.0167e+004 7.1426e+000 1.7265e+002 + -analytic -1.3362e+1 -4.3214e-2 1.0167e+4 7.1426e+0 1.7265e+2 # -Range: 0-200 UCl4 - UCl4 = + 1.0000 U++++ + 4.0000 Cl- - log_k 21.9769 - -delta_H -240.719 kJ/mol # Calculated enthalpy of reaction UCl4 + UCl4 = U+4 + 4 Cl- + log_k 21.9769 + -delta_H -240.719 kJ/mol # Calculated enthalpy of reaction UCl4 # Enthalpy of formation: -1018.8 kJ/mol - -analytic -3.6881e+002 -1.3618e-001 1.9685e+004 1.4763e+002 3.0727e+002 + -analytic -3.6881e+2 -1.3618e-1 1.9685e+4 1.4763e+2 3.0727e+2 # -Range: 0-300 UCl5 - UCl5 +2.0000 H2O = + 1.0000 UO2+ + 4.0000 H+ + 5.0000 Cl- - log_k 37.3147 - -delta_H -249.849 kJ/mol # Calculated enthalpy of reaction UCl5 + UCl5 + 2 H2O = UO2+ + 4 H+ + 5 Cl- + log_k 37.3147 + -delta_H -249.849 kJ/mol # Calculated enthalpy of reaction UCl5 # Enthalpy of formation: -1039 kJ/mol - -analytic -3.6392e+002 -1.5133e-001 1.9617e+004 1.5376e+002 3.0622e+002 + -analytic -3.6392e+2 -1.5133e-1 1.9617e+4 1.5376e+2 3.0622e+2 # -Range: 0-300 UCl6 - UCl6 +2.0000 H2O = + 1.0000 UO2++ + 4.0000 H+ + 6.0000 Cl- - log_k 57.5888 - -delta_H -383.301 kJ/mol # Calculated enthalpy of reaction UCl6 + UCl6 + 2 H2O = UO2+2 + 4 H+ + 6 Cl- + log_k 57.5888 + -delta_H -383.301 kJ/mol # Calculated enthalpy of reaction UCl6 # Enthalpy of formation: -1066.5 kJ/mol - -analytic -4.5589e+002 -1.9203e-001 2.8029e+004 1.9262e+002 4.3750e+002 + -analytic -4.5589e+2 -1.9203e-1 2.8029e+4 1.9262e+2 4.375e+2 # -Range: 0-300 UClF3 - UClF3 = + 1.0000 Cl- + 1.0000 U++++ + 3.0000 F- - log_k -17.5122 - -delta_H -74.3225 kJ/mol # Calculated enthalpy of reaction UClF3 + UClF3 = Cl- + U+4 + 3 F- + log_k -17.5122 + -delta_H -74.3225 kJ/mol # Calculated enthalpy of reaction UClF3 # Enthalpy of formation: -1690 kJ/mol - -analytic -4.1346e+002 -1.4077e-001 1.2237e+004 1.6036e+002 1.9107e+002 + -analytic -4.1346e+2 -1.4077e-1 1.2237e+4 1.6036e+2 1.9107e+2 # -Range: 0-300 UClI3 - UClI3 = + 1.0000 Cl- + 1.0000 U++++ + 3.0000 I- - log_k 35.2367 - -delta_H -285.187 kJ/mol # Calculated enthalpy of reaction UClI3 + UClI3 = Cl- + U+4 + 3 I- + log_k 35.2367 + -delta_H -285.187 kJ/mol # Calculated enthalpy of reaction UClI3 # Enthalpy of formation: -643.8 kJ/mol - -analytic -1.1799e+001 -4.3208e-002 1.2045e+004 7.8829e+000 2.0455e+002 + -analytic -1.1799e+1 -4.3208e-2 1.2045e+4 7.8829e+0 2.0455e+2 # -Range: 0-200 UF3 - UF3 = + 1.0000 U+++ + 3.0000 F- - log_k -19.4125 - -delta_H 6.2572 kJ/mol # Calculated enthalpy of reaction UF3 + UF3 = U+3 + 3 F- + log_k -19.4125 + -delta_H 6.2572 kJ/mol # Calculated enthalpy of reaction UF3 # Enthalpy of formation: -1501.4 kJ/mol - -analytic -3.1530e+002 -1.0945e-001 6.1335e+003 1.2443e+002 9.5799e+001 + -analytic -3.153e+2 -1.0945e-1 6.1335e+3 1.2443e+2 9.5799e+1 # -Range: 0-300 UF4 - UF4 = + 1.0000 U++++ + 4.0000 F- - log_k -29.2004 - -delta_H -18.3904 kJ/mol # Calculated enthalpy of reaction UF4 + UF4 = U+4 + 4 F- + log_k -29.2004 + -delta_H -18.3904 kJ/mol # Calculated enthalpy of reaction UF4 # Enthalpy of formation: -1914.2 kJ/mol - -analytic -4.2411e+002 -1.4147e-001 9.6621e+003 1.6352e+002 1.5089e+002 + -analytic -4.2411e+2 -1.4147e-1 9.6621e+3 1.6352e+2 1.5089e+2 # -Range: 0-300 UF4:2.5H2O - UF4:2.5H2O = + 1.0000 U++++ + 2.5000 H2O + 4.0000 F- - log_k -33.3685 - -delta_H 24.2888 kJ/mol # Calculated enthalpy of reaction UF4:2.5H2O + UF4:2.5H2O = U+4 + 2.5 H2O + 4 F- + log_k -33.3685 + -delta_H 24.2888 kJ/mol # Calculated enthalpy of reaction UF4:2.5H2O # Enthalpy of formation: -2671.47 kJ/mol - -analytic -4.4218e+002 -1.4305e-001 8.2922e+003 1.7118e+002 1.2952e+002 + -analytic -4.4218e+2 -1.4305e-1 8.2922e+3 1.7118e+2 1.2952e+2 # -Range: 0-300 UF5(alpha) - UF5 +2.0000 H2O = + 1.0000 UO2+ + 4.0000 H+ + 5.0000 F- - log_k -12.8376 - -delta_H -54.8883 kJ/mol # Calculated enthalpy of reaction UF5(alpha) + UF5 + 2 H2O = UO2+ + 4 H+ + 5 F- + log_k -12.8376 + -delta_H -54.8883 kJ/mol # Calculated enthalpy of reaction UF5(alpha) # Enthalpy of formation: -2075.3 kJ/mol - -analytic -4.5126e+002 -1.6121e-001 1.1997e+004 1.8030e+002 1.8733e+002 + -analytic -4.5126e+2 -1.6121e-1 1.1997e+4 1.803e+2 1.8733e+2 # -Range: 0-300 UF5(beta) - UF5 +2.0000 H2O = + 1.0000 UO2+ + 4.0000 H+ + 5.0000 F- - log_k -13.1718 - -delta_H -46.9883 kJ/mol # Calculated enthalpy of reaction UF5(beta) + UF5 + 2 H2O = UO2+ + 4 H+ + 5 F- + log_k -13.1718 + -delta_H -46.9883 kJ/mol # Calculated enthalpy of reaction UF5(beta) # Enthalpy of formation: -2083.2 kJ/mol - -analytic -4.5020e+002 -1.6121e-001 1.1584e+004 1.8030e+002 1.8089e+002 + -analytic -4.502e+2 -1.6121e-1 1.1584e+4 1.803e+2 1.8089e+2 # -Range: 0-300 UF6 - UF6 +2.0000 H2O = + 1.0000 UO2++ + 4.0000 H+ + 6.0000 F- - log_k 17.4292 - -delta_H -261.709 kJ/mol # Calculated enthalpy of reaction UF6 + UF6 + 2 H2O = UO2+2 + 4 H+ + 6 F- + log_k 17.4292 + -delta_H -261.709 kJ/mol # Calculated enthalpy of reaction UF6 # Enthalpy of formation: -2197.7 kJ/mol - -analytic -5.8427e+002 -2.1223e-001 2.5296e+004 2.3440e+002 3.9489e+002 + -analytic -5.8427e+2 -2.1223e-1 2.5296e+4 2.344e+2 3.9489e+2 # -Range: 0-300 UH3(beta) - UH3 +3.0000 H+ +1.5000 O2 = + 1.0000 U+++ + 3.0000 H2O - log_k 199.7683 - -delta_H -1201.43 kJ/mol # Calculated enthalpy of reaction UH3(beta) + UH3 + 3 H+ + 1.5 O2 = U+3 + 3 H2O + log_k 199.7683 + -delta_H -1201.43 kJ/mol # Calculated enthalpy of reaction UH3(beta) # Enthalpy of formation: -126.98 kJ/mol - -analytic 5.2870e+001 4.2151e-003 6.0167e+004 -2.2701e+001 1.0217e+003 + -analytic 5.287e+1 4.2151e-3 6.0167e+4 -2.2701e+1 1.0217e+3 # -Range: 0-200 UI3 - UI3 = + 1.0000 U+++ + 3.0000 I- - log_k 29.0157 - -delta_H -192.407 kJ/mol # Calculated enthalpy of reaction UI3 + UI3 = U+3 + 3 I- + log_k 29.0157 + -delta_H -192.407 kJ/mol # Calculated enthalpy of reaction UI3 # Enthalpy of formation: -467.4 kJ/mol - -analytic -2.4505e+002 -9.9867e-002 1.4579e+004 1.0301e+002 2.2757e+002 + -analytic -2.4505e+2 -9.9867e-2 1.4579e+4 1.0301e+2 2.2757e+2 # -Range: 0-300 UI4 - UI4 = + 1.0000 U++++ + 4.0000 I- - log_k 39.3102 - -delta_H -300.01 kJ/mol # Calculated enthalpy of reaction UI4 + UI4 = U+4 + 4 I- + log_k 39.3102 + -delta_H -300.01 kJ/mol # Calculated enthalpy of reaction UI4 # Enthalpy of formation: -518.8 kJ/mol - -analytic -3.4618e+002 -1.3227e-001 2.2320e+004 1.4145e+002 3.4839e+002 + -analytic -3.4618e+2 -1.3227e-1 2.232e+4 1.4145e+2 3.4839e+2 # -Range: 0-300 UN - UN +3.0000 H+ = + 1.0000 NH3 + 1.0000 U+++ - log_k 41.7130 - -delta_H -280.437 kJ/mol # Calculated enthalpy of reaction UN + UN + 3 H+ = NH3 + U+3 + log_k 41.713 + -delta_H -280.437 kJ/mol # Calculated enthalpy of reaction UN # Enthalpy of formation: -290 kJ/mol - -analytic -1.6393e+002 -1.1679e-003 2.8845e+003 6.5637e+001 3.0122e+006 + -analytic -1.6393e+2 -1.1679e-3 2.8845e+3 6.5637e+1 3.0122e+6 # -Range: 0-300 UN1.59(alpha) - UN1.59 +1.8850 H2O +1.0000 H+ +0.0575 O2 = + 1.0000 UO2+ + 1.5900 NH3 - log_k 38.3930 - -delta_H -235.75 kJ/mol # Calculated enthalpy of reaction UN1.59(alpha) + UN1.59 + 1.885 H2O + H+ + 0.0575 O2 = UO2+ + 1.59 NH3 + log_k 38.393 + -delta_H -235.75 kJ/mol # Calculated enthalpy of reaction UN1.59(alpha) # Enthalpy of formation: -379.2 kJ/mol - -analytic 1.8304e+001 1.1109e-002 1.2064e+004 -9.5741e+000 2.0485e+002 + -analytic 1.8304e+1 1.1109e-2 1.2064e+4 -9.5741e+0 2.0485e+2 # -Range: 0-200 UN1.73(alpha) - UN1.73 +2.0950 H2O +1.0000 H+ = + 0.0475 O2 + 1.0000 UO2+ + 1.7300 NH3 - log_k 27.2932 - -delta_H -169.085 kJ/mol # Calculated enthalpy of reaction UN1.73(alpha) + UN1.73 + 2.095 H2O + H+ = 0.0475 O2 + UO2+ + 1.73 NH3 + log_k 27.2932 + -delta_H -169.085 kJ/mol # Calculated enthalpy of reaction UN1.73(alpha) # Enthalpy of formation: -398.5 kJ/mol - -analytic 1.0012e+001 1.0398e-002 8.9348e+003 -6.3817e+000 1.5172e+002 + -analytic 1.0012e+1 1.0398e-2 8.9348e+3 -6.3817e+0 1.5172e+2 # -Range: 0-200 UO2(AsO3)2 - UO2(AsO3)2 +2.0000 H2O = + 1.0000 UO2++ + 2.0000 H2AsO4- - log_k 6.9377 - -delta_H -109.843 kJ/mol # Calculated enthalpy of reaction UO2(AsO3)2 + UO2(AsO3)2 + 2 H2O = UO2+2 + 2 H2AsO4- + log_k 6.9377 + -delta_H -109.843 kJ/mol # Calculated enthalpy of reaction UO2(AsO3)2 # Enthalpy of formation: -2156.6 kJ/mol - -analytic -1.6050e+002 -6.6472e-002 8.2129e+003 6.4533e+001 1.2820e+002 + -analytic -1.605e+2 -6.6472e-2 8.2129e+3 6.4533e+1 1.282e+2 # -Range: 0-300 UO2(IO3)2 - UO2(IO3)2 = + 1.0000 UO2++ + 2.0000 IO3- - log_k -7.2871 - -delta_H -0.3862 kJ/mol # Calculated enthalpy of reaction UO2(IO3)2 + UO2(IO3)2 = UO2+2 + 2 IO3- + log_k -7.2871 + -delta_H -0.3862 kJ/mol # Calculated enthalpy of reaction UO2(IO3)2 # Enthalpy of formation: -1461.28 kJ/mol - -analytic -2.7047e+001 -1.4267e-002 -1.5055e+001 9.7226e+000 -2.4640e-001 + -analytic -2.7047e+1 -1.4267e-2 -1.5055e+1 9.7226e+0 -2.464e-1 # -Range: 0-200 UO2(NO3)2 - UO2(NO3)2 = + 1.0000 UO2++ + 2.0000 NO3- - log_k 11.9598 - -delta_H -81.6219 kJ/mol # Calculated enthalpy of reaction UO2(NO3)2 + UO2(NO3)2 = UO2+2 + 2 NO3- + log_k 11.9598 + -delta_H -81.6219 kJ/mol # Calculated enthalpy of reaction UO2(NO3)2 # Enthalpy of formation: -1351 kJ/mol - -analytic -1.2216e+001 -1.1261e-002 3.9895e+003 5.7166e+000 6.7751e+001 + -analytic -1.2216e+1 -1.1261e-2 3.9895e+3 5.7166e+0 6.7751e+1 # -Range: 0-200 UO2(NO3)2:2H2O - UO2(NO3)2:2H2O = + 1.0000 UO2++ + 2.0000 H2O + 2.0000 NO3- - log_k 4.9446 - -delta_H -25.5995 kJ/mol # Calculated enthalpy of reaction UO2(NO3)2:2H2O + UO2(NO3)2:2H2O = UO2+2 + 2 H2O + 2 NO3- + log_k 4.9446 + -delta_H -25.5995 kJ/mol # Calculated enthalpy of reaction UO2(NO3)2:2H2O # Enthalpy of formation: -1978.7 kJ/mol - -analytic -1.3989e+002 -5.2130e-002 4.3758e+003 5.8868e+001 6.8322e+001 + -analytic -1.3989e+2 -5.213e-2 4.3758e+3 5.8868e+1 6.8322e+1 # -Range: 0-300 UO2(NO3)2:3H2O - UO2(NO3)2:3H2O = + 1.0000 UO2++ + 2.0000 NO3- + 3.0000 H2O - log_k 3.7161 - -delta_H -9.73686 kJ/mol # Calculated enthalpy of reaction UO2(NO3)2:3H2O + UO2(NO3)2:3H2O = UO2+2 + 2 NO3- + 3 H2O + log_k 3.7161 + -delta_H -9.73686 kJ/mol # Calculated enthalpy of reaction UO2(NO3)2:3H2O # Enthalpy of formation: -2280.4 kJ/mol - -analytic -1.5037e+002 -5.2234e-002 4.0783e+003 6.3024e+001 6.3682e+001 + -analytic -1.5037e+2 -5.2234e-2 4.0783e+3 6.3024e+1 6.3682e+1 # -Range: 0-300 UO2(NO3)2:6H2O - UO2(NO3)2:6H2O = + 1.0000 UO2++ + 2.0000 NO3- + 6.0000 H2O - log_k 2.3189 - -delta_H 19.8482 kJ/mol # Calculated enthalpy of reaction UO2(NO3)2:6H2O + UO2(NO3)2:6H2O = UO2+2 + 2 NO3- + 6 H2O + log_k 2.3189 + -delta_H 19.8482 kJ/mol # Calculated enthalpy of reaction UO2(NO3)2:6H2O # Enthalpy of formation: -3167.5 kJ/mol - -analytic -1.4019e+002 -4.3682e-002 2.7842e+003 5.9070e+001 4.3486e+001 + -analytic -1.4019e+2 -4.3682e-2 2.7842e+3 5.907e+1 4.3486e+1 # -Range: 0-300 UO2(NO3)2:H2O - UO2(NO3)2:H2O = + 1.0000 H2O + 1.0000 UO2++ + 2.0000 NO3- - log_k 8.5103 - -delta_H -54.4602 kJ/mol # Calculated enthalpy of reaction UO2(NO3)2:H2O + UO2(NO3)2:H2O = H2O + UO2+2 + 2 NO3- + log_k 8.5103 + -delta_H -54.4602 kJ/mol # Calculated enthalpy of reaction UO2(NO3)2:H2O # Enthalpy of formation: -1664 kJ/mol - -analytic -3.7575e+001 -1.1342e-002 3.7548e+003 1.4899e+001 6.3776e+001 + -analytic -3.7575e+1 -1.1342e-2 3.7548e+3 1.4899e+1 6.3776e+1 # -Range: 0-200 UO2(OH)2(beta) - UO2(OH)2 +2.0000 H+ = + 1.0000 UO2++ + 2.0000 H2O - log_k 4.9457 - -delta_H -56.8767 kJ/mol # Calculated enthalpy of reaction UO2(OH)2(beta) + UO2(OH)2 + 2 H+ = UO2+2 + 2 H2O + log_k 4.9457 + -delta_H -56.8767 kJ/mol # Calculated enthalpy of reaction UO2(OH)2(beta) # Enthalpy of formation: -1533.8 kJ/mol - -analytic -1.7478e+001 -1.6806e-003 3.4226e+003 4.6260e+000 5.3412e+001 + -analytic -1.7478e+1 -1.6806e-3 3.4226e+3 4.626e+0 5.3412e+1 # -Range: 0-300 UO2(PO3)2 - UO2(PO3)2 +2.0000 H2O = + 1.0000 UO2++ + 2.0000 H+ + 2.0000 HPO4-- - log_k -16.2805 - -delta_H -58.4873 kJ/mol # Calculated enthalpy of reaction UO2(PO3)2 + UO2(PO3)2 + 2 H2O = UO2+2 + 2 H+ + 2 HPO4-2 + log_k -16.2805 + -delta_H -58.4873 kJ/mol # Calculated enthalpy of reaction UO2(PO3)2 # Enthalpy of formation: -2973 kJ/mol - -analytic -3.2995e+002 -1.3747e-001 8.0652e+003 1.3237e+002 1.2595e+002 + -analytic -3.2995e+2 -1.3747e-1 8.0652e+3 1.3237e+2 1.2595e+2 # -Range: 0-300 UO2(am) - UO2 +4.0000 H+ = + 1.0000 U++++ + 2.0000 H2O - log_k 0.1091 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(am) + UO2 + 4 H+ = U+4 + 2 H2O + log_k 0.1091 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(am) # Enthalpy of formation: 0 kcal/mol UO2.25 - UO2.25 +2.5000 H+ = + 0.5000 U++++ + 0.5000 UO2+ + 1.2500 H2O - log_k -4.8193 - -delta_H -37.1614 kJ/mol # Calculated enthalpy of reaction UO2.25 + UO2.25 + 2.5 H+ = 0.5 U+4 + 0.5 UO2+ + 1.25 H2O + log_k -4.8193 + -delta_H -37.1614 kJ/mol # Calculated enthalpy of reaction UO2.25 # Enthalpy of formation: -1128.3 kJ/mol - -analytic -1.9073e+002 -4.1793e-002 7.3391e+003 7.0213e+001 1.1457e+002 + -analytic -1.9073e+2 -4.1793e-2 7.3391e+3 7.0213e+1 1.1457e+2 # -Range: 0-300 UO2.25(beta) - UO2.25 +2.5000 H+ = + 0.5000 U++++ + 0.5000 UO2+ + 1.2500 H2O - log_k -4.7593 - -delta_H -38.0614 kJ/mol # Calculated enthalpy of reaction UO2.25(beta) + UO2.25 + 2.5 H+ = 0.5 U+4 + 0.5 UO2+ + 1.25 H2O + log_k -4.7593 + -delta_H -38.0614 kJ/mol # Calculated enthalpy of reaction UO2.25(beta) # Enthalpy of formation: -1127.4 kJ/mol - -analytic -3.6654e+001 -2.4013e-003 2.9632e+003 9.1625e+000 4.6249e+001 + -analytic -3.6654e+1 -2.4013e-3 2.9632e+3 9.1625e+0 4.6249e+1 # -Range: 0-300 UO2.3333(beta) # UO2.3333 +8.0000 H+ = + 0.3333 O2 + 2.0000 U++++ + 4.0000 H2O - (UO2.3333)2 + 8.0000 H+ = 0.3333 O2 + 2.0000 U++++ + 4.0000 H2O - log_k -27.7177 - -delta_H -1187.8 kJ/mol # Calculated enthalpy of reaction UO2.3333(beta) + (UO2.3333)2 + 8 H+ = 0.3333 O2 + 2 U+4 + 4 H2O + log_k -27.7177 + -delta_H -1187.8 kJ/mol # Calculated enthalpy of reaction UO2.3333(beta) # Enthalpy of formation: -1142 kJ/mol - -analytic -7.4790e+000 -6.8382e-004 -2.7277e+003 -7.2107e+000 6.1873e+005 + -analytic -7.479e+0 -6.8382e-4 -2.7277e+3 -7.2107e+0 6.1873e+5 # -Range: 0-300 UO2.6667 # UO2.6667 +8.0000 H+ = + 0.6667 O2 + 2.0000 U++++ + 4.0000 H2O - (UO2.6667)2 +8.0000 H+ = + 0.6667 O2 + 2.0000 U++++ + 4.0000 H2O - log_k -43.6051 - -delta_H -1142.24 kJ/mol # Calculated enthalpy of reaction UO2.6667 + (UO2.6667)2 + 8 H+ = 0.6667 O2 + 2 U+4 + 4 H2O + log_k -43.6051 + -delta_H -1142.24 kJ/mol # Calculated enthalpy of reaction UO2.6667 # Enthalpy of formation: -1191.6 kJ/mol - -analytic 1.2095e+002 2.0118e-002 -1.4968e+004 -5.3552e+001 1.0813e+006 + -analytic 1.2095e+2 2.0118e-2 -1.4968e+4 -5.3552e+1 1.0813e+6 # -Range: 0-300 UO2Br2 - UO2Br2 = + 1.0000 UO2++ + 2.0000 Br- - log_k 16.5103 - -delta_H -124.607 kJ/mol # Calculated enthalpy of reaction UO2Br2 + UO2Br2 = UO2+2 + 2 Br- + log_k 16.5103 + -delta_H -124.607 kJ/mol # Calculated enthalpy of reaction UO2Br2 # Enthalpy of formation: -1137.4 kJ/mol - -analytic -1.4876e+002 -6.2715e-002 9.0200e+003 6.2108e+001 1.4079e+002 + -analytic -1.4876e+2 -6.2715e-2 9.02e+3 6.2108e+1 1.4079e+2 # -Range: 0-300 UO2Br2:3H2O - UO2Br2:3H2O = + 1.0000 UO2++ + 2.0000 Br- + 3.0000 H2O - log_k 9.4113 - -delta_H -61.5217 kJ/mol # Calculated enthalpy of reaction UO2Br2:3H2O + UO2Br2:3H2O = UO2+2 + 2 Br- + 3 H2O + log_k 9.4113 + -delta_H -61.5217 kJ/mol # Calculated enthalpy of reaction UO2Br2:3H2O # Enthalpy of formation: -2058 kJ/mol - -analytic -6.8507e+001 -1.6834e-002 5.1409e+003 2.6546e+001 8.7324e+001 + -analytic -6.8507e+1 -1.6834e-2 5.1409e+3 2.6546e+1 8.7324e+1 # -Range: 0-200 UO2Br2:H2O - UO2Br2:H2O = + 1.0000 H2O + 1.0000 UO2++ + 2.0000 Br- - log_k 12.1233 - -delta_H -91.945 kJ/mol # Calculated enthalpy of reaction UO2Br2:H2O + UO2Br2:H2O = H2O + UO2+2 + 2 Br- + log_k 12.1233 + -delta_H -91.945 kJ/mol # Calculated enthalpy of reaction UO2Br2:H2O # Enthalpy of formation: -1455.9 kJ/mol - -analytic -1.7519e+001 -1.6603e-002 4.3544e+003 8.0748e+000 7.3950e+001 + -analytic -1.7519e+1 -1.6603e-2 4.3544e+3 8.0748e+0 7.395e+1 # -Range: 0-200 UO2BrOH:2H2O - UO2BrOH:2H2O +1.0000 H+ = + 1.0000 Br- + 1.0000 UO2++ + 3.0000 H2O - log_k 4.2026 - -delta_H -39.8183 kJ/mol # Calculated enthalpy of reaction UO2BrOH:2H2O + UO2BrOH:2H2O + H+ = Br- + UO2+2 + 3 H2O + log_k 4.2026 + -delta_H -39.8183 kJ/mol # Calculated enthalpy of reaction UO2BrOH:2H2O # Enthalpy of formation: -1958.2 kJ/mol - -analytic -8.3411e+001 -1.0024e-002 5.0411e+003 2.9781e+001 8.5633e+001 + -analytic -8.3411e+1 -1.0024e-2 5.0411e+3 2.9781e+1 8.5633e+1 # -Range: 0-200 UO2CO3 - UO2CO3 +1.0000 H+ = + 1.0000 HCO3- + 1.0000 UO2++ - log_k -4.1267 - -delta_H -19.2872 kJ/mol # Calculated enthalpy of reaction UO2CO3 + UO2CO3 + H+ = HCO3- + UO2+2 + log_k -4.1267 + -delta_H -19.2872 kJ/mol # Calculated enthalpy of reaction UO2CO3 # Enthalpy of formation: -1689.65 kJ/mol - -analytic -4.4869e+001 -1.1541e-002 1.9475e+003 1.5215e+001 3.3086e+001 + -analytic -4.4869e+1 -1.1541e-2 1.9475e+3 1.5215e+1 3.3086e+1 # -Range: 0-200 UO2Cl - UO2Cl = + 1.0000 Cl- + 1.0000 UO2+ - log_k -0.5154 - -delta_H -21.1067 kJ/mol # Calculated enthalpy of reaction UO2Cl + UO2Cl = Cl- + UO2+ + log_k -0.5154 + -delta_H -21.1067 kJ/mol # Calculated enthalpy of reaction UO2Cl # Enthalpy of formation: -1171.1 kJ/mol - -analytic -7.3291e+001 -2.5940e-002 2.5753e+003 2.9038e+001 4.0207e+001 + -analytic -7.3291e+1 -2.594e-2 2.5753e+3 2.9038e+1 4.0207e+1 # -Range: 0-300 UO2Cl2 - UO2Cl2 = + 1.0000 UO2++ + 2.0000 Cl- - log_k 12.1394 - -delta_H -109.559 kJ/mol # Calculated enthalpy of reaction UO2Cl2 + UO2Cl2 = UO2+2 + 2 Cl- + log_k 12.1394 + -delta_H -109.559 kJ/mol # Calculated enthalpy of reaction UO2Cl2 # Enthalpy of formation: -1243.6 kJ/mol - -analytic -1.6569e+002 -6.6249e-002 8.6920e+003 6.8055e+001 1.3568e+002 + -analytic -1.6569e+2 -6.6249e-2 8.692e+3 6.8055e+1 1.3568e+2 # -Range: 0-300 UO2Cl2:3H2O - UO2Cl2:3H2O = + 1.0000 UO2++ + 2.0000 Cl- + 3.0000 H2O - log_k 5.6163 - -delta_H -45.8743 kJ/mol # Calculated enthalpy of reaction UO2Cl2:3H2O + UO2Cl2:3H2O = UO2+2 + 2 Cl- + 3 H2O + log_k 5.6163 + -delta_H -45.8743 kJ/mol # Calculated enthalpy of reaction UO2Cl2:3H2O # Enthalpy of formation: -2164.8 kJ/mol - -analytic -8.4932e+001 -2.0867e-002 4.7594e+003 3.2654e+001 8.0850e+001 + -analytic -8.4932e+1 -2.0867e-2 4.7594e+3 3.2654e+1 8.085e+1 # -Range: 0-200 UO2Cl2:H2O - UO2Cl2:H2O = + 1.0000 H2O + 1.0000 UO2++ + 2.0000 Cl- - log_k 8.2880 - -delta_H -79.1977 kJ/mol # Calculated enthalpy of reaction UO2Cl2:H2O + UO2Cl2:H2O = H2O + UO2+2 + 2 Cl- + log_k 8.288 + -delta_H -79.1977 kJ/mol # Calculated enthalpy of reaction UO2Cl2:H2O # Enthalpy of formation: -1559.8 kJ/mol - -analytic -3.4458e+001 -2.0630e-002 4.1231e+003 1.4170e+001 7.0029e+001 + -analytic -3.4458e+1 -2.063e-2 4.1231e+3 1.417e+1 7.0029e+1 # -Range: 0-200 UO2ClOH:2H2O - UO2ClOH:2H2O +1.0000 H+ = + 1.0000 Cl- + 1.0000 UO2++ + 3.0000 H2O - log_k 2.3064 - -delta_H -33.1947 kJ/mol # Calculated enthalpy of reaction UO2ClOH:2H2O + UO2ClOH:2H2O + H+ = Cl- + UO2+2 + 3 H2O + log_k 2.3064 + -delta_H -33.1947 kJ/mol # Calculated enthalpy of reaction UO2ClOH:2H2O # Enthalpy of formation: -2010.4 kJ/mol - -analytic -9.1834e+001 -1.2041e-002 4.9131e+003 3.2835e+001 8.3462e+001 + -analytic -9.1834e+1 -1.2041e-2 4.9131e+3 3.2835e+1 8.3462e+1 # -Range: 0-200 UO2F2 - UO2F2 = + 1.0000 UO2++ + 2.0000 F- - log_k -7.2302 - -delta_H -36.1952 kJ/mol # Calculated enthalpy of reaction UO2F2 + UO2F2 = UO2+2 + 2 F- + log_k -7.2302 + -delta_H -36.1952 kJ/mol # Calculated enthalpy of reaction UO2F2 # Enthalpy of formation: -1653.5 kJ/mol - -analytic -2.0303e+002 -7.1028e-002 5.9356e+003 7.9627e+001 9.2679e+001 + -analytic -2.0303e+2 -7.1028e-2 5.9356e+3 7.9627e+1 9.2679e+1 # -Range: 0-300 UO2F2:3H2O - UO2F2:3H2O = + 1.0000 UO2++ + 2.0000 F- + 3.0000 H2O - log_k -7.3692 - -delta_H -12.8202 kJ/mol # Calculated enthalpy of reaction UO2F2:3H2O + UO2F2:3H2O = UO2+2 + 2 F- + 3 H2O + log_k -7.3692 + -delta_H -12.8202 kJ/mol # Calculated enthalpy of reaction UO2F2:3H2O # Enthalpy of formation: -2534.39 kJ/mol - -analytic -1.0286e+002 -2.1223e-002 3.4855e+003 3.6420e+001 5.9224e+001 + -analytic -1.0286e+2 -2.1223e-2 3.4855e+3 3.642e+1 5.9224e+1 # -Range: 0-200 UO2FOH - UO2FOH +1.0000 H+ = + 1.0000 F- + 1.0000 H2O + 1.0000 UO2++ - log_k -1.8426 - -delta_H -41.7099 kJ/mol # Calculated enthalpy of reaction UO2FOH + UO2FOH + H+ = F- + H2O + UO2+2 + log_k -1.8426 + -delta_H -41.7099 kJ/mol # Calculated enthalpy of reaction UO2FOH # Enthalpy of formation: -1598.48 kJ/mol - -analytic -4.9229e+001 -1.1984e-002 3.2086e+003 1.6244e+001 5.4503e+001 + -analytic -4.9229e+1 -1.1984e-2 3.2086e+3 1.6244e+1 5.4503e+1 # -Range: 0-200 UO2FOH:2H2O - UO2FOH:2H2O +1.0000 H+ = + 1.0000 F- + 1.0000 UO2++ + 3.0000 H2O - log_k -2.6606 - -delta_H -21.8536 kJ/mol # Calculated enthalpy of reaction UO2FOH:2H2O + UO2FOH:2H2O + H+ = F- + UO2+2 + 3 H2O + log_k -2.6606 + -delta_H -21.8536 kJ/mol # Calculated enthalpy of reaction UO2FOH:2H2O # Enthalpy of formation: -2190.01 kJ/mol - -analytic -1.0011e+002 -1.2203e-002 4.5446e+003 3.4690e+001 7.7208e+001 + -analytic -1.0011e+2 -1.2203e-2 4.5446e+3 3.469e+1 7.7208e+1 # -Range: 0-200 UO2FOH:H2O - UO2FOH:H2O +1.0000 H+ = + 1.0000 F- + 1.0000 UO2++ + 2.0000 H2O - log_k -2.2838 - -delta_H -31.5243 kJ/mol # Calculated enthalpy of reaction UO2FOH:H2O + UO2FOH:H2O + H+ = F- + UO2+2 + 2 H2O + log_k -2.2838 + -delta_H -31.5243 kJ/mol # Calculated enthalpy of reaction UO2FOH:H2O # Enthalpy of formation: -1894.5 kJ/mol - -analytic -7.4628e+001 -1.2086e-002 3.8625e+003 2.5456e+001 6.5615e+001 + -analytic -7.4628e+1 -1.2086e-2 3.8625e+3 2.5456e+1 6.5615e+1 # -Range: 0-200 UO2HPO4 - UO2HPO4 = + 1.0000 HPO4-- + 1.0000 UO2++ - log_k -12.6782 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2HPO4 + UO2HPO4 = HPO4-2 + UO2+2 + log_k -12.6782 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2HPO4 # Enthalpy of formation: 0 kcal/mol UO2HPO4:4H2O - UO2HPO4:4H2O = + 1.0000 HPO4-- + 1.0000 UO2++ + 4.0000 H2O - log_k -13.0231 - -delta_H 15.5327 kJ/mol # Calculated enthalpy of reaction UO2HPO4:4H2O + UO2HPO4:4H2O = HPO4-2 + UO2+2 + 4 H2O + log_k -13.0231 + -delta_H 15.5327 kJ/mol # Calculated enthalpy of reaction UO2HPO4:4H2O # Enthalpy of formation: -3469.97 kJ/mol - -analytic -1.1784e+002 -1.9418e-002 2.7547e+003 4.0963e+001 4.6818e+001 + -analytic -1.1784e+2 -1.9418e-2 2.7547e+3 4.0963e+1 4.6818e+1 # -Range: 0-200 UO2SO3 - UO2SO3 = + 1.0000 SO3-- + 1.0000 UO2++ - log_k -15.9812 - -delta_H 6.4504 kJ/mol # Calculated enthalpy of reaction UO2SO3 + UO2SO3 = SO3-2 + UO2+2 + log_k -15.9812 + -delta_H 6.4504 kJ/mol # Calculated enthalpy of reaction UO2SO3 # Enthalpy of formation: -1661 kJ/mol - -analytic 2.5751e+001 -1.3871e-002 -3.0305e+003 -1.1090e+001 -5.1470e+001 + -analytic 2.5751e+1 -1.3871e-2 -3.0305e+3 -1.109e+1 -5.147e+1 # -Range: 0-200 UO2SO4 - UO2SO4 = + 1.0000 SO4-- + 1.0000 UO2++ - log_k 1.9681 - -delta_H -83.4616 kJ/mol # Calculated enthalpy of reaction UO2SO4 + UO2SO4 = SO4-2 + UO2+2 + log_k 1.9681 + -delta_H -83.4616 kJ/mol # Calculated enthalpy of reaction UO2SO4 # Enthalpy of formation: -1845.14 kJ/mol - -analytic -1.5677e+002 -6.5310e-002 6.7411e+003 6.2867e+001 1.0523e+002 + -analytic -1.5677e+2 -6.531e-2 6.7411e+3 6.2867e+1 1.0523e+2 # -Range: 0-300 UO2SO4:2.5H2O - UO2SO4:2.5H2O = + 1.0000 SO4-- + 1.0000 UO2++ + 2.5000 H2O - log_k -1.4912 - -delta_H -36.1984 kJ/mol # Calculated enthalpy of reaction UO2SO4:2.5H2O + UO2SO4:2.5H2O = SO4-2 + UO2+2 + 2.5 H2O + log_k -1.4912 + -delta_H -36.1984 kJ/mol # Calculated enthalpy of reaction UO2SO4:2.5H2O # Enthalpy of formation: -2607 kJ/mol - -analytic -4.8908e+001 -1.3445e-002 2.8658e+003 1.6894e+001 4.8683e+001 + -analytic -4.8908e+1 -1.3445e-2 2.8658e+3 1.6894e+1 4.8683e+1 # -Range: 0-200 UO2SO4:3.5H2O - UO2SO4:3.5H2O = + 1.0000 SO4-- + 1.0000 UO2++ + 3.5000 H2O - log_k -1.4805 - -delta_H -27.4367 kJ/mol # Calculated enthalpy of reaction UO2SO4:3.5H2O + UO2SO4:3.5H2O = SO4-2 + UO2+2 + 3.5 H2O + log_k -1.4805 + -delta_H -27.4367 kJ/mol # Calculated enthalpy of reaction UO2SO4:3.5H2O # Enthalpy of formation: -2901.6 kJ/mol - -analytic -7.4180e+001 -1.3565e-002 3.5963e+003 2.6136e+001 6.1096e+001 + -analytic -7.418e+1 -1.3565e-2 3.5963e+3 2.6136e+1 6.1096e+1 # -Range: 0-200 UO2SO4:3H2O - UO2SO4:3H2O = + 1.0000 SO4-- + 1.0000 UO2++ + 3.0000 H2O - log_k -1.4028 - -delta_H -34.6176 kJ/mol # Calculated enthalpy of reaction UO2SO4:3H2O + UO2SO4:3H2O = SO4-2 + UO2+2 + 3 H2O + log_k -1.4028 + -delta_H -34.6176 kJ/mol # Calculated enthalpy of reaction UO2SO4:3H2O # Enthalpy of formation: -2751.5 kJ/mol - -analytic -5.0134e+001 -1.0321e-002 3.0505e+003 1.6799e+001 5.1818e+001 + -analytic -5.0134e+1 -1.0321e-2 3.0505e+3 1.6799e+1 5.1818e+1 # -Range: 0-200 UO2SO4:H2O - UO2SO4:H2O = + 1.0000 H2O + 1.0000 SO4-- + 1.0000 UO2++ - log_k -6.0233 - -delta_H -39.1783 kJ/mol # Calculated enthalpy of reaction UO2SO4:H2O + UO2SO4:H2O = H2O + SO4-2 + UO2+2 + log_k -6.0233 + -delta_H -39.1783 kJ/mol # Calculated enthalpy of reaction UO2SO4:H2O # Enthalpy of formation: -519.9 kcal/mol - -analytic -1.8879e+002 -6.9827e-002 5.5636e+003 7.4717e+001 8.6870e+001 + -analytic -1.8879e+2 -6.9827e-2 5.5636e+3 7.4717e+1 8.687e+1 # -Range: 0-300 UO3(alpha) - UO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 UO2++ - log_k 8.6391 - -delta_H -87.3383 kJ/mol # Calculated enthalpy of reaction UO3(alpha) + UO3 + 2 H+ = H2O + UO2+2 + log_k 8.6391 + -delta_H -87.3383 kJ/mol # Calculated enthalpy of reaction UO3(alpha) # Enthalpy of formation: -1217.5 kJ/mol - -analytic -1.4099e+001 -1.9063e-003 4.7742e+003 2.9478e+000 7.4501e+001 + -analytic -1.4099e+1 -1.9063e-3 4.7742e+3 2.9478e+0 7.4501e+1 # -Range: 0-300 UO3(beta) - UO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 UO2++ - log_k 8.3095 - -delta_H -84.5383 kJ/mol # Calculated enthalpy of reaction UO3(beta) + UO3 + 2 H+ = H2O + UO2+2 + log_k 8.3095 + -delta_H -84.5383 kJ/mol # Calculated enthalpy of reaction UO3(beta) # Enthalpy of formation: -1220.3 kJ/mol - -analytic -1.2298e+001 -1.7800e-003 4.5621e+003 2.3593e+000 7.1191e+001 + -analytic -1.2298e+1 -1.78e-3 4.5621e+3 2.3593e+0 7.1191e+1 # -Range: 0-300 UO3(gamma) - UO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 UO2++ - log_k 7.7073 - -delta_H -81.0383 kJ/mol # Calculated enthalpy of reaction UO3(gamma) + UO3 + 2 H+ = H2O + UO2+2 + log_k 7.7073 + -delta_H -81.0383 kJ/mol # Calculated enthalpy of reaction UO3(gamma) # Enthalpy of formation: -1223.8 kJ/mol - -analytic -1.1573e+001 -2.3560e-003 4.3124e+003 2.2305e+000 6.7294e+001 + -analytic -1.1573e+1 -2.356e-3 4.3124e+3 2.2305e+0 6.7294e+1 # -Range: 0-300 UO3:.9H2O(alpha) - UO3:.9H2O +2.0000 H+ = + 1.0000 UO2++ + 1.9000 H2O - log_k 5.0167 - -delta_H -55.7928 kJ/mol # Calculated enthalpy of reaction UO3:.9H2O(alpha) + UO3:.9H2O + 2 H+ = UO2+2 + 1.9 H2O + log_k 5.0167 + -delta_H -55.7928 kJ/mol # Calculated enthalpy of reaction UO3:.9H2O(alpha) # Enthalpy of formation: -1506.3 kJ/mol - -analytic -6.9286e+001 -3.0624e-003 5.5984e+003 2.2809e+001 9.5092e+001 + -analytic -6.9286e+1 -3.0624e-3 5.5984e+3 2.2809e+1 9.5092e+1 # -Range: 0-200 UO3:2H2O - UO3:2H2O +2.0000 H+ = + 1.0000 UO2++ + 3.0000 H2O - log_k 4.8333 - -delta_H -50.415 kJ/mol # Calculated enthalpy of reaction UO3:2H2O + UO3:2H2O + 2 H+ = UO2+2 + 3 H2O + log_k 4.8333 + -delta_H -50.415 kJ/mol # Calculated enthalpy of reaction UO3:2H2O # Enthalpy of formation: -1826.1 kJ/mol - -analytic -5.9530e+001 -9.8107e-003 4.4975e+003 2.1098e+001 7.0196e+001 + -analytic -5.953e+1 -9.8107e-3 4.4975e+3 2.1098e+1 7.0196e+1 # -Range: 0-300 UOBr2 - UOBr2 +2.0000 H+ = + 1.0000 H2O + 1.0000 U++++ + 2.0000 Br- - log_k 7.9722 - -delta_H -146.445 kJ/mol # Calculated enthalpy of reaction UOBr2 + UOBr2 + 2 H+ = H2O + U+4 + 2 Br- + log_k 7.9722 + -delta_H -146.445 kJ/mol # Calculated enthalpy of reaction UOBr2 # Enthalpy of formation: -973.6 kJ/mol - -analytic -2.0747e+002 -7.0500e-002 1.1746e+004 7.9629e+001 1.8334e+002 + -analytic -2.0747e+2 -7.05e-2 1.1746e+4 7.9629e+1 1.8334e+2 # -Range: 0-300 UOBr3 - UOBr3 +1.0000 H2O = + 1.0000 UO2+ + 2.0000 H+ + 3.0000 Br- - log_k 23.5651 - -delta_H -149.799 kJ/mol # Calculated enthalpy of reaction UOBr3 + UOBr3 + H2O = UO2+ + 2 H+ + 3 Br- + log_k 23.5651 + -delta_H -149.799 kJ/mol # Calculated enthalpy of reaction UOBr3 # Enthalpy of formation: -954 kJ/mol - -analytic -2.0001e+002 -8.4632e-002 1.1381e+004 8.5102e+001 1.7765e+002 + -analytic -2.0001e+2 -8.4632e-2 1.1381e+4 8.5102e+1 1.7765e+2 # -Range: 0-300 UOCl - UOCl +2.0000 H+ = + 1.0000 Cl- + 1.0000 H2O + 1.0000 U+++ - log_k 10.3872 - -delta_H -108.118 kJ/mol # Calculated enthalpy of reaction UOCl + UOCl + 2 H+ = Cl- + H2O + U+3 + log_k 10.3872 + -delta_H -108.118 kJ/mol # Calculated enthalpy of reaction UOCl # Enthalpy of formation: -833.9 kJ/mol - -analytic -1.1989e+002 -4.0791e-002 8.0834e+003 4.6600e+001 1.2617e+002 + -analytic -1.1989e+2 -4.0791e-2 8.0834e+3 4.66e+1 1.2617e+2 # -Range: 0-300 UOCl2 - UOCl2 +2.0000 H+ = + 1.0000 H2O + 1.0000 U++++ + 2.0000 Cl- - log_k 5.4559 - -delta_H -141.898 kJ/mol # Calculated enthalpy of reaction UOCl2 + UOCl2 + 2 H+ = H2O + U+4 + 2 Cl- + log_k 5.4559 + -delta_H -141.898 kJ/mol # Calculated enthalpy of reaction UOCl2 # Enthalpy of formation: -1069.3 kJ/mol - -analytic -2.2096e+002 -7.3329e-002 1.1858e+004 8.4250e+001 1.8509e+002 + -analytic -2.2096e+2 -7.3329e-2 1.1858e+4 8.425e+1 1.8509e+2 # -Range: 0-300 UOCl3 - UOCl3 +1.0000 H2O = + 1.0000 UO2+ + 2.0000 H+ + 3.0000 Cl- - log_k 12.6370 - -delta_H -100.528 kJ/mol # Calculated enthalpy of reaction UOCl3 + UOCl3 + H2O = UO2+ + 2 H+ + 3 Cl- + log_k 12.637 + -delta_H -100.528 kJ/mol # Calculated enthalpy of reaction UOCl3 # Enthalpy of formation: -1140 kJ/mol - -analytic -2.1934e+002 -8.8639e-002 9.3198e+003 9.1775e+001 1.4549e+002 + -analytic -2.1934e+2 -8.8639e-2 9.3198e+3 9.1775e+1 1.4549e+2 # -Range: 0-300 UOF2 - UOF2 +2.0000 H+ = + 1.0000 H2O + 1.0000 U++++ + 2.0000 F- - log_k -18.1473 - -delta_H -43.1335 kJ/mol # Calculated enthalpy of reaction UOF2 + UOF2 + 2 H+ = H2O + U+4 + 2 F- + log_k -18.1473 + -delta_H -43.1335 kJ/mol # Calculated enthalpy of reaction UOF2 # Enthalpy of formation: -1504.6 kJ/mol - -analytic -6.9471e+001 -2.6188e-002 2.5576e+003 2.0428e+001 4.3454e+001 + -analytic -6.9471e+1 -2.6188e-2 2.5576e+3 2.0428e+1 4.3454e+1 # -Range: 0-200 UOF2:H2O - UOF2:H2O +2.0000 H+ = + 1.0000 U++++ + 2.0000 F- + 2.0000 H2O - log_k -18.7019 - -delta_H -31.5719 kJ/mol # Calculated enthalpy of reaction UOF2:H2O + UOF2:H2O + 2 H+ = U+4 + 2 F- + 2 H2O + log_k -18.7019 + -delta_H -31.5719 kJ/mol # Calculated enthalpy of reaction UOF2:H2O # Enthalpy of formation: -1802 kJ/mol - -analytic -9.5010e+001 -2.6355e-002 3.1474e+003 2.9746e+001 5.3480e+001 + -analytic -9.501e+1 -2.6355e-2 3.1474e+3 2.9746e+1 5.348e+1 # -Range: 0-200 UOF4 - UOF4 +1.0000 H2O = + 1.0000 UO2++ + 2.0000 H+ + 4.0000 F- - log_k 4.5737 - -delta_H -149.952 kJ/mol # Calculated enthalpy of reaction UOF4 + UOF4 + H2O = UO2+2 + 2 H+ + 4 F- + log_k 4.5737 + -delta_H -149.952 kJ/mol # Calculated enthalpy of reaction UOF4 # Enthalpy of formation: -1924.6 kJ/mol - -analytic -5.9731e+000 -3.8581e-002 4.6903e+003 2.5464e+000 7.9649e+001 + -analytic -5.9731e+0 -3.8581e-2 4.6903e+3 2.5464e+0 7.9649e+1 # -Range: 0-200 UOFOH - UOFOH +3.0000 H+ = + 1.0000 F- + 1.0000 U++++ + 2.0000 H2O - log_k -8.9274 - -delta_H -71.5243 kJ/mol # Calculated enthalpy of reaction UOFOH + UOFOH + 3 H+ = F- + U+4 + 2 H2O + log_k -8.9274 + -delta_H -71.5243 kJ/mol # Calculated enthalpy of reaction UOFOH # Enthalpy of formation: -1426.7 kJ/mol - -analytic -9.2412e+001 -1.7293e-002 5.8150e+003 2.7940e+001 9.8779e+001 + -analytic -9.2412e+1 -1.7293e-2 5.815e+3 2.794e+1 9.8779e+1 # -Range: 0-200 UOFOH:.5H2O - UOFOH:.5H2O +1.0000 H+ +0.5000 O2 = + 1.0000 F- + 1.0000 UO2++ + 1.5000 H2O - log_k 24.5669 - -delta_H -200.938 kJ/mol # Calculated enthalpy of reaction UOFOH:.5H2O + UOFOH:.5H2O + H+ + 0.5 O2 = F- + UO2+2 + 1.5 H2O + log_k 24.5669 + -delta_H -200.938 kJ/mol # Calculated enthalpy of reaction UOFOH:.5H2O # Enthalpy of formation: -1576.1 kJ/mol - -analytic -1.1024e+001 -7.7180e-003 1.0019e+004 1.7305e+000 1.7014e+002 + -analytic -1.1024e+1 -7.718e-3 1.0019e+4 1.7305e+0 1.7014e+2 # -Range: 0-200 UP - UP +2.0000 O2 +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 U+++ - log_k 233.4928 - -delta_H -1487.11 kJ/mol # Calculated enthalpy of reaction UP + UP + 2 O2 + H+ = HPO4-2 + U+3 + log_k 233.4928 + -delta_H -1487.11 kJ/mol # Calculated enthalpy of reaction UP # Enthalpy of formation: -269.8 kJ/mol - -analytic -2.1649e+002 -9.0873e-002 8.3804e+004 8.1649e+001 -5.4044e+005 + -analytic -2.1649e+2 -9.0873e-2 8.3804e+4 8.1649e+1 -5.4044e+5 # -Range: 0-300 UP2 - UP2 +3.2500 O2 +1.5000 H2O = + 1.0000 H+ + 1.0000 U+++ + 2.0000 HPO4-- - log_k 360.5796 - -delta_H -2301.07 kJ/mol # Calculated enthalpy of reaction UP2 + UP2 + 3.25 O2 + 1.5 H2O = H+ + U+3 + 2 HPO4-2 + log_k 360.5796 + -delta_H -2301.07 kJ/mol # Calculated enthalpy of reaction UP2 # Enthalpy of formation: -304 kJ/mol - -analytic -2.4721e+002 -1.5005e-001 1.2243e+005 9.9521e+001 -3.9706e+005 + -analytic -2.4721e+2 -1.5005e-1 1.2243e+5 9.9521e+1 -3.9706e+5 # -Range: 0-300 UP2O7 - UP2O7 +1.0000 H2O = + 1.0000 U++++ + 2.0000 HPO4-- - log_k -32.9922 - -delta_H -37.5256 kJ/mol # Calculated enthalpy of reaction UP2O7 + UP2O7 + H2O = U+4 + 2 HPO4-2 + log_k -32.9922 + -delta_H -37.5256 kJ/mol # Calculated enthalpy of reaction UP2O7 # Enthalpy of formation: -2852 kJ/mol - -analytic -3.5910e+002 -1.3819e-001 7.6509e+003 1.3804e+002 1.1949e+002 + -analytic -3.591e+2 -1.3819e-1 7.6509e+3 1.3804e+2 1.1949e+2 # -Range: 0-300 UP2O7:20H2O - UP2O7:20H2O = + 1.0000 U++++ + 2.0000 HPO4-- + 19.0000 H2O - log_k -28.6300 - -delta_H 0 # Not possible to calculate enthalpy of reaction UP2O7:20H2O + UP2O7:20H2O = U+4 + 2 HPO4-2 + 19 H2O + log_k -28.63 + -delta_H 0 # Not possible to calculate enthalpy of reaction UP2O7:20H2O # Enthalpy of formation: 0 kcal/mol UPO5 - UPO5 +1.0000 H2O = + 1.0000 H+ + 1.0000 HPO4-- + 1.0000 UO2+ - log_k -19.5754 - -delta_H 32.6294 kJ/mol # Calculated enthalpy of reaction UPO5 + UPO5 + H2O = H+ + HPO4-2 + UO2+ + log_k -19.5754 + -delta_H 32.6294 kJ/mol # Calculated enthalpy of reaction UPO5 # Enthalpy of formation: -2064 kJ/mol - -analytic -1.5316e+002 -6.0911e-002 7.3255e+002 6.0317e+001 1.1476e+001 + -analytic -1.5316e+2 -6.0911e-2 7.3255e+2 6.0317e+1 1.1476e+1 # -Range: 0-300 US - US +2.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 HS- + 1.0000 U+++ - log_k 46.6547 - -delta_H -322.894 kJ/mol # Calculated enthalpy of reaction US + US + 2 H+ + 0.25 O2 = 0.5 H2O + HS- + U+3 + log_k 46.6547 + -delta_H -322.894 kJ/mol # Calculated enthalpy of reaction US # Enthalpy of formation: -322.2 kJ/mol - -analytic -1.0845e+002 -4.0538e-002 1.8749e+004 4.2147e+001 2.9259e+002 + -analytic -1.0845e+2 -4.0538e-2 1.8749e+4 4.2147e+1 2.9259e+2 # -Range: 0-300 US1.9 - US1.9 +1.9000 H+ = + 0.2000 U+++ + 0.8000 U++++ + 1.9000 HS- - log_k -2.2816 - -delta_H -91.486 kJ/mol # Calculated enthalpy of reaction US1.9 + US1.9 + 1.9 H+ = 0.2 U+3 + 0.8 U+4 + 1.9 HS- + log_k -2.2816 + -delta_H -91.486 kJ/mol # Calculated enthalpy of reaction US1.9 # Enthalpy of formation: -509.9 kJ/mol - -analytic -2.0534e+002 -6.8390e-002 8.8888e+003 7.8243e+001 1.3876e+002 + -analytic -2.0534e+2 -6.839e-2 8.8888e+3 7.8243e+1 1.3876e+2 # -Range: 0-300 US2 - US2 +2.0000 H+ = + 1.0000 U++++ + 2.0000 HS- - log_k -2.3324 - -delta_H -103.017 kJ/mol # Calculated enthalpy of reaction US2 + US2 + 2 H+ = U+4 + 2 HS- + log_k -2.3324 + -delta_H -103.017 kJ/mol # Calculated enthalpy of reaction US2 # Enthalpy of formation: -520.4 kJ/mol - -analytic -2.1819e+002 -7.1522e-002 9.7782e+003 8.2586e+001 1.5264e+002 + -analytic -2.1819e+2 -7.1522e-2 9.7782e+3 8.2586e+1 1.5264e+2 # -Range: 0-300 US3 - US3 +2.0000 H2O = + 1.0000 H+ + 1.0000 UO2++ + 3.0000 HS- - log_k -16.6370 - -delta_H 43.9515 kJ/mol # Calculated enthalpy of reaction US3 + US3 + 2 H2O = H+ + UO2+2 + 3 HS- + log_k -16.637 + -delta_H 43.9515 kJ/mol # Calculated enthalpy of reaction US3 # Enthalpy of formation: -539.6 kJ/mol - -analytic -2.3635e+002 -9.5877e-002 1.9170e+003 9.7726e+001 2.9982e+001 + -analytic -2.3635e+2 -9.5877e-2 1.917e+3 9.7726e+1 2.9982e+1 # -Range: 0-300 USb - USb +3.0000 H+ +1.5000 O2 = + 1.0000 Sb(OH)3 + 1.0000 U+++ - log_k 176.0723 - -delta_H -1106.19 kJ/mol # Calculated enthalpy of reaction USb + USb + 3 H+ + 1.5 O2 = Sb(OH)3 + U+3 + log_k 176.0723 + -delta_H -1106.19 kJ/mol # Calculated enthalpy of reaction USb # Enthalpy of formation: -138.5 kJ/mol USb2 - USb2 +3.0000 H+ +2.2500 O2 +1.5000 H2O = + 1.0000 U+++ + 2.0000 Sb(OH)3 - log_k 223.1358 - -delta_H -1407.02 kJ/mol # Calculated enthalpy of reaction USb2 + USb2 + 3 H+ + 2.25 O2 + 1.5 H2O = U+3 + 2 Sb(OH)3 + log_k 223.1358 + -delta_H -1407.02 kJ/mol # Calculated enthalpy of reaction USb2 # Enthalpy of formation: -173.6 kJ/mol Uranium-selenide - 1.0USe +1.7500 O2 +1.0000 H+ = + 0.5000 H2O + 1.0000 SeO3-- + 1.0000 U+++ - log_k 125.6086 - -delta_H -844.278 kJ/mol # Calculated enthalpy of reaction Uranium-selenide + 1 USe + 1.75 O2 + H+ = 0.5 H2O + SeO3-2 + U+3 + log_k 125.6086 + -delta_H -844.278 kJ/mol # Calculated enthalpy of reaction Uranium-selenide # Enthalpy of formation: -275.7 kJ/mol - -analytic -1.0853e+002 -7.6251e-002 4.3230e+004 4.5189e+001 6.7460e+002 + -analytic -1.0853e+2 -7.6251e-2 4.323e+4 4.5189e+1 6.746e+2 # -Range: 0-300 USe2(alpha) - USe2 +2.7500 O2 +0.5000 H2O = + 1.0000 H+ + 1.0000 U+++ + 2.0000 SeO3-- - log_k 125.4445 - -delta_H -904.199 kJ/mol # Calculated enthalpy of reaction USe2(alpha) + USe2 + 2.75 O2 + 0.5 H2O = H+ + U+3 + 2 SeO3-2 + log_k 125.4445 + -delta_H -904.199 kJ/mol # Calculated enthalpy of reaction USe2(alpha) # Enthalpy of formation: -427 kJ/mol - -analytic -2.0454e+002 -1.4191e-001 4.6114e+004 8.7906e+001 7.1963e+002 + -analytic -2.0454e+2 -1.4191e-1 4.6114e+4 8.7906e+1 7.1963e+2 # -Range: 0-300 USe2(beta) - USe2 +2.7500 O2 +0.5000 H2O = + 1.0000 H+ + 1.0000 U+++ + 2.0000 SeO3-- - log_k 125.2868 - -delta_H -904.199 kJ/mol # Calculated enthalpy of reaction USe2(beta) + USe2 + 2.75 O2 + 0.5 H2O = H+ + U+3 + 2 SeO3-2 + log_k 125.2868 + -delta_H -904.199 kJ/mol # Calculated enthalpy of reaction USe2(beta) # Enthalpy of formation: -427 kJ/mol - -analytic -2.0334e+002 -1.4147e-001 4.6082e+004 8.7349e+001 7.1913e+002 + -analytic -2.0334e+2 -1.4147e-1 4.6082e+4 8.7349e+1 7.1913e+2 # -Range: 0-300 USe3 - USe3 +3.7500 O2 +1.5000 H2O = + 1.0000 U+++ + 3.0000 H+ + 3.0000 SeO3-- - log_k 147.2214 - -delta_H -1090.42 kJ/mol # Calculated enthalpy of reaction USe3 + USe3 + 3.75 O2 + 1.5 H2O = U+3 + 3 H+ + 3 SeO3-2 + log_k 147.2214 + -delta_H -1090.42 kJ/mol # Calculated enthalpy of reaction USe3 # Enthalpy of formation: -452 kJ/mol - -analytic 4.9201e+002 -1.3720e-002 3.2168e+004 -1.8131e+002 5.4609e+002 + -analytic 4.9201e+2 -1.372e-2 3.2168e+4 -1.8131e+2 5.4609e+2 # -Range: 0-200 Umangite - Cu3Se2 = + 1.0000 Cu++ + 2.0000 Cu+ + 2.0000 Se-- - log_k -93.8412 - -delta_H 0 # Not possible to calculate enthalpy of reaction Umangite + Cu3Se2 = Cu+2 + 2 Cu+ + 2 Se-2 + log_k -93.8412 + -delta_H 0 # Not possible to calculate enthalpy of reaction Umangite # Enthalpy of formation: -25 kcal/mol - -analytic -7.2308e+001 -2.2566e-003 -2.0738e+004 1.9677e+001 -3.5214e+002 + -analytic -7.2308e+1 -2.2566e-3 -2.0738e+4 1.9677e+1 -3.5214e+2 # -Range: 0-200 Uraninite - UO2 +4.0000 H+ = + 1.0000 U++++ + 2.0000 H2O - log_k -4.8372 - -delta_H -77.8767 kJ/mol # Calculated enthalpy of reaction Uraninite + UO2 + 4 H+ = U+4 + 2 H2O + log_k -4.8372 + -delta_H -77.8767 kJ/mol # Calculated enthalpy of reaction Uraninite # Enthalpy of formation: -1085 kJ/mol - -analytic -7.5776e+001 -1.0558e-002 5.9677e+003 2.1853e+001 9.3142e+001 + -analytic -7.5776e+1 -1.0558e-2 5.9677e+3 2.1853e+1 9.3142e+1 # -Range: 0-300 Uranocircite - Ba(UO2)2(PO4)2 +2.0000 H+ = + 1.0000 Ba++ + 2.0000 HPO4-- + 2.0000 UO2++ - log_k -19.8057 - -delta_H -72.3317 kJ/mol # Calculated enthalpy of reaction Uranocircite + Ba(UO2)2(PO4)2 + 2 H+ = Ba+2 + 2 HPO4-2 + 2 UO2+2 + log_k -19.8057 + -delta_H -72.3317 kJ/mol # Calculated enthalpy of reaction Uranocircite # Enthalpy of formation: -1215.94 kcal/mol - -analytic -3.6843e+001 -4.3076e-002 1.2427e+003 1.0384e+001 2.1115e+001 + -analytic -3.6843e+1 -4.3076e-2 1.2427e+3 1.0384e+1 2.1115e+1 # -Range: 0-200 Uranophane - Ca(UO2)2(SiO3)2(OH)2 +6.0000 H+ = + 1.0000 Ca++ + 2.0000 SiO2 + 2.0000 UO2++ + 4.0000 H2O - log_k 17.2850 - -delta_H 0 # Not possible to calculate enthalpy of reaction Uranophane + Ca(UO2)2(SiO3)2(OH)2 + 6 H+ = Ca+2 + 2 SiO2 + 2 UO2+2 + 4 H2O + log_k 17.285 + -delta_H 0 # Not possible to calculate enthalpy of reaction Uranophane # Enthalpy of formation: 0 kcal/mol V - V +3.0000 H+ +0.7500 O2 = + 1.0000 V+++ + 1.5000 H2O - log_k 106.9435 - -delta_H -680.697 kJ/mol # Calculated enthalpy of reaction V + V + 3 H+ + 0.75 O2 = V+3 + 1.5 H2O + log_k 106.9435 + -delta_H -680.697 kJ/mol # Calculated enthalpy of reaction V # Enthalpy of formation: 0 kJ/mol - -analytic -1.0508e+002 -2.1334e-002 4.0364e+004 3.5012e+001 -3.2290e+005 + -analytic -1.0508e+2 -2.1334e-2 4.0364e+4 3.5012e+1 -3.229e+5 # -Range: 0-300 V2O4 - V2O4 +4.0000 H+ = + 2.0000 H2O + 2.0000 VO++ - log_k 8.5719 - -delta_H -117.564 kJ/mol # Calculated enthalpy of reaction V2O4 + V2O4 + 4 H+ = 2 H2O + 2 VO+2 + log_k 8.5719 + -delta_H -117.564 kJ/mol # Calculated enthalpy of reaction V2O4 # Enthalpy of formation: -1427.31 kJ/mol - -analytic -1.4429e+002 -3.7423e-002 9.7046e+003 5.3125e+001 1.5147e+002 + -analytic -1.4429e+2 -3.7423e-2 9.7046e+3 5.3125e+1 1.5147e+2 # -Range: 0-300 V3O5 - V3O5 +8.0000 H+ = + 1.0000 VO++ + 2.0000 V+++ + 4.0000 H2O - log_k 13.4312 - -delta_H -218.857 kJ/mol # Calculated enthalpy of reaction V3O5 + V3O5 + 8 H+ = VO+2 + 2 V+3 + 4 H2O + log_k 13.4312 + -delta_H -218.857 kJ/mol # Calculated enthalpy of reaction V3O5 # Enthalpy of formation: -1933.17 kJ/mol - -analytic -1.7652e+002 -2.1959e-002 1.6814e+004 5.6618e+001 2.8559e+002 + -analytic -1.7652e+2 -2.1959e-2 1.6814e+4 5.6618e+1 2.8559e+2 # -Range: 0-200 V4O7 - V4O7 +10.0000 H+ = + 2.0000 V+++ + 2.0000 VO++ + 5.0000 H2O - log_k 18.7946 - -delta_H -284.907 kJ/mol # Calculated enthalpy of reaction V4O7 + V4O7 + 10 H+ = 2 V+3 + 2 VO+2 + 5 H2O + log_k 18.7946 + -delta_H -284.907 kJ/mol # Calculated enthalpy of reaction V4O7 # Enthalpy of formation: -2639.56 kJ/mol - -analytic -2.2602e+002 -3.0261e-002 2.1667e+004 7.3214e+001 3.6800e+002 + -analytic -2.2602e+2 -3.0261e-2 2.1667e+4 7.3214e+1 3.68e+2 # -Range: 0-200 Vaesite - NiS2 +1.0000 H2O = + 0.2500 H+ + 0.2500 SO4-- + 1.0000 Ni++ + 1.7500 HS- - log_k -26.7622 - -delta_H 110.443 kJ/mol # Calculated enthalpy of reaction Vaesite + NiS2 + H2O = 0.25 H+ + 0.25 SO4-2 + Ni+2 + 1.75 HS- + log_k -26.7622 + -delta_H 110.443 kJ/mol # Calculated enthalpy of reaction Vaesite # Enthalpy of formation: -32.067 kcal/mol - -analytic 1.6172e+001 -2.2673e-002 -8.2514e+003 -3.4392e+000 -1.4013e+002 + -analytic 1.6172e+1 -2.2673e-2 -8.2514e+3 -3.4392e+0 -1.4013e+2 # -Range: 0-200 Vivianite - Fe3(PO4)2:8H2O +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Fe++ + 8.0000 H2O - log_k -4.7237 - -delta_H 0 # Not possible to calculate enthalpy of reaction Vivianite + Fe3(PO4)2:8H2O + 2 H+ = 2 HPO4-2 + 3 Fe+2 + 8 H2O + log_k -4.7237 + -delta_H 0 # Not possible to calculate enthalpy of reaction Vivianite # Enthalpy of formation: 0 kcal/mol W - W +1.5000 O2 +1.0000 H2O = + 1.0000 WO4-- + 2.0000 H+ - log_k 123.4334 - -delta_H -771.668 kJ/mol # Calculated enthalpy of reaction W + W + 1.5 O2 + H2O = WO4-2 + 2 H+ + log_k 123.4334 + -delta_H -771.668 kJ/mol # Calculated enthalpy of reaction W # Enthalpy of formation: 0 kJ/mol - -analytic -1.0433e+002 -6.9470e-002 4.0134e+004 4.5993e+001 6.2629e+002 + -analytic -1.0433e+2 -6.947e-2 4.0134e+4 4.5993e+1 6.2629e+2 # -Range: 0-300 Wairakite - CaAl2Si4O10(OH)4 +8.0000 H+ = + 1.0000 Ca++ + 2.0000 Al+++ + 4.0000 SiO2 + 6.0000 H2O - log_k 18.0762 - -delta_H -237.781 kJ/mol # Calculated enthalpy of reaction Wairakite + CaAl2Si4O10(OH)4 + 8 H+ = Ca+2 + 2 Al+3 + 4 SiO2 + 6 H2O + log_k 18.0762 + -delta_H -237.781 kJ/mol # Calculated enthalpy of reaction Wairakite # Enthalpy of formation: -1579.33 kcal/mol - -analytic -1.7914e+001 3.2944e-003 2.2782e+004 -9.0981e+000 -1.6934e+006 + -analytic -1.7914e+1 3.2944e-3 2.2782e+4 -9.0981e+0 -1.6934e+6 # -Range: 0-300 Weeksite - K2(UO2)2(Si2O5)3:4H2O +6.0000 H+ = + 2.0000 K+ + 2.0000 UO2++ + 6.0000 SiO2 + 7.0000 H2O - log_k 15.3750 - -delta_H 0 # Not possible to calculate enthalpy of reaction Weeksite + K2(UO2)2(Si2O5)3:4H2O + 6 H+ = 2 K+ + 2 UO2+2 + 6 SiO2 + 7 H2O + log_k 15.375 + -delta_H 0 # Not possible to calculate enthalpy of reaction Weeksite # Enthalpy of formation: 0 kcal/mol Whitlockite - Ca3(PO4)2 +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Ca++ - log_k -4.2249 - -delta_H -116.645 kJ/mol # Calculated enthalpy of reaction Whitlockite + Ca3(PO4)2 + 2 H+ = 2 HPO4-2 + 3 Ca+2 + log_k -4.2249 + -delta_H -116.645 kJ/mol # Calculated enthalpy of reaction Whitlockite # Enthalpy of formation: -4096.77 kJ/mol - -analytic -5.3543e+002 -1.8842e-001 1.7176e+004 2.1406e+002 2.6817e+002 + -analytic -5.3543e+2 -1.8842e-1 1.7176e+4 2.1406e+2 2.6817e+2 # -Range: 0-300 Wilkmanite - Ni3Se4 +1.0000 H2O = + 0.5000 O2 + 2.0000 H+ + 3.0000 Ni++ + 4.0000 Se-- - log_k -152.8793 - -delta_H 0 # Not possible to calculate enthalpy of reaction Wilkmanite + Ni3Se4 + H2O = 0.5 O2 + 2 H+ + 3 Ni+2 + 4 Se-2 + log_k -152.8793 + -delta_H 0 # Not possible to calculate enthalpy of reaction Wilkmanite # Enthalpy of formation: -60.285 kcal/mol - -analytic -1.9769e+002 -4.9968e-002 -2.8208e+004 6.2863e+001 -1.1322e+005 + -analytic -1.9769e+2 -4.9968e-2 -2.8208e+4 6.2863e+1 -1.1322e+5 # -Range: 0-300 Witherite - BaCO3 +1.0000 H+ = + 1.0000 Ba++ + 1.0000 HCO3- - log_k -2.9965 - -delta_H 17.1628 kJ/mol # Calculated enthalpy of reaction Witherite + BaCO3 + H+ = Ba+2 + HCO3- + log_k -2.9965 + -delta_H 17.1628 kJ/mol # Calculated enthalpy of reaction Witherite # Enthalpy of formation: -297.5 kcal/mol - -analytic -1.2585e+002 -4.4315e-002 2.0227e+003 5.2239e+001 3.1600e+001 + -analytic -1.2585e+2 -4.4315e-2 2.0227e+3 5.2239e+1 3.16e+1 # -Range: 0-300 Wollastonite - CaSiO3 +2.0000 H+ = + 1.0000 Ca++ + 1.0000 H2O + 1.0000 SiO2 - log_k 13.7605 - -delta_H -76.5756 kJ/mol # Calculated enthalpy of reaction Wollastonite + CaSiO3 + 2 H+ = Ca+2 + H2O + SiO2 + log_k 13.7605 + -delta_H -76.5756 kJ/mol # Calculated enthalpy of reaction Wollastonite # Enthalpy of formation: -389.59 kcal/mol - -analytic 3.0931e+001 6.7466e-003 5.1749e+003 -1.3209e+001 -3.4579e+005 + -analytic 3.0931e+1 6.7466e-3 5.1749e+3 -1.3209e+1 -3.4579e+5 # -Range: 0-300 Wurtzite - ZnS +1.0000 H+ = + 1.0000 HS- + 1.0000 Zn++ - log_k -9.1406 - -delta_H 22.3426 kJ/mol # Calculated enthalpy of reaction Wurtzite + ZnS + H+ = HS- + Zn+2 + log_k -9.1406 + -delta_H 22.3426 kJ/mol # Calculated enthalpy of reaction Wurtzite # Enthalpy of formation: -45.85 kcal/mol - -analytic -1.5446e+002 -4.8874e-002 2.4551e+003 6.1278e+001 3.8355e+001 + -analytic -1.5446e+2 -4.8874e-2 2.4551e+3 6.1278e+1 3.8355e+1 # -Range: 0-300 Wustite - Fe.947O +2.0000 H+ = + 0.1060 Fe+++ + 0.8410 Fe++ + 1.0000 H2O - log_k 12.4113 - -delta_H -102.417 kJ/mol # Calculated enthalpy of reaction Wustite + Fe.947O + 2 H+ = 0.106 Fe+3 + 0.841 Fe+2 + H2O + log_k 12.4113 + -delta_H -102.417 kJ/mol # Calculated enthalpy of reaction Wustite # Enthalpy of formation: -266.265 kJ/mol - -analytic -7.6919e+001 -1.8433e-002 7.3823e+003 2.8312e+001 1.1522e+002 + -analytic -7.6919e+1 -1.8433e-2 7.3823e+3 2.8312e+1 1.1522e+2 # -Range: 0-300 Xonotlite - Ca6Si6O17(OH)2 +12.0000 H+ = + 6.0000 Ca++ + 6.0000 SiO2 + 7.0000 H2O - log_k 91.8267 - -delta_H -495.457 kJ/mol # Calculated enthalpy of reaction Xonotlite + Ca6Si6O17(OH)2 + 12 H+ = 6 Ca+2 + 6 SiO2 + 7 H2O + log_k 91.8267 + -delta_H -495.457 kJ/mol # Calculated enthalpy of reaction Xonotlite # Enthalpy of formation: -2397.25 kcal/mol - -analytic 1.6080e+003 3.7309e-001 -2.2548e+004 -6.2716e+002 -3.8346e+002 + -analytic 1.608e+3 3.7309e-1 -2.2548e+4 -6.2716e+2 -3.8346e+2 # -Range: 0-200 Y - Y +3.0000 H+ +0.7500 O2 = + 1.0000 Y+++ + 1.5000 H2O - log_k 184.5689 - -delta_H -1134.7 kJ/mol # Calculated enthalpy of reaction Y + Y + 3 H+ + 0.75 O2 = Y+3 + 1.5 H2O + log_k 184.5689 + -delta_H -1134.7 kJ/mol # Calculated enthalpy of reaction Y # Enthalpy of formation: 0 kJ/mol - -analytic -6.2641e+001 -2.8062e-002 5.9667e+004 2.2394e+001 9.3107e+002 + -analytic -6.2641e+1 -2.8062e-2 5.9667e+4 2.2394e+1 9.3107e+2 # -Range: 0-300 Yb - Yb +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Yb++ - log_k 137.1930 - -delta_H -810.303 kJ/mol # Calculated enthalpy of reaction Yb + Yb + 2 H+ + 0.5 O2 = H2O + Yb+2 + log_k 137.193 + -delta_H -810.303 kJ/mol # Calculated enthalpy of reaction Yb # Enthalpy of formation: 0 kJ/mol - -analytic -7.4712e+001 -2.0993e-002 4.4129e+004 2.8341e+001 6.8862e+002 + -analytic -7.4712e+1 -2.0993e-2 4.4129e+4 2.8341e+1 6.8862e+2 # -Range: 0-300 Yb(OH)3 - Yb(OH)3 +3.0000 H+ = + 1.0000 Yb+++ + 3.0000 H2O - log_k 14.6852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Yb(OH)3 + Yb(OH)3 + 3 H+ = Yb+3 + 3 H2O + log_k 14.6852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Yb(OH)3 # Enthalpy of formation: 0 kcal/mol Yb(OH)3(am) - Yb(OH)3 +3.0000 H+ = + 1.0000 Yb+++ + 3.0000 H2O - log_k 18.9852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Yb(OH)3(am) + Yb(OH)3 + 3 H+ = Yb+3 + 3 H2O + log_k 18.9852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Yb(OH)3(am) # Enthalpy of formation: 0 kcal/mol Yb2(CO3)3 - Yb2(CO3)3 +3.0000 H+ = + 2.0000 Yb+++ + 3.0000 HCO3- - log_k -2.3136 - -delta_H 0 # Not possible to calculate enthalpy of reaction Yb2(CO3)3 + Yb2(CO3)3 + 3 H+ = 2 Yb+3 + 3 HCO3- + log_k -2.3136 + -delta_H 0 # Not possible to calculate enthalpy of reaction Yb2(CO3)3 # Enthalpy of formation: 0 kcal/mol Yb2O3 - Yb2O3 +6.0000 H+ = + 2.0000 Yb+++ + 3.0000 H2O - log_k 47.8000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Yb2O3 + Yb2O3 + 6 H+ = 2 Yb+3 + 3 H2O + log_k 47.8 + -delta_H 0 # Not possible to calculate enthalpy of reaction Yb2O3 # Enthalpy of formation: 0 kcal/mol YbF3:.5H2O - YbF3:.5H2O = + 0.5000 H2O + 1.0000 Yb+++ + 3.0000 F- - log_k -16.0000 - -delta_H 0 # Not possible to calculate enthalpy of reaction YbF3:.5H2O + YbF3:.5H2O = 0.5 H2O + Yb+3 + 3 F- + log_k -16 + -delta_H 0 # Not possible to calculate enthalpy of reaction YbF3:.5H2O # Enthalpy of formation: 0 kcal/mol YbPO4:10H2O - YbPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 Yb+++ + 10.0000 H2O - log_k -11.7782 - -delta_H 0 # Not possible to calculate enthalpy of reaction YbPO4:10H2O + YbPO4:10H2O + H+ = HPO4-2 + Yb+3 + 10 H2O + log_k -11.7782 + -delta_H 0 # Not possible to calculate enthalpy of reaction YbPO4:10H2O # Enthalpy of formation: 0 kcal/mol Zincite - ZnO +2.0000 H+ = + 1.0000 H2O + 1.0000 Zn++ - log_k 11.2087 - -delta_H -88.7638 kJ/mol # Calculated enthalpy of reaction Zincite + ZnO + 2 H+ = H2O + Zn+2 + log_k 11.2087 + -delta_H -88.7638 kJ/mol # Calculated enthalpy of reaction Zincite # Enthalpy of formation: -350.46 kJ/mol - -analytic -8.6681e+001 -1.9324e-002 7.1034e+003 3.2256e+001 1.1087e+002 + -analytic -8.6681e+1 -1.9324e-2 7.1034e+3 3.2256e+1 1.1087e+2 # -Range: 0-300 Zircon - ZrSiO4 +2.0000 H+ = + 1.0000 SiO2 + 1.0000 Zr(OH)2++ - log_k -15.4193 - -delta_H 64.8635 kJ/mol # Calculated enthalpy of reaction Zircon + ZrSiO4 + 2 H+ = SiO2 + Zr(OH)2+2 + log_k -15.4193 + -delta_H 64.8635 kJ/mol # Calculated enthalpy of reaction Zircon # Enthalpy of formation: -2033.4 kJ/mol - -analytic 9.2639e+000 6.5416e-003 5.0759e+002 -8.4547e+000 -6.6155e+005 + -analytic 9.2639e+0 6.5416e-3 5.0759e+2 -8.4547e+0 -6.6155e+5 # -Range: 0-300 Zn - Zn +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Zn++ - log_k 68.8035 - -delta_H -433.157 kJ/mol # Calculated enthalpy of reaction Zn + Zn + 2 H+ + 0.5 O2 = H2O + Zn+2 + log_k 68.8035 + -delta_H -433.157 kJ/mol # Calculated enthalpy of reaction Zn # Enthalpy of formation: 0 kJ/mol - -analytic -6.4131e+001 -2.0009e-002 2.3921e+004 2.3702e+001 3.7329e+002 + -analytic -6.4131e+1 -2.0009e-2 2.3921e+4 2.3702e+1 3.7329e+2 # -Range: 0-300 Zn(BO2)2 - Zn(BO2)2 +2.0000 H+ +2.0000 H2O = + 1.0000 Zn++ + 2.0000 B(OH)3 - log_k 8.3130 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(BO2)2 + Zn(BO2)2 + 2 H+ + 2 H2O = Zn+2 + 2 B(OH)3 + log_k 8.313 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(BO2)2 # Enthalpy of formation: 0 kcal/mol Zn(ClO4)2:6H2O - Zn(ClO4)2:6H2O = + 1.0000 Zn++ + 2.0000 ClO4- + 6.0000 H2O - log_k 5.6474 - -delta_H 6.31871 kJ/mol # Calculated enthalpy of reaction Zn(ClO4)2:6H2O + Zn(ClO4)2:6H2O = Zn+2 + 2 ClO4- + 6 H2O + log_k 5.6474 + -delta_H 6.31871 kJ/mol # Calculated enthalpy of reaction Zn(ClO4)2:6H2O # Enthalpy of formation: -2133.39 kJ/mol - -analytic -1.8191e+002 -9.1383e-003 7.4822e+003 6.6751e+001 1.2712e+002 + -analytic -1.8191e+2 -9.1383e-3 7.4822e+3 6.6751e+1 1.2712e+2 # -Range: 0-200 Zn(IO3)2 - Zn(IO3)2 = + 1.0000 Zn++ + 2.0000 IO3- - log_k -5.3193 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(IO3)2 + Zn(IO3)2 = Zn+2 + 2 IO3- + log_k -5.3193 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(IO3)2 # Enthalpy of formation: 0 kcal/mol Zn(NO3)2:6H2O - Zn(NO3)2:6H2O = + 1.0000 Zn++ + 2.0000 NO3- + 6.0000 H2O - log_k 3.4102 - -delta_H 24.7577 kJ/mol # Calculated enthalpy of reaction Zn(NO3)2:6H2O + Zn(NO3)2:6H2O = Zn+2 + 2 NO3- + 6 H2O + log_k 3.4102 + -delta_H 24.7577 kJ/mol # Calculated enthalpy of reaction Zn(NO3)2:6H2O # Enthalpy of formation: -2306.8 kJ/mol - -analytic -1.7152e+002 -1.6875e-002 5.6291e+003 6.5094e+001 9.5649e+001 + -analytic -1.7152e+2 -1.6875e-2 5.6291e+3 6.5094e+1 9.5649e+1 # -Range: 0-200 Zn(OH)2(beta) - Zn(OH)2 +2.0000 H+ = + 1.0000 Zn++ + 2.0000 H2O - log_k 11.9341 - -delta_H -83.2111 kJ/mol # Calculated enthalpy of reaction Zn(OH)2(beta) + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 11.9341 + -delta_H -83.2111 kJ/mol # Calculated enthalpy of reaction Zn(OH)2(beta) # Enthalpy of formation: -641.851 kJ/mol - -analytic -7.7810e+001 -7.8548e-003 7.1994e+003 2.7455e+001 1.2228e+002 + -analytic -7.781e+1 -7.8548e-3 7.1994e+3 2.7455e+1 1.2228e+2 # -Range: 0-200 Zn(OH)2(epsilon) - Zn(OH)2 +2.0000 H+ = + 1.0000 Zn++ + 2.0000 H2O - log_k 11.6625 - -delta_H -81.7811 kJ/mol # Calculated enthalpy of reaction Zn(OH)2(epsilon) + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 11.6625 + -delta_H -81.7811 kJ/mol # Calculated enthalpy of reaction Zn(OH)2(epsilon) # Enthalpy of formation: -643.281 kJ/mol - -analytic -7.7938e+001 -7.8767e-003 7.1282e+003 2.7496e+001 1.2107e+002 + -analytic -7.7938e+1 -7.8767e-3 7.1282e+3 2.7496e+1 1.2107e+2 # -Range: 0-200 Zn(OH)2(gamma) - Zn(OH)2 +2.0000 H+ = + 1.0000 Zn++ + 2.0000 H2O - log_k 11.8832 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)2(gamma) + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 11.8832 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)2(gamma) # Enthalpy of formation: 0 kcal/mol Zn2(OH)3Cl - Zn2(OH)3Cl +3.0000 H+ = + 1.0000 Cl- + 2.0000 Zn++ + 3.0000 H2O - log_k 15.2921 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zn2(OH)3Cl + Zn2(OH)3Cl + 3 H+ = Cl- + 2 Zn+2 + 3 H2O + log_k 15.2921 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zn2(OH)3Cl # Enthalpy of formation: 0 kcal/mol Zn2SO4(OH)2 - Zn2SO4(OH)2 +2.0000 H+ = + 1.0000 SO4-- + 2.0000 H2O + 2.0000 Zn++ - log_k 7.5816 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zn2SO4(OH)2 + Zn2SO4(OH)2 + 2 H+ = SO4-2 + 2 H2O + 2 Zn+2 + log_k 7.5816 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zn2SO4(OH)2 # Enthalpy of formation: 0 kcal/mol Zn2SiO4 - Zn2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Zn++ - log_k 13.8695 - -delta_H -119.399 kJ/mol # Calculated enthalpy of reaction Zn2SiO4 + Zn2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Zn+2 + log_k 13.8695 + -delta_H -119.399 kJ/mol # Calculated enthalpy of reaction Zn2SiO4 # Enthalpy of formation: -1636.75 kJ/mol - -analytic 2.0970e+002 5.3663e-002 -1.2724e+002 -8.5445e+001 -2.2336e+000 + -analytic 2.097e+2 5.3663e-2 -1.2724e+2 -8.5445e+1 -2.2336e+0 # -Range: 0-200 Zn2TiO4 - Zn2TiO4 +4.0000 H+ = + 1.0000 Ti(OH)4 + 2.0000 Zn++ - log_k 12.3273 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zn2TiO4 + Zn2TiO4 + 4 H+ = Ti(OH)4 + 2 Zn+2 + log_k 12.3273 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zn2TiO4 # Enthalpy of formation: -1647.85 kJ/mol Zn3(AsO4)2 - Zn3(AsO4)2 +4.0000 H+ = + 2.0000 H2AsO4- + 3.0000 Zn++ - log_k 9.3122 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zn3(AsO4)2 + Zn3(AsO4)2 + 4 H+ = 2 H2AsO4- + 3 Zn+2 + log_k 9.3122 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zn3(AsO4)2 # Enthalpy of formation: 0 kcal/mol Zn3O(SO4)2 - Zn3O(SO4)2 +2.0000 H+ = + 1.0000 H2O + 2.0000 SO4-- + 3.0000 Zn++ - log_k 19.1188 - -delta_H -258.253 kJ/mol # Calculated enthalpy of reaction Zn3O(SO4)2 + Zn3O(SO4)2 + 2 H+ = H2O + 2 SO4-2 + 3 Zn+2 + log_k 19.1188 + -delta_H -258.253 kJ/mol # Calculated enthalpy of reaction Zn3O(SO4)2 # Enthalpy of formation: -2306.95 kJ/mol - -analytic -3.9661e+001 -4.3860e-002 1.1301e+004 1.3709e+001 1.9193e+002 + -analytic -3.9661e+1 -4.386e-2 1.1301e+4 1.3709e+1 1.9193e+2 # -Range: 0-200 Zn5(NO3)2(OH)8 - Zn5(NO3)2(OH)8 +8.0000 H+ = + 2.0000 NO3- + 5.0000 Zn++ + 8.0000 H2O - log_k 42.6674 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zn5(NO3)2(OH)8 + Zn5(NO3)2(OH)8 + 8 H+ = 2 NO3- + 5 Zn+2 + 8 H2O + log_k 42.6674 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zn5(NO3)2(OH)8 # Enthalpy of formation: 0 kcal/mol ZnBr2 - ZnBr2 = + 1.0000 Zn++ + 2.0000 Br- - log_k 7.5787 - -delta_H -67.7622 kJ/mol # Calculated enthalpy of reaction ZnBr2 + ZnBr2 = Zn+2 + 2 Br- + log_k 7.5787 + -delta_H -67.7622 kJ/mol # Calculated enthalpy of reaction ZnBr2 # Enthalpy of formation: -328.63 kJ/mol - -analytic 6.5789e-002 -2.1477e-002 1.9840e+003 2.9302e+000 3.3691e+001 + -analytic 6.5789e-2 -2.1477e-2 1.984e+3 2.9302e+0 3.3691e+1 # -Range: 0-200 ZnBr2:2H2O - ZnBr2:2H2O = + 1.0000 Zn++ + 2.0000 Br- + 2.0000 H2O - log_k 5.2999 - -delta_H -30.9268 kJ/mol # Calculated enthalpy of reaction ZnBr2:2H2O + ZnBr2:2H2O = Zn+2 + 2 Br- + 2 H2O + log_k 5.2999 + -delta_H -30.9268 kJ/mol # Calculated enthalpy of reaction ZnBr2:2H2O # Enthalpy of formation: -937.142 kJ/mol - -analytic -4.9260e+001 -2.1682e-002 2.4325e+003 2.1360e+001 4.1324e+001 + -analytic -4.926e+1 -2.1682e-2 2.4325e+3 2.136e+1 4.1324e+1 # -Range: 0-200 ZnCO3:H2O - ZnCO3:H2O +1.0000 H+ = + 1.0000 H2O + 1.0000 HCO3- + 1.0000 Zn++ - log_k 0.1398 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZnCO3:H2O + ZnCO3:H2O + H+ = H2O + HCO3- + Zn+2 + log_k 0.1398 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZnCO3:H2O # Enthalpy of formation: 0 kcal/mol ZnCl2 - ZnCl2 = + 1.0000 Zn++ + 2.0000 Cl- - log_k 7.0880 - -delta_H -72.4548 kJ/mol # Calculated enthalpy of reaction ZnCl2 + ZnCl2 = Zn+2 + 2 Cl- + log_k 7.088 + -delta_H -72.4548 kJ/mol # Calculated enthalpy of reaction ZnCl2 # Enthalpy of formation: -415.09 kJ/mol - -analytic -1.6157e+001 -2.5405e-002 2.6505e+003 8.8584e+000 4.5015e+001 + -analytic -1.6157e+1 -2.5405e-2 2.6505e+3 8.8584e+0 4.5015e+1 # -Range: 0-200 ZnCl2(NH3)2 - ZnCl2(NH3)2 = + 1.0000 Zn++ + 2.0000 Cl- + 2.0000 NH3 - log_k -6.9956 - -delta_H 27.2083 kJ/mol # Calculated enthalpy of reaction ZnCl2(NH3)2 + ZnCl2(NH3)2 = Zn+2 + 2 Cl- + 2 NH3 + log_k -6.9956 + -delta_H 27.2083 kJ/mol # Calculated enthalpy of reaction ZnCl2(NH3)2 # Enthalpy of formation: -677.427 kJ/mol - -analytic -5.9409e+001 -2.2698e-002 -2.9178e+002 2.4308e+001 -4.9341e+000 + -analytic -5.9409e+1 -2.2698e-2 -2.9178e+2 2.4308e+1 -4.9341e+0 # -Range: 0-200 ZnCl2(NH3)4 - ZnCl2(NH3)4 = + 1.0000 Zn++ + 2.0000 Cl- + 4.0000 NH3 - log_k -6.6955 - -delta_H 56.2004 kJ/mol # Calculated enthalpy of reaction ZnCl2(NH3)4 + ZnCl2(NH3)4 = Zn+2 + 2 Cl- + 4 NH3 + log_k -6.6955 + -delta_H 56.2004 kJ/mol # Calculated enthalpy of reaction ZnCl2(NH3)4 # Enthalpy of formation: -869.093 kJ/mol - -analytic -9.9769e+001 -1.9793e-002 4.2916e+002 3.9412e+001 7.3223e+000 + -analytic -9.9769e+1 -1.9793e-2 4.2916e+2 3.9412e+1 7.3223e+0 # -Range: 0-200 ZnCl2(NH3)6 - ZnCl2(NH3)6 = + 1.0000 Zn++ + 2.0000 Cl- + 6.0000 NH3 - log_k -4.7311 - -delta_H 77.4225 kJ/mol # Calculated enthalpy of reaction ZnCl2(NH3)6 + ZnCl2(NH3)6 = Zn+2 + 2 Cl- + 6 NH3 + log_k -4.7311 + -delta_H 77.4225 kJ/mol # Calculated enthalpy of reaction ZnCl2(NH3)6 # Enthalpy of formation: -1052.99 kJ/mol - -analytic -1.3984e+002 -1.6896e-002 1.5559e+003 5.4524e+001 2.6470e+001 + -analytic -1.3984e+2 -1.6896e-2 1.5559e+3 5.4524e+1 2.647e+1 # -Range: 0-200 ZnCr2O4 - ZnCr2O4 +8.0000 H+ = + 1.0000 Zn++ + 2.0000 Cr+++ + 4.0000 H2O - log_k 7.9161 - -delta_H -221.953 kJ/mol # Calculated enthalpy of reaction ZnCr2O4 + ZnCr2O4 + 8 H+ = Zn+2 + 2 Cr+3 + 4 H2O + log_k 7.9161 + -delta_H -221.953 kJ/mol # Calculated enthalpy of reaction ZnCr2O4 # Enthalpy of formation: -370.88 kcal/mol - -analytic -1.7603e+002 -1.0217e-002 1.7414e+004 5.1966e+001 2.9577e+002 + -analytic -1.7603e+2 -1.0217e-2 1.7414e+4 5.1966e+1 2.9577e+2 # -Range: 0-200 ZnF2 - ZnF2 = + 1.0000 Zn++ + 2.0000 F- - log_k -0.4418 - -delta_H -59.8746 kJ/mol # Calculated enthalpy of reaction ZnF2 + ZnF2 = Zn+2 + 2 F- + log_k -0.4418 + -delta_H -59.8746 kJ/mol # Calculated enthalpy of reaction ZnF2 # Enthalpy of formation: -764.206 kJ/mol - -analytic -2.6085e+002 -8.4594e-002 9.0240e+003 1.0318e+002 1.4089e+002 + -analytic -2.6085e+2 -8.4594e-2 9.024e+3 1.0318e+2 1.4089e+2 # -Range: 0-300 ZnI2 - ZnI2 = + 1.0000 Zn++ + 2.0000 I- - log_k 7.3885 - -delta_H -59.2332 kJ/mol # Calculated enthalpy of reaction ZnI2 + ZnI2 = Zn+2 + 2 I- + log_k 7.3885 + -delta_H -59.2332 kJ/mol # Calculated enthalpy of reaction ZnI2 # Enthalpy of formation: -207.957 kJ/mol - -analytic -1.6472e+001 -2.5573e-002 2.0796e+003 9.9013e+000 3.5320e+001 + -analytic -1.6472e+1 -2.5573e-2 2.0796e+3 9.9013e+0 3.532e+1 # -Range: 0-200 ZnSO4 - ZnSO4 = + 1.0000 SO4-- + 1.0000 Zn++ - log_k 3.5452 - -delta_H -80.132 kJ/mol # Calculated enthalpy of reaction ZnSO4 + ZnSO4 = SO4-2 + Zn+2 + log_k 3.5452 + -delta_H -80.132 kJ/mol # Calculated enthalpy of reaction ZnSO4 # Enthalpy of formation: -982.855 kJ/mol - -analytic 6.9905e+000 -1.8046e-002 2.2566e+003 -2.2819e+000 3.8318e+001 + -analytic 6.9905e+0 -1.8046e-2 2.2566e+3 -2.2819e+0 3.8318e+1 # -Range: 0-200 ZnSO4:6H2O - ZnSO4:6H2O = + 1.0000 SO4-- + 1.0000 Zn++ + 6.0000 H2O - log_k -1.6846 - -delta_H -0.412008 kJ/mol # Calculated enthalpy of reaction ZnSO4:6H2O + ZnSO4:6H2O = SO4-2 + Zn+2 + 6 H2O + log_k -1.6846 + -delta_H -0.412008 kJ/mol # Calculated enthalpy of reaction ZnSO4:6H2O # Enthalpy of formation: -2777.61 kJ/mol - -analytic -1.4506e+002 -1.8736e-002 5.2179e+003 5.3121e+001 8.8657e+001 + -analytic -1.4506e+2 -1.8736e-2 5.2179e+3 5.3121e+1 8.8657e+1 # -Range: 0-200 ZnSO4:7H2O - ZnSO4:7H2O = + 1.0000 SO4-- + 1.0000 Zn++ + 7.0000 H2O - log_k -1.8683 - -delta_H 14.0417 kJ/mol # Calculated enthalpy of reaction ZnSO4:7H2O + ZnSO4:7H2O = SO4-2 + Zn+2 + 7 H2O + log_k -1.8683 + -delta_H 14.0417 kJ/mol # Calculated enthalpy of reaction ZnSO4:7H2O # Enthalpy of formation: -3077.9 kJ/mol - -analytic -1.6943e+002 -1.8833e-002 5.6484e+003 6.2326e+001 9.5975e+001 + -analytic -1.6943e+2 -1.8833e-2 5.6484e+3 6.2326e+1 9.5975e+1 # -Range: 0-200 ZnSO4:H2O - ZnSO4:H2O = + 1.0000 H2O + 1.0000 SO4-- + 1.0000 Zn++ - log_k -0.5383 - -delta_H -44.2824 kJ/mol # Calculated enthalpy of reaction ZnSO4:H2O + ZnSO4:H2O = H2O + SO4-2 + Zn+2 + log_k -0.5383 + -delta_H -44.2824 kJ/mol # Calculated enthalpy of reaction ZnSO4:H2O # Enthalpy of formation: -1304.54 kJ/mol - -analytic -1.7908e+001 -1.8228e-002 1.5811e+003 7.0677e+000 2.6856e+001 + -analytic -1.7908e+1 -1.8228e-2 1.5811e+3 7.0677e+0 2.6856e+1 # -Range: 0-200 ZnSeO3:H2O - ZnSeO3:H2O = + 1.0000 H2O + 1.0000 SeO3-- + 1.0000 Zn++ - log_k -6.7408 - -delta_H -17.9056 kJ/mol # Calculated enthalpy of reaction ZnSeO3:H2O + ZnSeO3:H2O = H2O + SeO3-2 + Zn+2 + log_k -6.7408 + -delta_H -17.9056 kJ/mol # Calculated enthalpy of reaction ZnSeO3:H2O # Enthalpy of formation: -930.511 kJ/mol - -analytic -1.8569e+001 -1.9929e-002 6.4377e+001 7.0892e+000 1.0996e+000 + -analytic -1.8569e+1 -1.9929e-2 6.4377e+1 7.0892e+0 1.0996e+0 # -Range: 0-200 Zoisite - Ca2Al3(SiO4)3OH +13.0000 H+ = + 2.0000 Ca++ + 3.0000 Al+++ + 3.0000 SiO2 + 7.0000 H2O - log_k 43.3017 - -delta_H -458.131 kJ/mol # Calculated enthalpy of reaction Zoisite + Ca2Al3(SiO4)3OH + 13 H+ = 2 Ca+2 + 3 Al+3 + 3 SiO2 + 7 H2O + log_k 43.3017 + -delta_H -458.131 kJ/mol # Calculated enthalpy of reaction Zoisite # Enthalpy of formation: -1643.69 kcal/mol - -analytic 2.5321e+000 -3.5886e-002 1.9902e+004 -6.2443e+000 3.1055e+002 + -analytic 2.5321e+0 -3.5886e-2 1.9902e+4 -6.2443e+0 3.1055e+2 # -Range: 0-300 Zr - Zr +2.0000 H+ +1.0000 O2 = + 1.0000 Zr(OH)2++ - log_k 177.6471 - -delta_H -1078.71 kJ/mol # Calculated enthalpy of reaction Zr + Zr + 2 H+ + O2 = Zr(OH)2+2 + log_k 177.6471 + -delta_H -1078.71 kJ/mol # Calculated enthalpy of reaction Zr # Enthalpy of formation: 0 kJ/mol - -analytic -2.8360e+001 -1.5214e-002 5.8045e+004 7.8012e+000 -3.0657e+005 + -analytic -2.836e+1 -1.5214e-2 5.8045e+4 7.8012e+0 -3.0657e+5 # -Range: 0-300 ZrB2 - ZrB2 +3.0000 H+ +2.0000 H2O +0.5000 O2 = + 1.0000 B(OH)3 + 1.0000 BH4- + 1.0000 Zr++++ - log_k 103.4666 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZrB2 + ZrB2 + 3 H+ + 2 H2O + 0.5 O2 = B(OH)3 + BH4- + Zr+4 + log_k 103.4666 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZrB2 # Enthalpy of formation: -326.628 kJ/mol ZrC - ZrC +3.0000 H+ +2.0000 O2 = + 1.0000 H2O + 1.0000 HCO3- + 1.0000 Zr++++ - log_k 207.0906 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZrC + ZrC + 3 H+ + 2 O2 = H2O + HCO3- + Zr+4 + log_k 207.0906 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZrC # Enthalpy of formation: -203.008 kJ/mol ZrCl - ZrCl +3.0000 H+ +0.7500 O2 = + 1.0000 Cl- + 1.0000 Zr++++ + 1.5000 H2O - log_k 130.9450 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZrCl + ZrCl + 3 H+ + 0.75 O2 = Cl- + Zr+4 + 1.5 H2O + log_k 130.945 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZrCl # Enthalpy of formation: -303.211 kJ/mol ZrCl2 - ZrCl2 +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Zr++++ + 2.0000 Cl- - log_k 96.3205 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZrCl2 + ZrCl2 + 2 H+ + 0.5 O2 = H2O + Zr+4 + 2 Cl- + log_k 96.3205 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZrCl2 # Enthalpy of formation: -531.021 kJ/mol ZrCl3 - ZrCl3 +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Zr++++ + 3.0000 Cl- - log_k 62.4492 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZrCl3 + ZrCl3 + H+ + 0.25 O2 = 0.5 H2O + Zr+4 + 3 Cl- + log_k 62.4492 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZrCl3 # Enthalpy of formation: -754.997 kJ/mol ZrCl4 - ZrCl4 = + 1.0000 Zr++++ + 4.0000 Cl- - log_k 27.9824 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZrCl4 + ZrCl4 = Zr+4 + 4 Cl- + log_k 27.9824 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZrCl4 # Enthalpy of formation: -980.762 kJ/mol ZrF4(beta) - ZrF4 = + 1.0000 Zr++++ + 4.0000 F- - log_k -27.7564 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF4(beta) + ZrF4 = Zr+4 + 4 F- + log_k -27.7564 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF4(beta) # Enthalpy of formation: -1911.26 kJ/mol ZrH2 - ZrH2 +4.0000 H+ +1.5000 O2 = + 1.0000 Zr++++ + 3.0000 H2O - log_k 198.3224 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZrH2 + ZrH2 + 4 H+ + 1.5 O2 = Zr+4 + 3 H2O + log_k 198.3224 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZrH2 # Enthalpy of formation: -168.946 kJ/mol ZrN - ZrN +4.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 NH3 + 1.0000 Zr++++ - log_k 59.1271 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZrN + ZrN + 4 H+ + 0.25 O2 = 0.5 H2O + NH3 + Zr+4 + log_k 59.1271 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZrN # Enthalpy of formation: -365 kJ/mol O-phthalic_acid - H2O_phthalate = + 1.0000 O_phthalate-2 + 2.0000 H+ - log_k -9.7755 - -delta_H 0 # Not possible to calculate enthalpy of reaction O-phthalic_acid + H2O_phthalate = O_phthalate-2 + 2 H+ + log_k -9.7755 + -delta_H 0 # Not possible to calculate enthalpy of reaction O-phthalic_acid # Enthalpy of formation: -186.88 kJ/mol - -analytic 7.3450e+001 1.9477e-002 -3.6511e+003 -3.1035e+001 -6.2027e+001 + -analytic 7.345e+1 1.9477e-2 -3.6511e+3 -3.1035e+1 -6.2027e+1 # -Range: 0-200 Br2(l) - Br2 +1.0000 H2O = + 0.5000 O2 + 2.0000 Br- + 2.0000 H+ - log_k -6.5419 - -delta_H 36.7648 kJ/mol # Calculated enthalpy of reaction Br2(l) + Br2 + H2O = 0.5 O2 + 2 Br- + 2 H+ + log_k -6.5419 + -delta_H 36.7648 kJ/mol # Calculated enthalpy of reaction Br2(l) # Enthalpy of formation: 0 kJ/mol - -analytic -1.5875e+002 -5.8039e-002 1.5583e+003 6.6381e+001 2.4362e+001 + -analytic -1.5875e+2 -5.8039e-2 1.5583e+3 6.6381e+1 2.4362e+1 # -Range: 0-300 Hg(l) - Hg +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Hg++ - log_k 14.1505 - -delta_H -109.608 kJ/mol # Calculated enthalpy of reaction Hg(l) + Hg + 2 H+ + 0.5 O2 = H2O + Hg+2 + log_k 14.1505 + -delta_H -109.608 kJ/mol # Calculated enthalpy of reaction Hg(l) # Enthalpy of formation: 0 kcal/mol - -analytic -6.6462e+001 -1.8504e-002 7.3141e+003 2.4888e+001 1.1415e+002 + -analytic -6.6462e+1 -1.8504e-2 7.3141e+3 2.4888e+1 1.1415e+2 # -Range: 0-300 Ag(g) - Ag +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Ag+ - log_k 51.0924 - -delta_H -319.035 kJ/mol # Calculated enthalpy of reaction Ag(g) + Ag + H+ + 0.25 O2 = 0.5 H2O + Ag+ + log_k 51.0924 + -delta_H -319.035 kJ/mol # Calculated enthalpy of reaction Ag(g) # Enthalpy of formation: 284.9 kJ/mol - -analytic -5.8006e+000 1.7178e-003 1.6809e+004 0.0000e+000 0.0000e+000 + -analytic -5.8006e+0 1.7178e-3 1.6809e+4 0e+0 0e+0 # -Range: 0-200 Al(g) - Al +3.0000 H+ +0.7500 O2 = + 1.0000 Al+++ + 1.5000 H2O - log_k 200.6258 - -delta_H -1288.06 kJ/mol # Calculated enthalpy of reaction Al(g) + Al + 3 H+ + 0.75 O2 = Al+3 + 1.5 H2O + log_k 200.6258 + -delta_H -1288.06 kJ/mol # Calculated enthalpy of reaction Al(g) # Enthalpy of formation: 330 kJ/mol - -analytic 9.6402e+000 -6.9301e-003 6.5270e+004 -1.0461e+001 1.1084e+003 + -analytic 9.6402e+0 -6.9301e-3 6.527e+4 -1.0461e+1 1.1084e+3 # -Range: 0-200 Am(g) - Am +3.0000 H+ +0.7500 O2 = + 1.0000 Am+++ + 1.5000 H2O - log_k 211.7865 - -delta_H -1320.16 kJ/mol # Calculated enthalpy of reaction Am(g) + Am + 3 H+ + 0.75 O2 = Am+3 + 1.5 H2O + log_k 211.7865 + -delta_H -1320.16 kJ/mol # Calculated enthalpy of reaction Am(g) # Enthalpy of formation: 283.8 kJ/mol - -analytic -1.4236e+001 -8.7560e-003 6.8166e+004 0.0000e+000 0.0000e+000 + -analytic -1.4236e+1 -8.756e-3 6.8166e+4 0e+0 0e+0 # -Range: 0-300 AmF3(g) - AmF3 = + 1.0000 Am+++ + 3.0000 F- - log_k 49.8631 - -delta_H -455.843 kJ/mol # Calculated enthalpy of reaction AmF3(g) + AmF3 = Am+3 + 3 F- + log_k 49.8631 + -delta_H -455.843 kJ/mol # Calculated enthalpy of reaction AmF3(g) # Enthalpy of formation: -1166.9 kJ/mol - -analytic -4.7209e+001 -3.6440e-002 2.2278e+004 1.3418e+001 3.7833e+002 + -analytic -4.7209e+1 -3.644e-2 2.2278e+4 1.3418e+1 3.7833e+2 # -Range: 0-200 Ar(g) - Ar = + 1.0000 Ar - log_k -2.8587 - -delta_H -12.0081 kJ/mol # Calculated enthalpy of reaction Ar(g) + Ar = Ar + log_k -2.8587 + -delta_H -12.0081 kJ/mol # Calculated enthalpy of reaction Ar(g) # Enthalpy of formation: 0 kcal/mol - -analytic -7.4387e+000 7.8991e-003 0.0000e+000 0.0000e+000 1.9830e+005 + -analytic -7.4387e+0 7.8991e-3 0e+0 0e+0 1.983e+5 # -Range: 0-300 B(g) - B +1.5000 H2O +0.7500 O2 = + 1.0000 B(OH)3 - log_k 200.8430 - -delta_H -1201.68 kJ/mol # Calculated enthalpy of reaction B(g) + B + 1.5 H2O + 0.75 O2 = B(OH)3 + log_k 200.843 + -delta_H -1201.68 kJ/mol # Calculated enthalpy of reaction B(g) # Enthalpy of formation: 565 kJ/mol - -analytic 1.0834e+002 1.0606e-002 5.8150e+004 -4.2720e+001 9.8743e+002 + -analytic 1.0834e+2 1.0606e-2 5.815e+4 -4.272e+1 9.8743e+2 # -Range: 0-200 BF3(g) - BF3 +3.0000 H2O = + 1.0000 B(OH)3 + 3.0000 F- + 3.0000 H+ - log_k -2.9664 - -delta_H -87.0627 kJ/mol # Calculated enthalpy of reaction BF3(g) + BF3 + 3 H2O = B(OH)3 + 3 F- + 3 H+ + log_k -2.9664 + -delta_H -87.0627 kJ/mol # Calculated enthalpy of reaction BF3(g) # Enthalpy of formation: -1136 kJ/mol - -analytic 5.2848e+001 -2.4617e-002 -1.8159e+002 -1.9350e+001 -3.1018e+000 + -analytic 5.2848e+1 -2.4617e-2 -1.8159e+2 -1.935e+1 -3.1018e+0 # -Range: 0-200 Be(g) - Be +2.0000 H+ +0.5000 O2 = + 1.0000 Be++ + 1.0000 H2O - log_k 361.9343 - -delta_H 0 # Not possible to calculate enthalpy of reaction Be(g) + Be + 2 H+ + 0.5 O2 = Be+2 + H2O + log_k 361.9343 + -delta_H 0 # Not possible to calculate enthalpy of reaction Be(g) # Enthalpy of formation: 0 kcal/mol Br2(g) - Br2 +1.0000 H2O = + 0.5000 O2 + 2.0000 Br- + 2.0000 H+ - log_k -5.9979 - -delta_H 5.85481 kJ/mol # Calculated enthalpy of reaction Br2(g) + Br2 + H2O = 0.5 O2 + 2 Br- + 2 H+ + log_k -5.9979 + -delta_H 5.85481 kJ/mol # Calculated enthalpy of reaction Br2(g) # Enthalpy of formation: 30.91 kJ/mol - -analytic -3.2403e+000 -1.7609e-002 -1.4941e+003 3.0300e+000 -2.5370e+001 + -analytic -3.2403e+0 -1.7609e-2 -1.4941e+3 3.03e+0 -2.537e+1 # -Range: 0-200 C(g) - C +1.0000 H2O +1.0000 O2 = + 1.0000 H+ + 1.0000 HCO3- - log_k 181.7723 - -delta_H -1108.64 kJ/mol # Calculated enthalpy of reaction C(g) + C + H2O + O2 = H+ + HCO3- + log_k 181.7723 + -delta_H -1108.64 kJ/mol # Calculated enthalpy of reaction C(g) # Enthalpy of formation: 716.68 kJ/mol - -analytic 1.0485e+002 1.7907e-003 5.2768e+004 -4.0661e+001 8.9605e+002 + -analytic 1.0485e+2 1.7907e-3 5.2768e+4 -4.0661e+1 8.9605e+2 # -Range: 0-200 Ethylene(g) - Ethylene = + 1.0000 Ethylene - log_k -2.3236 - -delta_H -16.4431 kJ/mol # Calculated enthalpy of reaction Ethylene(g) + Ethylene = Ethylene + log_k -2.3236 + -delta_H -16.4431 kJ/mol # Calculated enthalpy of reaction Ethylene(g) # Enthalpy of formation: 12.5 kcal/mol - -analytic -7.5368e+000 8.4676e-003 0.0000e+000 0.0000e+000 2.3971e+005 + -analytic -7.5368e+0 8.4676e-3 0e+0 0e+0 2.3971e+5 # -Range: 0-300 CH4(g) - CH4 = + 1.0000 CH4 - log_k -2.8502 - -delta_H -13.0959 kJ/mol # Calculated enthalpy of reaction CH4(g) + CH4 = CH4 + log_k -2.8502 + -delta_H -13.0959 kJ/mol # Calculated enthalpy of reaction CH4(g) # Enthalpy of formation: -17.88 kcal/mol - -analytic -2.4027e+001 4.7146e-003 3.7227e+002 6.4264e+000 2.3362e+005 + -analytic -2.4027e+1 4.7146e-3 3.7227e+2 6.4264e+0 2.3362e+5 # -Range: 0-300 CO(g) -# CO +1.0000 H2O +0.5000 O2 = + 1.0000 H+ + 1.0000 HCO3- +# CO +1.0000 H2O +0.5000 O2 = + 1.0000 H+ + 1.0000 HCO3- # log_k 38.6934 # -analytic -6.1217e+001 -3.1388e-002 1.5283e+004 2.3433e+001 2.3850e+002 # -Range: 0-300 CO = CO - log_k -3.0068 - -delta_H -10.4349 kJ/mol # Calculated enthalpy of reaction CO(g) + log_k -3.0068 + -delta_H -10.4349 kJ/mol # Calculated enthalpy of reaction CO(g) # Enthalpy of formation: -26.416 kcal/mol - -analytic -8.0849e+000 9.2114e-003 0.0000e+000 0.0000e+000 2.0813e+005 + -analytic -8.0849e+0 9.2114e-3 0e+0 0e+0 2.0813e+5 # -Range: 0-300 CO2(g) - CO2 +1.0000 H2O = + 1.0000 H+ + 1.0000 HCO3- - log_k -7.8136 - -delta_H -10.5855 kJ/mol # Calculated enthalpy of reaction CO2(g) + CO2 + H2O = H+ + HCO3- + log_k -7.8136 + -delta_H -10.5855 kJ/mol # Calculated enthalpy of reaction CO2(g) # Enthalpy of formation: -94.051 kcal/mol - -analytic -8.5938e+001 -3.0431e-002 2.0702e+003 3.2427e+001 3.2328e+001 + -analytic -8.5938e+1 -3.0431e-2 2.0702e+3 3.2427e+1 3.2328e+1 # -Range: 0-300 Ca(g) - Ca +2.0000 H+ +0.5000 O2 = + 1.0000 Ca++ + 1.0000 H2O - log_k 165.0778 - -delta_H -1000.65 kJ/mol # Calculated enthalpy of reaction Ca(g) + Ca + 2 H+ + 0.5 O2 = Ca+2 + H2O + log_k 165.0778 + -delta_H -1000.65 kJ/mol # Calculated enthalpy of reaction Ca(g) # Enthalpy of formation: 177.8 kJ/mol - -analytic -7.3029e+000 -4.8208e-003 5.1822e+004 0.0000e+000 0.0000e+000 + -analytic -7.3029e+0 -4.8208e-3 5.1822e+4 0e+0 0e+0 # -Range: 0-200 Cd(g) - Cd +2.0000 H+ +0.5000 O2 = + 1.0000 Cd++ + 1.0000 H2O - log_k 70.1363 - -delta_H -467.469 kJ/mol # Calculated enthalpy of reaction Cd(g) + Cd + 2 H+ + 0.5 O2 = Cd+2 + H2O + log_k 70.1363 + -delta_H -467.469 kJ/mol # Calculated enthalpy of reaction Cd(g) # Enthalpy of formation: 111.8 kJ/mol - -analytic -9.8665e+000 -3.0921e-003 2.4126e+004 0.0000e+000 0.0000e+000 + -analytic -9.8665e+0 -3.0921e-3 2.4126e+4 0e+0 0e+0 # -Range: 0-200 Cl2(g) - Cl2 +1.0000 H2O = + 0.5000 O2 + 2.0000 Cl- + 2.0000 H+ - log_k 3.0004 - -delta_H -54.3878 kJ/mol # Calculated enthalpy of reaction Cl2(g) + Cl2 + H2O = 0.5 O2 + 2 Cl- + 2 H+ + log_k 3.0004 + -delta_H -54.3878 kJ/mol # Calculated enthalpy of reaction Cl2(g) # Enthalpy of formation: 0 kJ/mol - -analytic -1.9456e+001 -2.1491e-002 2.0652e+003 8.8629e+000 3.5076e+001 + -analytic -1.9456e+1 -2.1491e-2 2.0652e+3 8.8629e+0 3.5076e+1 # -Range: 0-200 Cs(g) - Cs +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Cs+ - log_k 81.2805 - -delta_H -474.413 kJ/mol # Calculated enthalpy of reaction Cs(g) + Cs + H+ + 0.25 O2 = 0.5 H2O + Cs+ + log_k 81.2805 + -delta_H -474.413 kJ/mol # Calculated enthalpy of reaction Cs(g) # Enthalpy of formation: 76.5 kJ/mol - -analytic 4.1676e+001 9.1952e-003 2.3401e+004 -1.6824e+001 3.9736e+002 + -analytic 4.1676e+1 9.1952e-3 2.3401e+4 -1.6824e+1 3.9736e+2 # -Range: 0-200 Cu(g) - Cu +2.0000 H+ +0.5000 O2 = + 1.0000 Cu++ + 1.0000 H2O - log_k 83.6618 - -delta_H -551.483 kJ/mol # Calculated enthalpy of reaction Cu(g) + Cu + 2 H+ + 0.5 O2 = Cu+2 + H2O + log_k 83.6618 + -delta_H -551.483 kJ/mol # Calculated enthalpy of reaction Cu(g) # Enthalpy of formation: 337.4 kJ/mol - -analytic -1.1249e+001 -2.7585e-003 2.8541e+004 0.0000e+000 0.0000e+000 + -analytic -1.1249e+1 -2.7585e-3 2.8541e+4 0e+0 0e+0 # -Range: 0-200 F2(g) - F2 +1.0000 H2O = + 0.5000 O2 + 2.0000 F- + 2.0000 H+ - log_k 55.7197 - -delta_H -390.924 kJ/mol # Calculated enthalpy of reaction F2(g) + F2 + H2O = 0.5 O2 + 2 F- + 2 H+ + log_k 55.7197 + -delta_H -390.924 kJ/mol # Calculated enthalpy of reaction F2(g) # Enthalpy of formation: 0 kJ/mol - -analytic -3.2664e+001 -2.1035e-002 1.9974e+004 1.1174e+001 3.3920e+002 + -analytic -3.2664e+1 -2.1035e-2 1.9974e+4 1.1174e+1 3.392e+2 # -Range: 0-200 H2(g) -# H2 +0.5000 O2 = + 1.0000 H2O +# H2 +0.5000 O2 = + 1.0000 H2O # log_k 43.0016 # -analytic -1.1609e+001 -3.7580e-003 1.5068e+004 2.4198e+000 -7.0997e+004 # -Range: 0-300 H2 = H2 - log_k -3.1050 - -delta_H -4.184 kJ/mol # Calculated enthalpy of reaction H2(g) + log_k -3.105 + -delta_H -4.184 kJ/mol # Calculated enthalpy of reaction H2(g) # Enthalpy of formation: 0 kcal/mol - -analytic -9.3114e+000 4.6473e-003 -4.9335e+001 1.4341e+000 1.2815e+005 + -analytic -9.3114e+0 4.6473e-3 -4.9335e+1 1.4341e+0 1.2815e+5 # -Range: 0-300 H2O(g) - H2O = + 1.0000 H2O - log_k 1.5854 - -delta_H -43.4383 kJ/mol # Calculated enthalpy of reaction H2O(g) + H2O = H2O + log_k 1.5854 + -delta_H -43.4383 kJ/mol # Calculated enthalpy of reaction H2O(g) # Enthalpy of formation: -57.935 kcal/mol - -analytic -1.4782e+001 1.0752e-003 2.7519e+003 2.7548e+000 4.2945e+001 + -analytic -1.4782e+1 1.0752e-3 2.7519e+3 2.7548e+0 4.2945e+1 # -Range: 0-300 H2S(g) - H2S = + 1.0000 H+ + 1.0000 HS- - log_k -7.9759 - -delta_H 4.5229 kJ/mol # Calculated enthalpy of reaction H2S(g) + H2S = H+ + HS- + log_k -7.9759 + -delta_H 4.5229 kJ/mol # Calculated enthalpy of reaction H2S(g) # Enthalpy of formation: -4.931 kcal/mol - -analytic -9.7354e+001 -3.1576e-002 1.8285e+003 3.7440e+001 2.8560e+001 + -analytic -9.7354e+1 -3.1576e-2 1.8285e+3 3.744e+1 2.856e+1 # -Range: 0-300 HBr(g) - HBr = + 1.0000 Br- + 1.0000 H+ - log_k 8.8815 - -delta_H -85.2134 kJ/mol # Calculated enthalpy of reaction HBr(g) + HBr = Br- + H+ + log_k 8.8815 + -delta_H -85.2134 kJ/mol # Calculated enthalpy of reaction HBr(g) # Enthalpy of formation: -36.29 kJ/mol - -analytic 8.1303e+000 -6.6641e-003 3.3951e+003 -3.4973e+000 5.7651e+001 + -analytic 8.1303e+0 -6.6641e-3 3.3951e+3 -3.4973e+0 5.7651e+1 # -Range: 0-200 HCl(g) - HCl = + 1.0000 Cl- + 1.0000 H+ - log_k 6.3055 - -delta_H -74.7697 kJ/mol # Calculated enthalpy of reaction HCl(g) + HCl = Cl- + H+ + log_k 6.3055 + -delta_H -74.7697 kJ/mol # Calculated enthalpy of reaction HCl(g) # Enthalpy of formation: -92.31 kJ/mol - -analytic -2.8144e-001 -8.6776e-003 3.0668e+003 -4.5105e-001 5.2078e+001 + -analytic -2.8144e-1 -8.6776e-3 3.0668e+3 -4.5105e-1 5.2078e+1 # -Range: 0-200 HF(g) - HF = + 1.0000 F- + 1.0000 H+ - log_k 1.1126 - -delta_H 0 # Not possible to calculate enthalpy of reaction Hf(g) + HF = F- + H+ + log_k 1.1126 + -delta_H 0 # Not possible to calculate enthalpy of reaction Hf(g) # Enthalpy of formation: 619.234 kJ/mol - -analytic -8.5783e+000 -8.8440e-003 2.6279e+003 1.4180e+000 4.4628e+001 + -analytic -8.5783e+0 -8.844e-3 2.6279e+3 1.418e+0 4.4628e+1 # -Range: 0-200 HI(g) - HI = + 1.0000 H+ + 1.0000 I- - log_k 9.3944 - -delta_H -83.4024 kJ/mol # Calculated enthalpy of reaction HI(g) + HI = H+ + I- + log_k 9.3944 + -delta_H -83.4024 kJ/mol # Calculated enthalpy of reaction HI(g) # Enthalpy of formation: 26.5 kJ/mol - -analytic 5.8250e-003 -8.7146e-003 3.5728e+003 0.0000e+000 0.0000e+000 + -analytic 5.825e-3 -8.7146e-3 3.5728e+3 0e+0 0e+0 # -Range: 0-200 He(g) - He = + 1.0000 He - log_k -3.4143 - -delta_H -0.6276 kJ/mol # Calculated enthalpy of reaction He(g) + He = He + log_k -3.4143 + -delta_H -0.6276 kJ/mol # Calculated enthalpy of reaction He(g) # Enthalpy of formation: 0 kcal/mol - -analytic -1.3402e+001 4.6358e-003 1.8295e+002 2.8070e+000 9.3373e+004 + -analytic -1.3402e+1 4.6358e-3 1.8295e+2 2.807e+0 9.3373e+4 # -Range: 0-300 Hf(g) - Hf +4.0000 H+ +1.0000 O2 = + 1.0000 Hf++++ + 2.0000 H2O - log_k 290.9782 - -delta_H 0 # Not possible to calculate enthalpy of reaction Hf(g) + Hf + 4 H+ + O2 = Hf+4 + 2 H2O + log_k 290.9782 + -delta_H 0 # Not possible to calculate enthalpy of reaction Hf(g) # Enthalpy of formation: 0 kJ/mol Hg(g) - Hg +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Hg++ - log_k 19.7290 - -delta_H -170.988 kJ/mol # Calculated enthalpy of reaction Hg(g) + Hg + 2 H+ + 0.5 O2 = H2O + Hg+2 + log_k 19.729 + -delta_H -170.988 kJ/mol # Calculated enthalpy of reaction Hg(g) # Enthalpy of formation: 61.38 kJ/mol - -analytic -1.6232e+001 -3.2863e-003 8.9831e+003 2.7505e+000 1.5255e+002 + -analytic -1.6232e+1 -3.2863e-3 8.9831e+3 2.7505e+0 1.5255e+2 # -Range: 0-200 I2(g) - I2 +1.0000 H2O = + 0.5000 O2 + 2.0000 H+ + 2.0000 I- - log_k -21.4231 - -delta_H 103.547 kJ/mol # Calculated enthalpy of reaction I2(g) + I2 + H2O = 0.5 O2 + 2 H+ + 2 I- + log_k -21.4231 + -delta_H 103.547 kJ/mol # Calculated enthalpy of reaction I2(g) # Enthalpy of formation: 62.42 kJ/mol - -analytic -2.0271e+001 -2.1890e-002 -6.0267e+003 1.0339e+001 -1.0233e+002 + -analytic -2.0271e+1 -2.189e-2 -6.0267e+3 1.0339e+1 -1.0233e+2 # -Range: 0-200 K(g) - K +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 K+ - log_k 81.5815 - -delta_H -481.055 kJ/mol # Calculated enthalpy of reaction K(g) + K + H+ + 0.25 O2 = 0.5 H2O + K+ + log_k 81.5815 + -delta_H -481.055 kJ/mol # Calculated enthalpy of reaction K(g) # Enthalpy of formation: 89 kJ/mol - -analytic 1.0278e+001 3.0700e-003 2.4729e+004 -5.0763e+000 4.1994e+002 + -analytic 1.0278e+1 3.07e-3 2.4729e+4 -5.0763e+0 4.1994e+2 # -Range: 0-200 Kr(g) - Kr = + 1.0000 Kr - log_k -2.6051 - -delta_H -15.2716 kJ/mol # Calculated enthalpy of reaction Kr(g) + Kr = Kr + log_k -2.6051 + -delta_H -15.2716 kJ/mol # Calculated enthalpy of reaction Kr(g) # Enthalpy of formation: 0 kcal/mol - -analytic -2.1251e+001 4.8308e-003 4.2971e+002 5.3591e+000 2.2304e+005 + -analytic -2.1251e+1 4.8308e-3 4.2971e+2 5.3591e+0 2.2304e+5 # -Range: 0-300 Li(g) - Li +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Li+ - log_k 94.9423 - -delta_H -577.639 kJ/mol # Calculated enthalpy of reaction Li(g) + Li + H+ + 0.25 O2 = 0.5 H2O + Li+ + log_k 94.9423 + -delta_H -577.639 kJ/mol # Calculated enthalpy of reaction Li(g) # Enthalpy of formation: 159.3 kJ/mol - -analytic -2.5692e+001 -1.4385e-003 3.0936e+004 6.9899e+000 5.2535e+002 + -analytic -2.5692e+1 -1.4385e-3 3.0936e+4 6.9899e+0 5.2535e+2 # -Range: 0-200 Mg(g) - Mg +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Mg++ - log_k 142.2494 - -delta_H -892.831 kJ/mol # Calculated enthalpy of reaction Mg(g) + Mg + 2 H+ + 0.5 O2 = H2O + Mg+2 + log_k 142.2494 + -delta_H -892.831 kJ/mol # Calculated enthalpy of reaction Mg(g) # Enthalpy of formation: 147.1 kJ/mol - -analytic -1.3470e+000 -7.7402e-004 4.5992e+004 -4.2207e+000 7.8101e+002 + -analytic -1.347e+0 -7.7402e-4 4.5992e+4 -4.2207e+0 7.8101e+2 # -Range: 0-200 N2(g) -# N2 +3.0000 H2O = + 1.5000 O2 + 2.0000 NH3 +# N2 +3.0000 H2O = + 1.5000 O2 + 2.0000 NH3 # log_k -119.6473 # -analytic 2.4168e+001 1.6489e-002 -3.6869e+004 -1.1181e+001 2.3178e+005 # -Range: 0-300 N2 = N2 - log_k -3.1864 - -delta_H -10.4391 kJ/mol # Calculated enthalpy of reaction N2(g) + log_k -3.1864 + -delta_H -10.4391 kJ/mol # Calculated enthalpy of reaction N2(g) # Enthalpy of formation: 0 kcal/mol - -analytic -7.6452e+000 7.9606e-003 0.0000e+000 0.0000e+000 1.8604e+005 + -analytic -7.6452e+0 7.9606e-3 0e+0 0e+0 1.8604e+5 # -Range: 0-300 NH3(g) - NH3 = + 1.0000 NH3 - log_k 1.7966 - -delta_H -35.2251 kJ/mol # Calculated enthalpy of reaction NH3(g) + NH3 = NH3 + log_k 1.7966 + -delta_H -35.2251 kJ/mol # Calculated enthalpy of reaction NH3(g) # Enthalpy of formation: -11.021 kcal/mol - -analytic -1.8758e+001 3.3670e-004 2.5113e+003 4.8619e+000 3.9192e+001 + -analytic -1.8758e+1 3.367e-4 2.5113e+3 4.8619e+0 3.9192e+1 # -Range: 0-300 NO(g) - NO +0.5000 H2O +0.2500 O2 = + 1.0000 H+ + 1.0000 NO2- - log_k 0.7554 - -delta_H -48.8884 kJ/mol # Calculated enthalpy of reaction NO(g) + NO + 0.5 H2O + 0.25 O2 = H+ + NO2- + log_k 0.7554 + -delta_H -48.8884 kJ/mol # Calculated enthalpy of reaction NO(g) # Enthalpy of formation: 90.241 kJ/mol - -analytic 8.2147e+000 -1.2708e-001 -6.0593e+003 2.0504e+001 -9.4551e+001 + -analytic 8.2147e+0 -1.2708e-1 -6.0593e+3 2.0504e+1 -9.4551e+1 # -Range: 0-300 NO2(g) - NO2 +0.5000 H2O +0.2500 O2 = + 1.0000 H+ + 1.0000 NO3- - log_k 8.3673 - -delta_H -94.0124 kJ/mol # Calculated enthalpy of reaction NO2(g) + NO2 + 0.5 H2O + 0.25 O2 = H+ + NO3- + log_k 8.3673 + -delta_H -94.0124 kJ/mol # Calculated enthalpy of reaction NO2(g) # Enthalpy of formation: 33.154 kJ/mol - -analytic 9.4389e+001 -2.7511e-001 -1.6783e+004 2.1127e+001 -2.6191e+002 + -analytic 9.4389e+1 -2.7511e-1 -1.6783e+4 2.1127e+1 -2.6191e+2 # -Range: 0-300 Na(g) - Na +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Na+ - log_k 80.8640 - -delta_H -487.685 kJ/mol # Calculated enthalpy of reaction Na(g) + Na + H+ + 0.25 O2 = 0.5 H2O + Na+ + log_k 80.864 + -delta_H -487.685 kJ/mol # Calculated enthalpy of reaction Na(g) # Enthalpy of formation: 107.5 kJ/mol - -analytic -6.0156e+000 2.4712e-003 2.5682e+004 0.0000e+000 0.0000e+000 + -analytic -6.0156e+0 2.4712e-3 2.5682e+4 0e+0 0e+0 # -Range: 0-200 Ne(g) - Ne = + 1.0000 Ne - log_k -3.3462 - -delta_H -3.64008 kJ/mol # Calculated enthalpy of reaction Ne(g) + Ne = Ne + log_k -3.3462 + -delta_H -3.64008 kJ/mol # Calculated enthalpy of reaction Ne(g) # Enthalpy of formation: 0 kcal/mol - -analytic -6.5169e+000 6.3991e-003 0.0000e+000 0.0000e+000 1.1271e+005 + -analytic -6.5169e+0 6.3991e-3 0e+0 0e+0 1.1271e+5 # -Range: 0-300 O2(g) - O2 = + 1.0000 O2 - log_k -2.8983 - -delta_H -12.1336 kJ/mol # Calculated enthalpy of reaction O2(g) + O2 = O2 + log_k -2.8983 + -delta_H -12.1336 kJ/mol # Calculated enthalpy of reaction O2(g) # Enthalpy of formation: 0 kcal/mol - -analytic -7.5001e+000 7.8981e-003 0.0000e+000 0.0000e+000 2.0027e+005 + -analytic -7.5001e+0 7.8981e-3 0e+0 0e+0 2.0027e+5 # -Range: 0-300 Pb(g) - Pb +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Pb++ - log_k 75.6090 - -delta_H -474.051 kJ/mol # Calculated enthalpy of reaction Pb(g) + Pb + 2 H+ + 0.5 O2 = H2O + Pb+2 + log_k 75.609 + -delta_H -474.051 kJ/mol # Calculated enthalpy of reaction Pb(g) # Enthalpy of formation: 195.2 kJ/mol - -analytic 2.5752e+001 2.1307e-003 2.3397e+004 -1.1825e+001 3.9730e+002 + -analytic 2.5752e+1 2.1307e-3 2.3397e+4 -1.1825e+1 3.973e+2 # -Range: 0-200 Rb(g) - Rb +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Rb+ - log_k 80.4976 - -delta_H -471.909 kJ/mol # Calculated enthalpy of reaction Rb(g) + Rb + H+ + 0.25 O2 = 0.5 H2O + Rb+ + log_k 80.4976 + -delta_H -471.909 kJ/mol # Calculated enthalpy of reaction Rb(g) # Enthalpy of formation: 80.9 kJ/mol - -analytic 2.6839e+001 5.9775e-003 2.3720e+004 -1.1189e+001 4.0279e+002 + -analytic 2.6839e+1 5.9775e-3 2.372e+4 -1.1189e+1 4.0279e+2 # -Range: 0-200 Rn(g) - Rn = + 1.0000 Rn - log_k -2.0451 - -delta_H -20.92 kJ/mol # Calculated enthalpy of reaction Rn(g) + Rn = Rn + log_k -2.0451 + -delta_H -20.92 kJ/mol # Calculated enthalpy of reaction Rn(g) # Enthalpy of formation: 0 kcal/mol - -analytic -3.0258e+001 4.9893e-003 1.4118e+002 8.8798e+000 3.8095e+005 + -analytic -3.0258e+1 4.9893e-3 1.4118e+2 8.8798e+0 3.8095e+5 # -Range: 0-300 RuCl3(g) - RuCl3 = + 1.0000 Ru+++ + 3.0000 Cl- - log_k 41.5503 - -delta_H 0 # Not possible to calculate enthalpy of reaction RuCl3(g) + RuCl3 = Ru+3 + 3 Cl- + log_k 41.5503 + -delta_H 0 # Not possible to calculate enthalpy of reaction RuCl3(g) # Enthalpy of formation: 16.84 kJ/mol RuO3(g) - RuO3 +1.0000 H2O = + 1.0000 RuO4-- + 2.0000 H+ - log_k 2.3859 - -delta_H -100.369 kJ/mol # Calculated enthalpy of reaction RuO3(g) + RuO3 + H2O = RuO4-2 + 2 H+ + log_k 2.3859 + -delta_H -100.369 kJ/mol # Calculated enthalpy of reaction RuO3(g) # Enthalpy of formation: -70.868 kJ/mol - -analytic 1.1106e+002 1.7191e-002 6.8526e+002 -4.6922e+001 1.1598e+001 + -analytic 1.1106e+2 1.7191e-2 6.8526e+2 -4.6922e+1 1.1598e+1 # -Range: 0-200 S2(g) - S2 +2.0000 H2O = + 0.5000 SO4-- + 1.5000 HS- + 2.5000 H+ - log_k -7.1449 - -delta_H -35.656 kJ/mol # Calculated enthalpy of reaction S2(g) + S2 + 2 H2O = 0.5 SO4-2 + 1.5 HS- + 2.5 H+ + log_k -7.1449 + -delta_H -35.656 kJ/mol # Calculated enthalpy of reaction S2(g) # Enthalpy of formation: 30.681 kcal/mol - -analytic -1.8815e+002 -7.7069e-002 4.8816e+003 7.5802e+001 7.6228e+001 + -analytic -1.8815e+2 -7.7069e-2 4.8816e+3 7.5802e+1 7.6228e+1 # -Range: 0-300 SO2(g) SO2 = SO2 - log_k 0.1700 - -delta_H 0 # Not possible to calculate enthalpy of reaction SO2(g) + log_k 0.17 + -delta_H 0 # Not possible to calculate enthalpy of reaction SO2(g) # Enthalpy of formation: 0 kcal/mol - -analytic -2.0205e+001 2.8861e-003 1.4862e+003 5.2958e+000 1.2721e+005 + -analytic -2.0205e+1 2.8861e-3 1.4862e+3 5.2958e+0 1.2721e+5 # -Range: 0-300 Si(g) - Si +1.0000 O2 = + 1.0000 SiO2 - log_k 219.9509 - -delta_H -1315.57 kJ/mol # Calculated enthalpy of reaction Si(g) + Si + O2 = SiO2 + log_k 219.9509 + -delta_H -1315.57 kJ/mol # Calculated enthalpy of reaction Si(g) # Enthalpy of formation: 450 kJ/mol - -analytic 4.1998e+002 8.0113e-002 5.4468e+004 -1.6433e+002 9.2480e+002 + -analytic 4.1998e+2 8.0113e-2 5.4468e+4 -1.6433e+2 9.248e+2 # -Range: 0-200 SiF4(g) - SiF4 +2.0000 H2O = + 1.0000 SiO2 + 4.0000 F- + 4.0000 H+ - log_k -15.1931 - -delta_H -32.4123 kJ/mol # Calculated enthalpy of reaction SiF4(g) + SiF4 + 2 H2O = SiO2 + 4 F- + 4 H+ + log_k -15.1931 + -delta_H -32.4123 kJ/mol # Calculated enthalpy of reaction SiF4(g) # Enthalpy of formation: -1615 kJ/mol - -analytic 3.4941e+002 3.3668e-002 -1.2780e+004 -1.3410e+002 -2.1714e+002 + -analytic 3.4941e+2 3.3668e-2 -1.278e+4 -1.341e+2 -2.1714e+2 # -Range: 0-200 Sn(g) - Sn +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Sn++ - log_k 94.5019 - -delta_H -589.758 kJ/mol # Calculated enthalpy of reaction Sn(g) + Sn + 2 H+ + 0.5 O2 = H2O + Sn+2 + log_k 94.5019 + -delta_H -589.758 kJ/mol # Calculated enthalpy of reaction Sn(g) # Enthalpy of formation: 301.2 kJ/mol - -analytic 1.4875e+001 -5.6877e-005 2.9728e+004 -8.1131e+000 5.0482e+002 + -analytic 1.4875e+1 -5.6877e-5 2.9728e+4 -8.1131e+0 5.0482e+2 # -Range: 0-200 Tc2O7(g) - Tc2O7 +1.0000 H2O = + 2.0000 H+ + 2.0000 TcO4- - log_k 21.3593 - -delta_H -158.131 kJ/mol # Calculated enthalpy of reaction Tc2O7(g) + Tc2O7 + H2O = 2 H+ + 2 TcO4- + log_k 21.3593 + -delta_H -158.131 kJ/mol # Calculated enthalpy of reaction Tc2O7(g) # Enthalpy of formation: -988.569 kJ/mol - -analytic 7.4140e+001 1.5668e-002 5.6360e+003 -3.0860e+001 9.5682e+001 + -analytic 7.414e+1 1.5668e-2 5.636e+3 -3.086e+1 9.5682e+1 # -Range: 0-200 Th(g) - Th +4.0000 H+ +1.0000 O2 = + 1.0000 Th++++ + 2.0000 H2O - log_k 307.8413 - -delta_H -1930.56 kJ/mol # Calculated enthalpy of reaction Th(g) + Th + 4 H+ + O2 = Th+4 + 2 H2O + log_k 307.8413 + -delta_H -1930.56 kJ/mol # Calculated enthalpy of reaction Th(g) # Enthalpy of formation: 602 kJ/mol - -analytic 1.8496e+001 2.7318e-003 9.8807e+004 -1.7332e+001 1.6779e+003 + -analytic 1.8496e+1 2.7318e-3 9.8807e+4 -1.7332e+1 1.6779e+3 # -Range: 0-200 Ti(g) - Ti +2.0000 H2O +1.0000 O2 = + 1.0000 Ti(OH)4 - log_k 224.3510 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ti(g) + Ti + 2 H2O + O2 = Ti(OH)4 + log_k 224.351 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ti(g) # Enthalpy of formation: 473 kJ/mol TiBr4(g) - TiBr4 +4.0000 H2O = + 1.0000 Ti(OH)4 + 4.0000 Br- + 4.0000 H+ - log_k 36.6695 - -delta_H 0 # Not possible to calculate enthalpy of reaction TiBr4(g) + TiBr4 + 4 H2O = Ti(OH)4 + 4 Br- + 4 H+ + log_k 36.6695 + -delta_H 0 # Not possible to calculate enthalpy of reaction TiBr4(g) # Enthalpy of formation: -549.339 kJ/mol TiCl4(g) - TiCl4 +4.0000 H2O = + 1.0000 Ti(OH)4 + 4.0000 Cl- + 4.0000 H+ - log_k 28.0518 - -delta_H 0 # Not possible to calculate enthalpy of reaction TiCl4(g) + TiCl4 + 4 H2O = Ti(OH)4 + 4 Cl- + 4 H+ + log_k 28.0518 + -delta_H 0 # Not possible to calculate enthalpy of reaction TiCl4(g) # Enthalpy of formation: -763.2 kJ/mol TiO(g) - TiO +2.0000 H2O +0.5000 O2 = + 1.0000 Ti(OH)4 - log_k 145.5711 - -delta_H 0 # Not possible to calculate enthalpy of reaction TiO(g) + TiO + 2 H2O + 0.5 O2 = Ti(OH)4 + log_k 145.5711 + -delta_H 0 # Not possible to calculate enthalpy of reaction TiO(g) # Enthalpy of formation: 17.144 kJ/mol U(g) - U +2.0000 H+ +1.5000 O2 = + 1.0000 H2O + 1.0000 UO2++ - log_k 298.3441 - -delta_H -1819.64 kJ/mol # Calculated enthalpy of reaction U(g) + U + 2 H+ + 1.5 O2 = H2O + UO2+2 + log_k 298.3441 + -delta_H -1819.64 kJ/mol # Calculated enthalpy of reaction U(g) # Enthalpy of formation: 533 kJ/mol - -analytic 3.7536e+001 -6.3804e-003 9.2048e+004 -1.8614e+001 1.4363e+003 + -analytic 3.7536e+1 -6.3804e-3 9.2048e+4 -1.8614e+1 1.4363e+3 # -Range: 0-300 U2Cl10(g) - U2Cl10 +4.0000 H2O = + 2.0000 UO2+ + 8.0000 H+ + 10.0000 Cl- - log_k 82.7621 - -delta_H -609.798 kJ/mol # Calculated enthalpy of reaction U2Cl10(g) + U2Cl10 + 4 H2O = 2 UO2+ + 8 H+ + 10 Cl- + log_k 82.7621 + -delta_H -609.798 kJ/mol # Calculated enthalpy of reaction U2Cl10(g) # Enthalpy of formation: -1967.9 kJ/mol - -analytic -7.5513e+002 -3.0070e-001 4.5824e+004 3.1267e+002 7.1526e+002 + -analytic -7.5513e+2 -3.007e-1 4.5824e+4 3.1267e+2 7.1526e+2 # -Range: 0-300 U2Cl8(g) - U2Cl8 = + 2.0000 U++++ + 8.0000 Cl- - log_k 82.4059 - -delta_H -769.437 kJ/mol # Calculated enthalpy of reaction U2Cl8(g) + U2Cl8 = 2 U+4 + 8 Cl- + log_k 82.4059 + -delta_H -769.437 kJ/mol # Calculated enthalpy of reaction U2Cl8(g) # Enthalpy of formation: -1749.6 kJ/mol - -analytic -7.4441e+002 -2.6943e-001 5.4358e+004 2.9287e+002 8.4843e+002 + -analytic -7.4441e+2 -2.6943e-1 5.4358e+4 2.9287e+2 8.4843e+2 # -Range: 0-300 U2F10(g) - U2F10 +4.0000 H2O = + 2.0000 UO2+ + 8.0000 H+ + 10.0000 F- - log_k -12.2888 - -delta_H -239.377 kJ/mol # Calculated enthalpy of reaction U2F10(g) + U2F10 + 4 H2O = 2 UO2+ + 8 H+ + 10 F- + log_k -12.2888 + -delta_H -239.377 kJ/mol # Calculated enthalpy of reaction U2F10(g) # Enthalpy of formation: -4021 kJ/mol - -analytic -9.1542e+002 -3.2040e-001 3.1047e+004 3.6143e+002 4.8473e+002 + -analytic -9.1542e+2 -3.204e-1 3.1047e+4 3.6143e+2 4.8473e+2 # -Range: 0-300 UBr(g) - UBr +1.0000 O2 = + 1.0000 Br- + 1.0000 UO2+ - log_k 224.8412 - -delta_H -1381.5 kJ/mol # Calculated enthalpy of reaction UBr(g) + UBr + O2 = Br- + UO2+ + log_k 224.8412 + -delta_H -1381.5 kJ/mol # Calculated enthalpy of reaction UBr(g) # Enthalpy of formation: 247 kJ/mol - -analytic -3.1193e+002 -6.3059e-002 8.7633e+004 1.1032e+002 -1.0104e+006 + -analytic -3.1193e+2 -6.3059e-2 8.7633e+4 1.1032e+2 -1.0104e+6 # -Range: 0-300 UBr2(g) - UBr2 +1.0000 O2 = + 1.0000 UO2++ + 2.0000 Br- - log_k 192.6278 - -delta_H -1218.87 kJ/mol # Calculated enthalpy of reaction UBr2(g) + UBr2 + O2 = UO2+2 + 2 Br- + log_k 192.6278 + -delta_H -1218.87 kJ/mol # Calculated enthalpy of reaction UBr2(g) # Enthalpy of formation: -31 kJ/mol - -analytic -1.2277e+002 -6.4613e-002 6.4196e+004 4.8209e+001 1.0018e+003 + -analytic -1.2277e+2 -6.4613e-2 6.4196e+4 4.8209e+1 1.0018e+3 # -Range: 0-300 UBr3(g) - UBr3 = + 1.0000 U+++ + 3.0000 Br- - log_k 67.8918 - -delta_H -489.61 kJ/mol # Calculated enthalpy of reaction UBr3(g) + UBr3 = U+3 + 3 Br- + log_k 67.8918 + -delta_H -489.61 kJ/mol # Calculated enthalpy of reaction UBr3(g) # Enthalpy of formation: -364 kJ/mol - -analytic -2.5784e+002 -9.7583e-002 3.0225e+004 1.0240e+002 4.7171e+002 + -analytic -2.5784e+2 -9.7583e-2 3.0225e+4 1.024e+2 4.7171e+2 # -Range: 0-300 UBr4(g) - UBr4 = + 1.0000 U++++ + 4.0000 Br- - log_k 54.2926 - -delta_H -467.113 kJ/mol # Calculated enthalpy of reaction UBr4(g) + UBr4 = U+4 + 4 Br- + log_k 54.2926 + -delta_H -467.113 kJ/mol # Calculated enthalpy of reaction UBr4(g) # Enthalpy of formation: -610.1 kJ/mol - -analytic -3.5205e+002 -1.2867e-001 3.0898e+004 1.3781e+002 4.8223e+002 + -analytic -3.5205e+2 -1.2867e-1 3.0898e+4 1.3781e+2 4.8223e+2 # -Range: 0-300 UBr5(g) - UBr5 +2.0000 H2O = + 1.0000 UO2+ + 4.0000 H+ + 5.0000 Br- - log_k 61.4272 - -delta_H -423.222 kJ/mol # Calculated enthalpy of reaction UBr5(g) + UBr5 + 2 H2O = UO2+ + 4 H+ + 5 Br- + log_k 61.4272 + -delta_H -423.222 kJ/mol # Calculated enthalpy of reaction UBr5(g) # Enthalpy of formation: -637.745 kJ/mol - -analytic -3.4693e+002 -1.4298e-001 2.8151e+004 1.4406e+002 4.3938e+002 + -analytic -3.4693e+2 -1.4298e-1 2.8151e+4 1.4406e+2 4.3938e+2 # -Range: 0-300 UCl(g) - UCl +1.0000 O2 = + 1.0000 Cl- + 1.0000 UO2+ - log_k 221.7887 - -delta_H -1368.27 kJ/mol # Calculated enthalpy of reaction UCl(g) + UCl + O2 = Cl- + UO2+ + log_k 221.7887 + -delta_H -1368.27 kJ/mol # Calculated enthalpy of reaction UCl(g) # Enthalpy of formation: 188.2 kJ/mol - -analytic -4.1941e+001 -2.7879e-002 7.0800e+004 1.3954e+001 1.1048e+003 + -analytic -4.1941e+1 -2.7879e-2 7.08e+4 1.3954e+1 1.1048e+3 # -Range: 0-300 UCl2(g) - UCl2 +1.0000 O2 = + 1.0000 UO2++ + 2.0000 Cl- - log_k 183.7912 - -delta_H -1178.03 kJ/mol # Calculated enthalpy of reaction UCl2(g) + UCl2 + O2 = UO2+2 + 2 Cl- + log_k 183.7912 + -delta_H -1178.03 kJ/mol # Calculated enthalpy of reaction UCl2(g) # Enthalpy of formation: -163 kJ/mol - -analytic -1.3677e+002 -6.7829e-002 6.2413e+004 5.3100e+001 9.7394e+002 + -analytic -1.3677e+2 -6.7829e-2 6.2413e+4 5.31e+1 9.7394e+2 # -Range: 0-300 UCl3(g) - UCl3 = + 1.0000 U+++ + 3.0000 Cl- - log_k 58.6335 - -delta_H -453.239 kJ/mol # Calculated enthalpy of reaction UCl3(g) + UCl3 = U+3 + 3 Cl- + log_k 58.6335 + -delta_H -453.239 kJ/mol # Calculated enthalpy of reaction UCl3(g) # Enthalpy of formation: -537.1 kJ/mol - -analytic -2.7942e+002 -1.0243e-001 2.8859e+004 1.0982e+002 4.5040e+002 + -analytic -2.7942e+2 -1.0243e-1 2.8859e+4 1.0982e+2 4.504e+2 # -Range: 0-300 UCl4(g) - UCl4 = + 1.0000 U++++ + 4.0000 Cl- - log_k 46.3988 - -delta_H -441.419 kJ/mol # Calculated enthalpy of reaction UCl4(g) + UCl4 = U+4 + 4 Cl- + log_k 46.3988 + -delta_H -441.419 kJ/mol # Calculated enthalpy of reaction UCl4(g) # Enthalpy of formation: -818.1 kJ/mol - -analytic -3.7971e+002 -1.3504e-001 3.0243e+004 1.4746e+002 4.7202e+002 + -analytic -3.7971e+2 -1.3504e-1 3.0243e+4 1.4746e+2 4.7202e+2 # -Range: 0-300 UCl5(g) - UCl5 +2.0000 H2O = + 1.0000 UO2+ + 4.0000 H+ + 5.0000 Cl- - log_k 54.5311 - -delta_H -406.349 kJ/mol # Calculated enthalpy of reaction UCl5(g) + UCl5 + 2 H2O = UO2+ + 4 H+ + 5 Cl- + log_k 54.5311 + -delta_H -406.349 kJ/mol # Calculated enthalpy of reaction UCl5(g) # Enthalpy of formation: -882.5 kJ/mol - -analytic -3.8234e+002 -1.5109e-001 2.8170e+004 1.5654e+002 4.3968e+002 + -analytic -3.8234e+2 -1.5109e-1 2.817e+4 1.5654e+2 4.3968e+2 # -Range: 0-300 UCl6(g) - UCl6 +2.0000 H2O = + 1.0000 UO2++ + 4.0000 H+ + 6.0000 Cl- - log_k 63.4791 - -delta_H -462.301 kJ/mol # Calculated enthalpy of reaction UCl6(g) + UCl6 + 2 H2O = UO2+2 + 4 H+ + 6 Cl- + log_k 63.4791 + -delta_H -462.301 kJ/mol # Calculated enthalpy of reaction UCl6(g) # Enthalpy of formation: -987.5 kJ/mol - -analytic -4.7128e+002 -1.9133e-001 3.2528e+004 1.9503e+002 5.0771e+002 + -analytic -4.7128e+2 -1.9133e-1 3.2528e+4 1.9503e+2 5.0771e+2 # -Range: 0-300 UF(g) - UF +1.0000 O2 = + 1.0000 F- + 1.0000 UO2+ - log_k 206.2684 - -delta_H -1296.34 kJ/mol # Calculated enthalpy of reaction UF(g) + UF + O2 = F- + UO2+ + log_k 206.2684 + -delta_H -1296.34 kJ/mol # Calculated enthalpy of reaction UF(g) # Enthalpy of formation: -52 kJ/mol - -analytic -6.1248e+001 -3.0360e-002 6.7619e+004 2.0095e+001 1.0551e+003 + -analytic -6.1248e+1 -3.036e-2 6.7619e+4 2.0095e+1 1.0551e+3 # -Range: 0-300 UF2(g) - UF2 +1.0000 O2 = + 1.0000 UO2++ + 2.0000 F- - log_k 172.3563 - -delta_H -1147.56 kJ/mol # Calculated enthalpy of reaction UF2(g) + UF2 + O2 = UO2+2 + 2 F- + log_k 172.3563 + -delta_H -1147.56 kJ/mol # Calculated enthalpy of reaction UF2(g) # Enthalpy of formation: -530 kJ/mol - -analytic -4.3462e+002 -1.0881e-001 7.6778e+004 1.5835e+002 -8.8536e+005 + -analytic -4.3462e+2 -1.0881e-1 7.6778e+4 1.5835e+2 -8.8536e+5 # -Range: 0-300 UF3(g) - UF3 = + 1.0000 U+++ + 3.0000 F- - log_k 47.2334 - -delta_H -440.943 kJ/mol # Calculated enthalpy of reaction UF3(g) + UF3 = U+3 + 3 F- + log_k 47.2334 + -delta_H -440.943 kJ/mol # Calculated enthalpy of reaction UF3(g) # Enthalpy of formation: -1054.2 kJ/mol - -analytic -3.3058e+002 -1.0866e-001 2.9694e+004 1.2551e+002 4.6344e+002 + -analytic -3.3058e+2 -1.0866e-1 2.9694e+4 1.2551e+2 4.6344e+2 # -Range: 0-300 UF4(g) - UF4 = + 1.0000 U++++ + 4.0000 F- - log_k 14.5980 - -delta_H -331.39 kJ/mol # Calculated enthalpy of reaction UF4(g) + UF4 = U+4 + 4 F- + log_k 14.598 + -delta_H -331.39 kJ/mol # Calculated enthalpy of reaction UF4(g) # Enthalpy of formation: -1601.2 kJ/mol - -analytic -4.4692e+002 -1.4314e-001 2.6427e+004 1.6791e+002 4.1250e+002 + -analytic -4.4692e+2 -1.4314e-1 2.6427e+4 1.6791e+2 4.125e+2 # -Range: 0-300 UF5(g) - UF5 +2.0000 H2O = + 1.0000 UO2+ + 4.0000 H+ + 5.0000 F- - log_k 6.3801 - -delta_H -220.188 kJ/mol # Calculated enthalpy of reaction UF5(g) + UF5 + 2 H2O = UO2+ + 4 H+ + 5 F- + log_k 6.3801 + -delta_H -220.188 kJ/mol # Calculated enthalpy of reaction UF5(g) # Enthalpy of formation: -1910 kJ/mol - -analytic -4.6981e+002 -1.6177e-001 2.0986e+004 1.8345e+002 3.2760e+002 + -analytic -4.6981e+2 -1.6177e-1 2.0986e+4 1.8345e+2 3.276e+2 # -Range: 0-300 UF6(g) - UF6 +2.0000 H2O = + 1.0000 UO2++ + 4.0000 H+ + 6.0000 F- - log_k 18.2536 - -delta_H -310.809 kJ/mol # Calculated enthalpy of reaction UF6(g) + UF6 + 2 H2O = UO2+2 + 4 H+ + 6 F- + log_k 18.2536 + -delta_H -310.809 kJ/mol # Calculated enthalpy of reaction UF6(g) # Enthalpy of formation: -2148.6 kJ/mol - -analytic -5.7661e+002 -2.0409e-001 2.7680e+004 2.2743e+002 4.3209e+002 + -analytic -5.7661e+2 -2.0409e-1 2.768e+4 2.2743e+2 4.3209e+2 # -Range: 0-300 UI(g) - UI +1.0000 O2 = + 1.0000 I- + 1.0000 UO2+ - log_k 230.8161 - -delta_H -1410.9 kJ/mol # Calculated enthalpy of reaction UI(g) + UI + O2 = I- + UO2+ + log_k 230.8161 + -delta_H -1410.9 kJ/mol # Calculated enthalpy of reaction UI(g) # Enthalpy of formation: 341 kJ/mol - -analytic -3.5819e+001 -2.6631e-002 7.2899e+004 1.2133e+001 1.1375e+003 + -analytic -3.5819e+1 -2.6631e-2 7.2899e+4 1.2133e+1 1.1375e+3 # -Range: 0-300 UI2(g) - UI2 +1.0000 O2 = + 1.0000 UO2++ + 2.0000 I- - log_k 194.5395 - -delta_H -1220.67 kJ/mol # Calculated enthalpy of reaction UI2(g) + UI2 + O2 = UO2+2 + 2 I- + log_k 194.5395 + -delta_H -1220.67 kJ/mol # Calculated enthalpy of reaction UI2(g) # Enthalpy of formation: 100 kJ/mol - -analytic -3.3543e+002 -9.5116e-002 7.6218e+004 1.2543e+002 -6.8683e+005 + -analytic -3.3543e+2 -9.5116e-2 7.6218e+4 1.2543e+2 -6.8683e+5 # -Range: 0-300 UI3(g) - UI3 = + 1.0000 U+++ + 3.0000 I- - log_k 75.6033 - -delta_H -519.807 kJ/mol # Calculated enthalpy of reaction UI3(g) + UI3 = U+3 + 3 I- + log_k 75.6033 + -delta_H -519.807 kJ/mol # Calculated enthalpy of reaction UI3(g) # Enthalpy of formation: -140 kJ/mol - -analytic -2.6095e+002 -9.8782e-002 3.1972e+004 1.0456e+002 4.9897e+002 + -analytic -2.6095e+2 -9.8782e-2 3.1972e+4 1.0456e+2 4.9897e+2 # -Range: 0-300 UI4(g) - UI4 = + 1.0000 U++++ + 4.0000 I- - log_k 64.3272 - -delta_H -510.01 kJ/mol # Calculated enthalpy of reaction UI4(g) + UI4 = U+4 + 4 I- + log_k 64.3272 + -delta_H -510.01 kJ/mol # Calculated enthalpy of reaction UI4(g) # Enthalpy of formation: -308.8 kJ/mol - -analytic -3.5645e+002 -1.3022e-001 3.3347e+004 1.4051e+002 5.2046e+002 + -analytic -3.5645e+2 -1.3022e-1 3.3347e+4 1.4051e+2 5.2046e+2 # -Range: 0-300 UO(g) - UO +2.0000 H+ +1.0000 O2 = + 1.0000 H2O + 1.0000 UO2++ - log_k 211.6585 - -delta_H -1323.2 kJ/mol # Calculated enthalpy of reaction UO(g) + UO + 2 H+ + O2 = H2O + UO2+2 + log_k 211.6585 + -delta_H -1323.2 kJ/mol # Calculated enthalpy of reaction UO(g) # Enthalpy of formation: 30.5 kJ/mol - -analytic -1.8007e+002 -3.1985e-002 7.8469e+004 5.8892e+001 -6.8071e+005 + -analytic -1.8007e+2 -3.1985e-2 7.8469e+4 5.8892e+1 -6.8071e+5 # -Range: 0-300 UO2(g) - UO2 +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 UO2++ - log_k 125.6027 - -delta_H -820.972 kJ/mol # Calculated enthalpy of reaction UO2(g) + UO2 + 2 H+ + 0.5 O2 = H2O + UO2+2 + log_k 125.6027 + -delta_H -820.972 kJ/mol # Calculated enthalpy of reaction UO2(g) # Enthalpy of formation: -477.8 kJ/mol - -analytic -5.2789e+000 -3.5754e-003 4.2074e+004 -3.7117e+000 6.5653e+002 + -analytic -5.2789e+0 -3.5754e-3 4.2074e+4 -3.7117e+0 6.5653e+2 # -Range: 0-300 UO2Cl2(g) - UO2Cl2 = + 1.0000 UO2++ + 2.0000 Cl- - log_k 47.9630 - -delta_H -381.559 kJ/mol # Calculated enthalpy of reaction UO2Cl2(g) + UO2Cl2 = UO2+2 + 2 Cl- + log_k 47.963 + -delta_H -381.559 kJ/mol # Calculated enthalpy of reaction UO2Cl2(g) # Enthalpy of formation: -971.6 kJ/mol - -analytic -1.8035e+002 -6.5574e-002 2.3064e+004 6.8894e+001 3.5994e+002 + -analytic -1.8035e+2 -6.5574e-2 2.3064e+4 6.8894e+1 3.5994e+2 # -Range: 0-300 UO2F2(g) - UO2F2 = + 1.0000 UO2++ + 2.0000 F- - log_k 34.6675 - -delta_H -337.195 kJ/mol # Calculated enthalpy of reaction UO2F2(g) + UO2F2 = UO2+2 + 2 F- + log_k 34.6675 + -delta_H -337.195 kJ/mol # Calculated enthalpy of reaction UO2F2(g) # Enthalpy of formation: -1352.5 kJ/mol - -analytic -2.1498e+002 -6.9882e-002 2.1774e+004 7.9780e+001 3.3983e+002 + -analytic -2.1498e+2 -6.9882e-2 2.1774e+4 7.978e+1 3.3983e+2 # -Range: 0-300 UO3(g) - UO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 UO2++ - log_k 70.9480 - -delta_H -505.638 kJ/mol # Calculated enthalpy of reaction UO3(g) + UO3 + 2 H+ = H2O + UO2+2 + log_k 70.948 + -delta_H -505.638 kJ/mol # Calculated enthalpy of reaction UO3(g) # Enthalpy of formation: -799.2 kJ/mol - -analytic -3.2820e+001 -2.6807e-003 2.6914e+004 5.7767e+000 4.1997e+002 + -analytic -3.282e+1 -2.6807e-3 2.6914e+4 5.7767e+0 4.1997e+2 # -Range: 0-300 UOF4(g) - UOF4 +1.0000 H2O = + 1.0000 UO2++ + 2.0000 H+ + 4.0000 F- - log_k 24.2848 - -delta_H -312.552 kJ/mol # Calculated enthalpy of reaction UOF4(g) + UOF4 + H2O = UO2+2 + 2 H+ + 4 F- + log_k 24.2848 + -delta_H -312.552 kJ/mol # Calculated enthalpy of reaction UOF4(g) # Enthalpy of formation: -1762 kJ/mol - -analytic -3.9592e+002 -1.3699e-001 2.4127e+004 1.5359e+002 3.7660e+002 + -analytic -3.9592e+2 -1.3699e-1 2.4127e+4 1.5359e+2 3.766e+2 # -Range: 0-300 Xe(g) - Xe = + 1.0000 Xe - log_k -2.3640 - -delta_H -18.8698 kJ/mol # Calculated enthalpy of reaction Xe(g) + Xe = Xe + log_k -2.364 + -delta_H -18.8698 kJ/mol # Calculated enthalpy of reaction Xe(g) # Enthalpy of formation: 0 kcal/mol - -analytic -2.0636e+001 5.1389e-003 2.0490e+002 5.1913e+000 2.8556e+005 + -analytic -2.0636e+1 5.1389e-3 2.049e+2 5.1913e+0 2.8556e+5 # -Range: 0-300 Zn(g) - Zn +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Zn++ - log_k 85.4140 - -delta_H -563.557 kJ/mol # Calculated enthalpy of reaction Zn(g) + Zn + 2 H+ + 0.5 O2 = H2O + Zn+2 + log_k 85.414 + -delta_H -563.557 kJ/mol # Calculated enthalpy of reaction Zn(g) # Enthalpy of formation: 130.4 kJ/mol - -analytic -1.0898e+001 -3.9871e-003 2.9068e+004 0.0000e+000 0.0000e+000 + -analytic -1.0898e+1 -3.9871e-3 2.9068e+4 0e+0 0e+0 # -Range: 0-200 Zr(g) - Zr +4.0000 H+ +1.0000 O2 = + 1.0000 Zr++++ + 2.0000 H2O - log_k 277.1324 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zr(g) + Zr + 4 H+ + O2 = Zr+4 + 2 H2O + log_k 277.1324 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zr(g) # Enthalpy of formation: 608.948 kJ/mol ZrF4(g) - ZrF4 = + 1.0000 Zr++++ + 4.0000 F- - log_k 142.9515 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF4(g) + ZrF4 = Zr+4 + 4 F- + log_k 142.9515 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF4(g) # Enthalpy of formation: -858.24 kJ/mol EXCHANGE_MASTER_SPECIES - X X- + X X- EXCHANGE_SPECIES X- = X- - log_k 0.0 + log_k 0 Na+ + X- = NaX - log_k 0.0 - -llnl_gamma 4.0 + log_k 0 + -llnl_gamma 4 K+ + X- = KX - log_k 0.7 - -llnl_gamma 3.0 - delta_h -4.3 # Jardine & Sparks, 1984 + log_k 0.7 + -llnl_gamma 3 + delta_h -4.3 # Jardine & Sparks, 1984 Li+ + X- = LiX - log_k -0.08 - -llnl_gamma 6.0 - delta_h 1.4 # Merriam & Thomas, 1956 + log_k -0.08 + -llnl_gamma 6 + delta_h 1.4 # Merriam & Thomas, 1956 NH4+ + X- = NH4X - log_k 0.6 - -llnl_gamma 2.5 - delta_h -2.4 # Laudelout et al., 1968 - - Ca+2 + 2X- = CaX2 - log_k 0.8 - -llnl_gamma 6.0 - delta_h 7.2 # Van Bladel & Gheyl, 1980 - - Mg+2 + 2X- = MgX2 - log_k 0.6 - -llnl_gamma 8.0 - delta_h 7.4 # Laudelout et al., 1968 - - Sr+2 + 2X- = SrX2 - log_k 0.91 - -llnl_gamma 5.0 - delta_h 5.5 # Laudelout et al., 1968 - - Ba+2 + 2X- = BaX2 - log_k 0.91 - -llnl_gamma 5.0 - delta_h 4.5 # Laudelout et al., 1968 - - Mn+2 + 2X- = MnX2 - log_k 0.52 - -llnl_gamma 6.0 - - Fe+2 + 2X- = FeX2 - log_k 0.44 - -llnl_gamma 6.0 - - Cu+2 + 2X- = CuX2 - log_k 0.6 - -llnl_gamma 6.0 - - Zn+2 + 2X- = ZnX2 - log_k 0.8 - -llnl_gamma 6.0 - - Cd+2 + 2X- = CdX2 - log_k 0.8 - -llnl_gamma 5.0 - - Pb+2 + 2X- = PbX2 - log_k 1.05 - -llnl_gamma 4.5 - - Al+3 + 3X- = AlX3 - log_k 0.41 - -llnl_gamma 9.0 - - AlOH+2 + 2X- = AlOHX2 - log_k 0.89 - -llnl_gamma 4.5 + log_k 0.6 + -llnl_gamma 2.5 + delta_h -2.4 # Laudelout et al., 1968 + + Ca+2 + 2 X- = CaX2 + log_k 0.8 + -llnl_gamma 6 + delta_h 7.2 # Van Bladel & Gheyl, 1980 + + Mg+2 + 2 X- = MgX2 + log_k 0.6 + -llnl_gamma 8 + delta_h 7.4 # Laudelout et al., 1968 + + Sr+2 + 2 X- = SrX2 + log_k 0.91 + -llnl_gamma 5 + delta_h 5.5 # Laudelout et al., 1968 + + Ba+2 + 2 X- = BaX2 + log_k 0.91 + -llnl_gamma 5 + delta_h 4.5 # Laudelout et al., 1968 + + Mn+2 + 2 X- = MnX2 + log_k 0.52 + -llnl_gamma 6 + + Fe+2 + 2 X- = FeX2 + log_k 0.44 + -llnl_gamma 6 + + Cu+2 + 2 X- = CuX2 + log_k 0.6 + -llnl_gamma 6 + + Zn+2 + 2 X- = ZnX2 + log_k 0.8 + -llnl_gamma 6 + + Cd+2 + 2 X- = CdX2 + log_k 0.8 + -llnl_gamma 5 + + Pb+2 + 2 X- = PbX2 + log_k 1.05 + -llnl_gamma 4.5 + + Al+3 + 3 X- = AlX3 + log_k 0.41 + -llnl_gamma 9 + + AlOH+2 + 2 X- = AlOHX2 + log_k 0.89 + -llnl_gamma 4.5 SURFACE_MASTER_SPECIES - Hfo_s Hfo_sOH - Hfo_w Hfo_wOH + Hfo_s Hfo_sOH + Hfo_w Hfo_wOH SURFACE_SPECIES # All surface data from # Dzombak and Morel, 1990 @@ -18884,24 +18888,24 @@ SURFACE_SPECIES # strong binding site--Hfo_s, Hfo_sOH = Hfo_sOH - log_k 0.0 + log_k 0 - Hfo_sOH + H+ = Hfo_sOH2+ - log_k 7.29 # = pKa1,int + Hfo_sOH + H+ = Hfo_sOH2+ + log_k 7.29 # = pKa1,int Hfo_sOH = Hfo_sO- + H+ - log_k -8.93 # = -pKa2,int + log_k -8.93 # = -pKa2,int # weak binding site--Hfo_w Hfo_wOH = Hfo_wOH - log_k 0.0 + log_k 0 - Hfo_wOH + H+ = Hfo_wOH2+ - log_k 7.29 # = pKa1,int + Hfo_wOH + H+ = Hfo_wOH2+ + log_k 7.29 # = pKa1,int Hfo_wOH = Hfo_wO- + H+ - log_k -8.93 # = -pKa2,int + log_k -8.93 # = -pKa2,int ############################################### # CATIONS # @@ -18911,52 +18915,52 @@ SURFACE_SPECIES # # Calcium Hfo_sOH + Ca+2 = Hfo_sOHCa+2 - log_k 4.97 + log_k 4.97 Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+ log_k -5.85 # Strontium Hfo_sOH + Sr+2 = Hfo_sOHSr+2 - log_k 5.01 + log_k 5.01 Hfo_wOH + Sr+2 = Hfo_wOSr+ + H+ log_k -6.58 - Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2H+ - log_k -17.60 + Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2 H+ + log_k -17.6 # Barium Hfo_sOH + Ba+2 = Hfo_sOHBa+2 - log_k 5.46 + log_k 5.46 Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+ - log_k -7.2 # table 10.5 + log_k -7.2 # table 10.5 # # Cations from table 10.2 # # Cadmium Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+ - log_k 0.47 + log_k 0.47 Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+ - log_k -2.91 + log_k -2.91 # Zinc Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+ - log_k 0.99 + log_k 0.99 Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+ - log_k -1.99 + log_k -1.99 # Copper Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+ - log_k 2.89 + log_k 2.89 Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+ - log_k 0.6 # table 10.5 + log_k 0.6 # table 10.5 # Lead Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+ - log_k 4.65 + log_k 4.65 Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+ - log_k 0.3 # table 10.5 + log_k 0.3 # table 10.5 # # Derived constants table 10.5 # @@ -18965,16 +18969,16 @@ SURFACE_SPECIES log_k -4.6 # Manganese Hfo_sOH + Mn+2 = Hfo_sOMn+ + H+ - log_k -0.4 # table 10.5 + log_k -0.4 # table 10.5 Hfo_wOH + Mn+2 = Hfo_wOMn+ + H+ - log_k -3.5 # table 10.5 + log_k -3.5 # table 10.5 # Iron Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+ - log_k 0.7 # LFER using table 10.5 + log_k 0.7 # LFER using table 10.5 Hfo_wOH + Fe+2 = Hfo_wOFe+ + H+ - log_k -2.5 # LFER using table 10.5 + log_k -2.5 # LFER using table 10.5 ############################################### # ANIONS # @@ -18983,44 +18987,44 @@ SURFACE_SPECIES # Anions from table 10.6 # # Phosphate - Hfo_wOH + PO4-3 + 3H+ = Hfo_wH2PO4 + H2O - log_k 31.29 + Hfo_wOH + PO4-3 + 3 H+ = Hfo_wH2PO4 + H2O + log_k 31.29 - Hfo_wOH + PO4-3 + 2H+ = Hfo_wHPO4- + H2O - log_k 25.39 + Hfo_wOH + PO4-3 + 2 H+ = Hfo_wHPO4- + H2O + log_k 25.39 Hfo_wOH + PO4-3 + H+ = Hfo_wPO4-2 + H2O - log_k 17.72 + log_k 17.72 # # Anions from table 10.7 # # Borate Hfo_wOH + B(OH)3 = Hfo_wH2BO3 + H2O - log_k 0.62 + log_k 0.62 # # Anions from table 10.8 # # Sulfate Hfo_wOH + SO4-2 + H+ = Hfo_wSO4- + H2O - log_k 7.78 + log_k 7.78 Hfo_wOH + SO4-2 = Hfo_wOHSO4-2 - log_k 0.79 + log_k 0.79 # # Derived constants table 10.10 # Hfo_wOH + F- + H+ = Hfo_wF + H2O - log_k 8.7 + log_k 8.7 Hfo_wOH + F- = Hfo_wOHF- - log_k 1.6 + log_k 1.6 # # Carbonate: Van Geen et al., 1994 reoptimized for HFO # 0.15 g HFO/L has 0.344 mM sites == 2 g of Van Geen's Goethite/L # # Hfo_wOH + CO3-2 + H+ = Hfo_wCO3- + H2O # log_k 12.56 -# +# # Hfo_wOH + CO3-2 + 2H+= Hfo_wHCO3 + H2O # log_k 20.62 @@ -19070,38 +19074,38 @@ RATES K-feldspar -start -1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 -2 REM PARM(1) = Specific area of Kspar m^2/mol Kspar -3 REM PARM(2) = Adjusts lab rate to field rate -4 REM temp corr: from A&P, p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) -5 REM K-Feldspar parameters -10 DATA 11.7, 0.5, 4e-6, 0.4, 500e-6, 0.15, 14.5, 0.14, 0.15, 13.1, 0.3 -20 RESTORE 10 -30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH -40 DATA 3500, 2000, 2500, 2000 -50 RESTORE 40 -60 READ e_H, e_H2O, e_OH, e_CO2 -70 pk_CO2 = 13 -80 n_CO2 = 0.6 +1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 +2 REM PARM(1) = Specific area of Kspar m^2/mol Kspar +3 REM PARM(2) = Adjusts lab rate to field rate +4 REM temp corr: from A&P, p. 162 E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) +5 REM K-Feldspar parameters +10 DATA 11.7, 0.5, 4e-6, 0.4, 500e-6, 0.15, 14.5, 0.14, 0.15, 13.1, 0.3 +20 RESTORE 10 +30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH +40 DATA 3500, 2000, 2500, 2000 +50 RESTORE 40 +60 READ e_H, e_H2O, e_OH, e_CO2 +70 pk_CO2 = 13 +80 n_CO2 = 0.6 100 REM Generic rate follows 110 dif_temp = 1/TK - 1/281 -120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2") +120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2") 130 REM rate by H+ -140 pk_H = pk_H + e_H * dif_temp -150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC) +140 pk_H = pk_H + e_H * dif_temp +150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC) 160 REM rate by hydrolysis -170 pk_H2O = pk_H2O + e_H2O * dif_temp +170 pk_H2O = pk_H2O + e_H2O * dif_temp 180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC) 190 REM rate by OH- -200 pk_OH = pk_OH + e_OH * dif_temp -210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH +200 pk_OH = pk_OH + e_OH * dif_temp +210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH 220 REM rate by CO2 -230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp +230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp 240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2 -250 rate = rate_H + rate_H2O + rate_OH + rate_CO2 -260 area = PARM(1) * M0 *(M/M0)^0.67 -270 rate = PARM(2) * area * rate * (1-SR("K-feldspar")) -280 moles = rate * TIME +250 rate = rate_H + rate_H2O + rate_OH + rate_CO2 +260 area = PARM(1) * M0 *(M/M0)^0.67 +270 rate = PARM(2) * area * rate * (1-SR("K-feldspar")) +280 moles = rate * TIME 290 SAVE moles -end @@ -19145,38 +19149,38 @@ K-feldspar Albite -start -1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 -2 REM PARM(1) = Specific area of Albite m^2/mol Albite -3 REM PARM(2) = Adjusts lab rate to field rate -4 REM temp corr: from A&P, p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) -5 REM Albite parameters -10 DATA 11.5, 0.5, 4e-6, 0.4, 500e-6, 0.2, 13.7, 0.14, 0.15, 11.8, 0.3 -20 RESTORE 10 -30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH -40 DATA 3500, 2000, 2500, 2000 -50 RESTORE 40 -60 READ e_H, e_H2O, e_OH, e_CO2 -70 pk_CO2 = 13 -80 n_CO2 = 0.6 +1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 +2 REM PARM(1) = Specific area of Albite m^2/mol Albite +3 REM PARM(2) = Adjusts lab rate to field rate +4 REM temp corr: from A&P, p. 162 E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) +5 REM Albite parameters +10 DATA 11.5, 0.5, 4e-6, 0.4, 500e-6, 0.2, 13.7, 0.14, 0.15, 11.8, 0.3 +20 RESTORE 10 +30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH +40 DATA 3500, 2000, 2500, 2000 +50 RESTORE 40 +60 READ e_H, e_H2O, e_OH, e_CO2 +70 pk_CO2 = 13 +80 n_CO2 = 0.6 100 REM Generic rate follows 110 dif_temp = 1/TK - 1/281 -120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2") +120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2") 130 REM rate by H+ -140 pk_H = pk_H + e_H * dif_temp -150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC) +140 pk_H = pk_H + e_H * dif_temp +150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC) 160 REM rate by hydrolysis -170 pk_H2O = pk_H2O + e_H2O * dif_temp +170 pk_H2O = pk_H2O + e_H2O * dif_temp 180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC) 190 REM rate by OH- -200 pk_OH = pk_OH + e_OH * dif_temp -210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH +200 pk_OH = pk_OH + e_OH * dif_temp +210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH 220 REM rate by CO2 -230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp +230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp 240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2 -250 rate = rate_H + rate_H2O + rate_OH + rate_CO2 -260 area = PARM(1) * M0 *(M/M0)^0.67 -270 rate = PARM(2) * area * rate * (1-SR("Albite")) -280 moles = rate * TIME +250 rate = rate_H + rate_H2O + rate_OH + rate_CO2 +260 area = PARM(1) * M0 *(M/M0)^0.67 +270 rate = PARM(2) * area * rate * (1-SR("Albite")) +280 moles = rate * TIME 290 SAVE moles -end @@ -19184,7 +19188,7 @@ Albite #Calcite ######## # Example of KINETICS data block for calcite rate, -# in mmol/cm2/s, Plummer et al., 1978, AJS 278, 179; Appelo et al., AG 13, 257. +# in mmol/cm2/s, Plummer et al., 1978, AJS 278, 179; Appelo et al., AG 13, 257 # KINETICS 1 # Calcite # -tol 1e-8 @@ -19195,16 +19199,16 @@ Albite Calcite -start -1 REM PARM(1) = specific surface area of calcite, cm^2/mol calcite -2 REM PARM(2) = exponent for M/M0 - -10 si_cc = SI("Calcite") -20 IF (M <= 0 and si_cc < 0) THEN GOTO 200 -30 k1 = 10^(0.198 - 444.0 / TK ) -40 k2 = 10^(2.84 - 2177.0 /TK ) -50 IF TC <= 25 THEN k3 = 10^(-5.86 - 317.0 / TK) -60 IF TC > 25 THEN k3 = 10^(-1.1 - 1737.0 / TK ) -80 IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M +1 REM PARM(1) = specific surface area of calcite, cm^2/mol calcite +2 REM PARM(2) = exponent for M/M0 + +10 si_cc = SI("Calcite") +20 IF (M <= 0 and si_cc < 0) THEN GOTO 200 +30 k1 = 10^(0.198 - 444 / TK ) +40 k2 = 10^(2.84 - 2177 /TK ) +50 IF TC <= 25 THEN k3 = 10^(-5.86 - 317 / TK) +60 IF TC > 25 THEN k3 = 10^(-1.1 - 1737 / TK ) +80 IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M 110 rate = area * (k1 * ACT("H+") + k2 * ACT("CO2") + k3 * ACT("H2O")) 120 rate = rate * (1 - 10^(2/3*si_cc)) 130 moles = rate * 0.001 * TIME # convert from mmol to mol @@ -19229,18 +19233,18 @@ Calcite # -time 1 day in 10 Pyrite -start -1 REM Williamson and Rimstidt, 1994 -2 REM PARM(1) = log10(specific area), log10(m^2 per mole pyrite) -3 REM PARM(2) = exp for (M/M0) -4 REM PARM(3) = exp for O2 -5 REM PARM(4) = exp for H+ - -10 REM Dissolution in presence of DO -20 if (M <= 0) THEN GOTO 200 -30 if (SI("Pyrite") >= 0) THEN GOTO 200 -40 log_rate = -8.19 + PARM(3)*LM("O2") + PARM(4)*LM("H+") -50 log_area = PARM(1) + LOG10(M0) + PARM(2)*LOG10(M/M0) -60 moles = 10^(log_area + log_rate) * TIME +1 REM Williamson and Rimstidt, 1994 +2 REM PARM(1) = log10(specific area), log10(m^2 per mole pyrite) +3 REM PARM(2) = exp for (M/M0) +4 REM PARM(3) = exp for O2 +5 REM PARM(4) = exp for H+ + +10 REM Dissolution in presence of DO +20 if (M <= 0) THEN GOTO 200 +30 if (SI("Pyrite") >= 0) THEN GOTO 200 +40 log_rate = -8.19 + PARM(3)*LM("O2") + PARM(4)*LM("H+") +50 log_area = PARM(1) + LOG10(M0) + PARM(2)*LOG10(M/M0) +60 moles = 10^(log_area + log_rate) * TIME 200 SAVE moles -end @@ -19257,19 +19261,19 @@ Pyrite # -time 30 year in 15 Organic_C -start -1 REM Additive Monod kinetics for SOC (sediment organic carbon) -2 REM Electron acceptors: O2, NO3, and SO4 - -10 if (M <= 0) THEN GOTO 200 -20 mO2 = MOL("O2") -30 mNO3 = TOT("N(5)") -40 mSO4 = TOT("S(6)") -50 k_O2 = 1.57e-9 # 1/sec -60 k_NO3 = 1.67e-11 # 1/sec -70 k_SO4 = 1.e-13 # 1/sec -80 rate = k_O2 * mO2/(2.94e-4 + mO2) -90 rate = rate + k_NO3 * mNO3/(1.55e-4 + mNO3) -100 rate = rate + k_SO4 * mSO4/(1.e-4 + mSO4) +1 REM Additive Monod kinetics for SOC (sediment organic carbon) +2 REM Electron acceptors: O2, NO3, and SO4 + +10 if (M <= 0) THEN GOTO 200 +20 mO2 = MOL("O2") +30 mNO3 = TOT("N(5)") +40 mSO4 = TOT("S(6)") +50 k_O2 = 1.57e-9 # 1/sec +60 k_NO3 = 1.67e-11 # 1/sec +70 k_SO4 = 1.e-13 # 1/sec +80 rate = k_O2 * mO2/(2.94e-4 + mO2) +90 rate = rate + k_NO3 * mNO3/(1.55e-4 + mNO3) +100 rate = rate + k_SO4 * mSO4/(1.e-4 + mSO4) 110 moles = rate * M * (M/M0) * TIME 200 SAVE moles -end @@ -19290,14 +19294,14 @@ Organic_C # -time 0.5 day in 10 Pyrolusite -start -10 if (M <= 0) THEN GOTO 200 -20 sr_pl = SR("Pyrolusite") -30 if (sr_pl > 1) THEN GOTO 100 -40 REM sr_pl <= 1, undersaturated -50 Fe_t = TOT("Fe(2)") -60 if Fe_t < 1e-8 then goto 200 -70 moles = 6.98e-5 * Fe_t * (M/M0)^0.67 * TIME * (1 - sr_pl) -80 GOTO 200 +10 if (M <= 0) THEN GOTO 200 +20 sr_pl = SR("Pyrolusite") +30 if (sr_pl > 1) THEN GOTO 100 +40 REM sr_pl <= 1, undersaturated +50 Fe_t = TOT("Fe(2)") +60 if Fe_t < 1e-8 then goto 200 +70 moles = 6.98e-5 * Fe_t * (M/M0)^0.67 * TIME * (1 - sr_pl) +80 GOTO 200 100 REM sr_pl > 1, supersaturated 110 moles = 2e-3 * 6.98e-5 * (1 - sr_pl) * TIME 200 SAVE moles * SOLN_VOL diff --git a/src/phreeqcinwt/databases/metadata/phreeqc_PHASES.yaml b/src/phreeqcinwt/databases/metadata/phreeqc_PHASES.yaml new file mode 100644 index 0000000..d5331a2 --- /dev/null +++ b/src/phreeqcinwt/databases/metadata/phreeqc_PHASES.yaml @@ -0,0 +1,227 @@ +Calcite: + formula: CaCO3 + mw: 100.086955 +Aragonite: + formula: CaCO3 + mw: 100.086955 +Dolomite: + formula: CaMg(CO3)2 + mw: 184.40101 +Siderite: + formula: FeCO3 + mw: 115.853955 +Rhodochrosite: + formula: MnCO3 + mw: 114.946999 +Strontianite: + formula: SrCO3 + mw: 147.62895500000002 +Witherite: + formula: BaCO3 + mw: 197.335955 +Gypsum: + formula: -Vm73.9#172.18/2.33(VmH2O + mw: null +Anhydrite: + formula: CaSO4 + mw: 136.14042 +Celestite: + formula: SrSO4 + mw: 183.68242 +Barite: + formula: BaSO4 + mw: 233.38942 +Arcanite: + formula: '#Note,theLinkeandSeidelldatamaygivesubsaturationinotherxpt''s,SI' + mw: null +Mirabilite: + formula: Na2SO4:10H2O + mw: null +Thenardite: + formula: Na2SO4 + mw: 142.04195856 +Epsomite: + formula: MgSO4:7H2O + mw: null +Hexahydrite: + formula: MgSO4:6H2O + mw: null +Kieserite: + formula: MgSO4:H2O + mw: null +Hydroxyapatite: + formula: Ca5(PO4)3OH + mw: 502.311491994 +Fluorite: + formula: CaF2 + mw: 78.074806326 +SiO2(a): + formula: SiO2 + mw: 60.08431 +Chalcedony: + formula: SiO2 + mw: 60.08431 +Quartz: + formula: SiO2 + mw: 60.08431 +Gibbsite: + formula: Al(OH)3 + mw: 78.00357650000001 +Al(OH)3(a): + formula: Al(OH)3 + mw: 78.00357650000001 +Kaolinite: + formula: Al2Si2O5(OH)4 + mw: 258.160486 +Albite: + formula: NaAlSi3O8 + mw: 262.22304778 +Anorthite: + formula: CaAl2Si2O8 + mw: 278.207317 +K-feldspar: + formula: KAlSi3O8 + mw: 278.3315785 +K-mica: + formula: KAl3Si3O10(OH)2 + mw: 398.3081575 +Chlorite(14A): + formula: Mg5Al2Si3O10(OH)8 + mw: 555.797895 +Ca-Montmorillonite: + formula: Ca0.165Al2.33Si3.67O10(OH)2 + mw: null +Talc: + formula: Mg3Si4O10(OH)2 + mw: 379.266042 +Illite: + formula: K0.6Mg0.25Al2.3Si3.5O10(OH)2 + mw: null +Chrysotile: + formula: Mg3Si2O5(OH)4 + mw: 277.112709 +Sepiolite: + formula: Mg2Si3O7.5OH:3H2O + mw: null +Sepiolite(d): + formula: Mg2Si3O7.5OH:3H2O + mw: null +Hematite: + formula: Fe2O3 + mw: 159.688215 +Goethite: + formula: FeOOH + mw: 88.85175100000001 +Fe(OH)3(a): + formula: Fe(OH)3 + mw: 106.86703800000001 +Pyrite: + formula: FeS2 + mw: 119.9746 +FeS(ppt): + formula: FeS + mw: 87.90979999999999 +Mackinawite: + formula: FeS + mw: 87.90979999999999 +Sulfur: + formula: S + mw: 32.0648 +Vivianite: + formula: MnO2:H2O + mw: null +Hausmannite: + formula: Mn3O4 + mw: 228.811752 +Manganite: + formula: MnOOH + mw: 87.944795 +Pyrochroite: + formula: Mn(OH)2 + mw: 88.95273599999999 +Halite: + formula: NaCl + mw: 58.442669280000004 +Sylvite: + formula: KCl + mw: 74.5512 +CO2(g): + formula: CO2 + mw: 44.00955 +H2O(g): {} +O2(g): + formula: O2 + mw: 31.99881 +H2(g): + formula: H2 + mw: 2.015882 +N2(g): + formula: N2 + mw: 28.013406 +H2S(g): + formula: H2S + mw: 34.080681999999996 +CH4(g): + formula: Amm + mw: null +NH3(g): + formula: NH3 + mw: 17.030526000000002 +Oxg(g): + formula: Oxg + mw: null +Hdg(g): + formula: Hdg + mw: null +Ntg(g): + formula: Ntg + mw: null +Mtg(g): + formula: Mtg + mw: null +H2Sg(g): + formula: H2Sg + mw: 273.14978199999996 +Melanterite: + formula: FeSO4:7H2O + mw: null +Alunite: + formula: KAl3(SO4)2(OH)6 + mw: 414.21183149999996 +Jarosite-K: + formula: KFe3(SO4)2(OH)6 + mw: 500.80221599999993 +Zn(OH)2(e): + formula: Zn(OH)2 + mw: 99.39469199999999 +Smithsonite: + formula: ZnCO3 + mw: 125.388955 +Sphalerite: + formula: ZnS + mw: 97.44479999999999 +Willemite: + formula: Zn2SiO4 + mw: 222.84312 +Cd(OH)2: + formula: Cd(OH)2 + mw: 146.428692 +Otavite: + formula: CdCO3 + mw: 172.422955 +CdSiO3: + formula: CdSiO3 + mw: 188.497715 +CdSO4: + formula: CdSO4 + mw: 208.47642000000002 +Cerussite: + formula: PbCO3 + mw: 267.208955 +Anglesite: + formula: PbSO4 + mw: 303.26242 +Pb(OH)2: + formula: Pb(OH)2 + mw: 241.21469199999999 +GAS_BINARY_PARAMETERS: {} diff --git a/src/phreeqcinwt/databases/minteq.dat b/src/phreeqcinwt/databases/minteq.dat index d2c7065..2a35684 100644 --- a/src/phreeqcinwt/databases/minteq.dat +++ b/src/phreeqcinwt/databases/minteq.dat @@ -1,1834 +1,1838 @@ +# File 1 = C:\GitPrograms\phreeqc3-1\database\minteq.dat, 15/03/2024 15:27, 5650 lines, 159592 bytes, md5=4c6f21f3073c15690f089901794039db +# Created 17 May 2024 14:30:40 +# c:\3rdParty\lsp\lsp.exe -f2 -k="asis" -ts "minteq.dat" + # $Id: minteq.dat 11091 2016-04-21 15:20:05Z dlpark $ SOLUTION_MASTER_SPECIES ####################################################### # essential definitions ####################################################### -Alkalinity CO3-2 2.0 61.0173 61.0173 -E e- 0 0 0 -H H+ -1. 1.008 1.008 -H(0) H2 0.0 1.008 -H(1) H+ -1. 1.008 -O H2O 0 16.00 16.00 -O(-2) H2O 0 16.00 16.00 -O(0) O2 0 16.00 16.00 +Alkalinity CO3-2 2 61.0173 61.0173 +E e- 1 0 0 +H H+ -1 1.008 1.008 +H(0) H2 0 1.008 +H(1) H+ -1 1.008 +O H2O 0 16 16 +O(-2) H2O 0 16 16 +O(0) O2 0 16 16 ####################################################### -Ag Ag+ 0 107.868 107.868 -Al Al+3 0 26.9815 26.9815 -As H3AsO4 -1.0 74.9216 74.9216 -As(+3) H3AsO3 0.0 74.9216 -As(+5) H3AsO4 -1.0 74.9216 -B H3BO3 0.0 10.81 10.81 -Ba Ba+2 0 137.34 137.34 -Be Be+2 0 9.0122 9.0122 -Br Br- 0 79.904 79.904 -C CO3-2 2.0 61.0173 12.0111 -C(+4) CO3-2 2.0 61.0173 +Ag Ag+ 0 107.868 107.868 +Al Al+3 0 26.9815 26.9815 +As H3AsO4 -1 74.9216 74.9216 +As(+3) H3AsO3 0 74.9216 +As(+5) H3AsO4 -1 74.9216 +B H3BO3 0 10.81 10.81 +Ba Ba+2 0 137.34 137.34 +Be Be+2 0 9.0122 9.0122 +Br Br- 0 79.904 79.904 +C CO3-2 2 61.0173 12.0111 +C(+4) CO3-2 2 61.0173 #C(-4) CH4 0.0 16.042 -Cyanide Cyanide- 0 26.018 26.018 -Cyanate Cyanate- 0 42.017 42.017 +Cyanide Cyanide- 0 26.018 26.018 +Cyanate Cyanate- 0 42.017 42.017 #DOM DOM-2.8 0 0 0 #ClIG2 ClIG2 0 0 0 -Ca Ca+2 0 40.08 40.08 -Cd Cd+2 0 112.399 112.399 -Cl Cl- 0 35.453 35.453 -Cr CrO4-2 1 51.996 51.996 -Cr(2) Cr+2 0 51.996 -Cr(3) Cr(OH)2+ 1 51.996 -Cr(6) CrO4-2 1 51.996 -Cu Cu+2 0 63.546 63.546 -Cu(1) Cu+ 0 63.546 -Cu(2) Cu+2 0 63.546 -F F- 0 18.9984 18.9984 -Fe Fe+3 0.0 55.847 55.847 -Fe(+2) Fe+2 0.0 55.847 -Fe(+3) Fe+3 -2.0 55.847 -Hg Hg(OH)2 0 200.59 200.59 -Hg(2) Hg(OH)2 0 200.59 -Hg(1) Hg2+2 0 200.59 -Hg(0) Hg 0 200.59 -I I- 0 126.904 126.904 -K K+ 0 39.102 39.102 -Li Li+ 0 6.939 6.939 -Mg Mg+2 0 24.312 24.312 -Mn Mn+3 0.0 54.938 54.938 -Mn(2) Mn+2 0.0 54.938 -Mn(3) Mn+3 0.0 54.938 -Mn(6) MnO4-2 0.0 54.938 -Mn(7) MnO4- 0.0 54.938 -N NO3- 0.0 14.0067 14.0067 -N(-3) NH4+ 0.0 14.0067 +Ca Ca+2 0 40.08 40.08 +Cd Cd+2 0 112.399 112.399 +Cl Cl- 0 35.453 35.453 +Cr CrO4-2 1 51.996 51.996 +Cr(2) Cr+2 0 51.996 +Cr(3) Cr(OH)2+ 1 51.996 +Cr(6) CrO4-2 1 51.996 +Cu Cu+2 0 63.546 63.546 +Cu(1) Cu+ 0 63.546 +Cu(2) Cu+2 0 63.546 +F F- 0 18.9984 18.9984 +Fe Fe+3 0 55.847 55.847 +Fe(+2) Fe+2 0 55.847 +Fe(+3) Fe+3 -2 55.847 +Hg Hg(OH)2 0 200.59 200.59 +Hg(2) Hg(OH)2 0 200.59 +Hg(1) Hg2+2 0 200.59 +Hg(0) Hg 0 200.59 +I I- 0 126.904 126.904 +K K+ 0 39.102 39.102 +Li Li+ 0 6.939 6.939 +Mg Mg+2 0 24.312 24.312 +Mn Mn+3 0 54.938 54.938 +Mn(2) Mn+2 0 54.938 +Mn(3) Mn+3 0 54.938 +Mn(6) MnO4-2 0 54.938 +Mn(7) MnO4- 0 54.938 +N NO3- 0 14.0067 14.0067 +N(-3) NH4+ 0 14.0067 #N(0) N2 0.0 14.0067 -N(+3) NO2- 0.0 14.0067 -N(+5) NO3- 0.0 14.0067 -Na Na+ 0 22.9898 22.9898 -Ni Ni+2 0 58.71 58.71 -P PO4-3 2.0 30.9738 30.9738 -Pb Pb+2 0 207.19 207.19 -Rb Rb+ 0 85.4699 85.4699 -S SO4-2 0.0 96.0616 32.064 -S(-2) HS- 1.0 32.064 -S(6) SO4-2 0.0 96.0616 -Sb Sb(OH)6- 0. Sb 121.75 -Sb(3) Sb(OH)3 0. Sb -Sb(5) Sb(OH)6- 0 Sb -Se SeO4-2 0.0 78.96 78.96 -Se(-2) HSe- 0.0 78.96 -Se(4) SeO3-2 0.0 78.96 -Se(6) SeO4-2 0.0 78.96 -Si H4SiO4 0 96.1155 28.0843 -Sr Sr+2 0 87.62 87.62 -Tl Tl(OH)3 0 204.37 204.37 -Tl(1) Tl+ 0 204.37 -Tl(3) Tl(OH)3 0 204.37 -U UO2+2 0.0 238.0290 238.0290 -U(3) U+3 0.0 238.0290 -U(4) U+4 0.0 238.0290 -U(5) UO2+ 0.0 238.0290 -U(6) UO2+2 0.0 238.0290 -V VO2+ -2.0 50.94 50.94 -V(2) V+2 0 50.94 -V(3) V+3 -3.0 50.94 -V(4) VO+2 0 50.94 -V(5) VO2+ -2.0 50.94 -Zn Zn+2 0 65.37 65.37 -Benzoate Benzoate- 0 121.12 121.12 -Para_acetate Para_acetate- 1 134.14 134.14 -Isophthalate Isophthalate-2 1 164.12 164.12 -Diethylamine Diethylamine 0 73 73 -Nbutylamine Nbutylamine 1 73 73 -Methylamine Methylamine 1 31.018 31.018 -Dimethylamine Dimethylamine 1 45.028 45.028 -Tributylphosphate Tributylphosphate 0 265.97 265.97 -Hexylamine Hexylamine 1 101 101 -Ethylenediamine Ethylenediamine 2 60.12 60.12 -Npropylamine Npropylamine 1 59.04 59.04 -Isopropylamine Isopropylamine 1 59.04 59.04 -Trimethylamine Trimethylamine 1 59.04 59.04 -Citrate Citrate-3 2 189.06 189.06 -Nta Nta-3 1 188.06 188.06 -Edta Edta-4 2 276 276 -Propanoate Propanoate- 1 73.032 73.032 -Butanoate Butanoate- 0 87.043 87.043 -Isobutyrate Isobutyrate- 1 87.043 87.043 -Two_methylpyridine Two_methylpyridine 1 94 94 -Three_methylpyridine Three_methylpyridine 1 94 94 -Four_methylpyridine Four_methylpyridine 1 94 94 -Formate Formate- 0 45.02 45.02 -Isovalerate Isovalerate- 1 101.13 101.13 -Valerate Valerate- 1 101.13 101.13 -Acetate Acetate- 1 59.05 59.05 -Tartrate Tartrate-2 0 148.09 148.09 -Glycine Glycine- 1 74.07 74.07 -Salicylate Salicylate-2 1 136.12 136.12 -Glutamate Glutamate-2 1 145.13 145.13 -Phthalate Phthalate-2 1 164.13 164.13 +N(+3) NO2- 0 14.0067 +N(+5) NO3- 0 14.0067 +Na Na+ 0 22.9898 22.9898 +Ni Ni+2 0 58.71 58.71 +P PO4-3 2 30.9738 30.9738 +Pb Pb+2 0 207.19 207.19 +Rb Rb+ 0 85.4699 85.4699 +S SO4-2 0 96.0616 32.064 +S(-2) HS- 1 32.064 +S(6) SO4-2 0 96.0616 +Sb Sb(OH)6- 0 Sb 121.75 +Sb(3) Sb(OH)3 0 Sb +Sb(5) Sb(OH)6- 0 Sb +Se SeO4-2 0 78.96 78.96 +Se(-2) HSe- 0 78.96 +Se(4) SeO3-2 0 78.96 +Se(6) SeO4-2 0 78.96 +Si H4SiO4 0 96.1155 28.0843 +Sr Sr+2 0 87.62 87.62 +Tl Tl(OH)3 0 204.37 204.37 +Tl(1) Tl+ 0 204.37 +Tl(3) Tl(OH)3 0 204.37 +U UO2+2 0 238.029 238.029 +U(3) U+3 0 238.029 +U(4) U+4 0 238.029 +U(5) UO2+ 0 238.029 +U(6) UO2+2 0 238.029 +V VO2+ -2 50.94 50.94 +V(2) V+2 0 50.94 +V(3) V+3 -3 50.94 +V(4) VO+2 0 50.94 +V(5) VO2+ -2 50.94 +Zn Zn+2 0 65.37 65.37 +Benzoate Benzoate- 0 121.12 121.12 +Para_acetate Para_acetate- 1 134.14 134.14 +Isophthalate Isophthalate-2 1 164.12 164.12 +Diethylamine Diethylamine 0 73 73 +Nbutylamine Nbutylamine 1 73 73 +Methylamine Methylamine 1 31.018 31.018 +Dimethylamine Dimethylamine 1 45.028 45.028 +Tributylphosphate Tributylphosphate 0 265.97 265.97 +Hexylamine Hexylamine 1 101 101 +Ethylenediamine Ethylenediamine 2 60.12 60.12 +Npropylamine Npropylamine 1 59.04 59.04 +Isopropylamine Isopropylamine 1 59.04 59.04 +Trimethylamine Trimethylamine 1 59.04 59.04 +Citrate Citrate-3 2 189.06 189.06 +Nta Nta-3 1 188.06 188.06 +Edta Edta-4 2 276 276 +Propanoate Propanoate- 1 73.032 73.032 +Butanoate Butanoate- 0 87.043 87.043 +Isobutyrate Isobutyrate- 1 87.043 87.043 +Two_methylpyridine Two_methylpyridine 1 94 94 +Three_methylpyridine Three_methylpyridine 1 94 94 +Four_methylpyridine Four_methylpyridine 1 94 94 +Formate Formate- 0 45.02 45.02 +Isovalerate Isovalerate- 1 101.13 101.13 +Valerate Valerate- 1 101.13 101.13 +Acetate Acetate- 1 59.05 59.05 +Tartrate Tartrate-2 0 148.09 148.09 +Glycine Glycine- 1 74.07 74.07 +Salicylate Salicylate-2 1 136.12 136.12 +Glutamate Glutamate-2 1 145.13 145.13 +Phthalate Phthalate-2 1 164.13 164.13 SOLUTION_SPECIES ####################################################### # essential definitions ####################################################### e- = e- - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal H+ = H+ - log_k 0 - delta_h 0 kcal - -gamma 9.0 0.0 + log_k 0 + delta_h 0 kcal + -gamma 9 0 H2O = H2O - log_k 0 - delta_h 0 kcal -2H2O = O2 + 4H+ + 4e- - log_k -86.08 + log_k 0 + delta_h 0 kcal +2 H2O = O2 + 4 H+ + 4 e- + log_k -86.08 delta_h 134.79 kcal 2 H+ + 2 e- = H2 - log_k -3.15 - delta_h -1.759 kcal + log_k -3.15 + delta_h -1.759 kcal CO3-2 = CO3-2 - log_k 0 - delta_h 0 kcal - -gamma 5.4 0.0 + log_k 0 + delta_h 0 kcal + -gamma 5.4 0 ####################################################### Ag+ = Ag+ - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Al+3 = Al+3 - log_k 0 - delta_h 0 kcal - -gamma 9.0 0.0 + log_k 0 + delta_h 0 kcal + -gamma 9 0 H3AsO4 = H3AsO4 - log_k 0 - delta_h 0 kcal -H3AsO4 + 2e- + 2H+ = H3AsO3 + H2O - log_k 19.444 + log_k 0 + delta_h 0 kcal +H3AsO4 + 2 e- + 2 H+ = H3AsO3 + H2O + log_k 19.444 delta_h -30.015 kcal H3BO3 = H3BO3 - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Ba+2 = Ba+2 - log_k 0 - delta_h 0 kcal - -gamma 5.0 0.0 + log_k 0 + delta_h 0 kcal + -gamma 5 0 Be+2 = Be+2 - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Br- = Br- - log_k 0 - delta_h 0 kcal - -gamma 4.0 0.0 + log_k 0 + delta_h 0 kcal + -gamma 4 0 Cyanide- = Cyanide- - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Cyanate- = Cyanate- - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Ca+2 = Ca+2 - log_k 0 - delta_h 0 kcal - -gamma 6.0 .165 + log_k 0 + delta_h 0 kcal + -gamma 6 .165 Cd+2 = Cd+2 - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Cl- = Cl- - log_k 0 - delta_h 0 kcal - -gamma 3.0 .015 + log_k 0 + delta_h 0 kcal + -gamma 3 .015 CrO4-2 = CrO4-2 - log_k 0 - delta_h 0 kcal - -gamma 4.0 0.0 -Cr(OH)2+ + 2H+ + e- = Cr+2 + 2H2O - log_k 2.947 - delta_h 6.36 kcal -CrO4-2 + 6H+ + 3e- = Cr(OH)2+ + 2H2O - log_k 67.376 - delta_h -103 kcal + log_k 0 + delta_h 0 kcal + -gamma 4 0 +Cr(OH)2+ + 2 H+ + e- = Cr+2 + 2 H2O + log_k 2.947 + delta_h 6.36 kcal +CrO4-2 + 6 H+ + 3 e- = Cr(OH)2+ + 2 H2O + log_k 67.376 + delta_h -103 kcal Cu+2 = Cu+2 - log_k 0 - delta_h 0 kcal - -gamma 2.5 0.0 + log_k 0 + delta_h 0 kcal + -gamma 2.5 0 Cu+2 + e- = Cu+ - log_k 2.72 - delta_h 1.65 kcal - -gamma 2.5 0.0 + log_k 2.72 + delta_h 1.65 kcal + -gamma 2.5 0 F- = F- - log_k 0 - delta_h 0 kcal - -gamma 3.5 0.0 + log_k 0 + delta_h 0 kcal + -gamma 3.5 0 Fe+3 = Fe+3 - log_k 0 - delta_h 0 kcal - -gamma 9.0 0.0 + log_k 0 + delta_h 0 kcal + -gamma 9 0 Fe+3 + e- = Fe+2 - log_k 13.032 - delta_h -10 kcal - -gamma 6.0 0.0 + log_k 13.032 + delta_h -10 kcal + -gamma 6 0 Hg(OH)2 = Hg(OH)2 - log_k 0 - delta_h 0 kcal -2Hg(OH)2 + 4H+ + 2e- = Hg2+2 + 4H2O - log_k 42.987 - delta_h -63.59 kcal - -gamma 4.0 0.0 -0.5Hg2+2 + e- = Hg - log_k 6.9316 + log_k 0 + delta_h 0 kcal +2 Hg(OH)2 + 4 H+ + 2 e- = Hg2+2 + 4 H2O + log_k 42.987 + delta_h -63.59 kcal + -gamma 4 0 +0.5 Hg2+2 + e- = Hg + log_k 6.9316 delta_h -16.605 kcal I- = I- - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal K+ = K+ - log_k 0 - delta_h 0 kcal - -gamma 3.0 .015 + log_k 0 + delta_h 0 kcal + -gamma 3 .015 Li+ = Li+ - log_k 0 - delta_h 0 kcal - -gamma 6.0 0.0 + log_k 0 + delta_h 0 kcal + -gamma 6 0 Mg+2 = Mg+2 - log_k 0 - delta_h 0 kcal - -gamma 6.5 .20 -Mn+2 + 4H2O = MnO4- + 8H+ + 5e- - log_k -127.824 - delta_h 176.62 kcal - -gamma 3.0 0 -Mn+2 + 4H2O = MnO4-2 + 8H+ + 4e- - log_k -118.44 - delta_h 150.02 kcal - -gamma 5.0 0 + log_k 0 + delta_h 0 kcal + -gamma 6.5 .2 +Mn+2 + 4 H2O = MnO4- + 8 H+ + 5 e- + log_k -127.824 + delta_h 176.62 kcal + -gamma 3 0 +Mn+2 + 4 H2O = MnO4-2 + 8 H+ + 4 e- + log_k -118.44 + delta_h 150.02 kcal + -gamma 5 0 Mn+3 = Mn+3 - log_k 0 - delta_h 0 kcal - -gamma 9.0 0.0 + log_k 0 + delta_h 0 kcal + -gamma 9 0 Mn+3 + e- = Mn+2 - log_k 25.507 - delta_h 25.76 kcal - -gamma 6.0 0.0 + log_k 25.507 + delta_h 25.76 kcal + -gamma 6 0 NO3- = NO3- - log_k 0 - delta_h 0 kcal - -gamma 3.0 0.0 -NO3- + 2H+ + 2e- = NO2- + H2O - log_k 28.57 - delta_h -43.76 kcal -NO3- + 10H+ + 8e- = NH4+ + 3H2O - log_k 119.077 - delta_h -187.055 kcal - -gamma 2.5 0.0 + log_k 0 + delta_h 0 kcal + -gamma 3 0 +NO3- + 2 H+ + 2 e- = NO2- + H2O + log_k 28.57 + delta_h -43.76 kcal +NO3- + 10 H+ + 8 e- = NH4+ + 3 H2O + log_k 119.077 + delta_h -187.055 kcal + -gamma 2.5 0 Na+ = Na+ - log_k 0 - delta_h 0 kcal - -gamma 4.0 .075 + log_k 0 + delta_h 0 kcal + -gamma 4 .075 Ni+2 = Ni+2 - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal PO4-3 = PO4-3 - log_k 0 - delta_h 0 kcal - -gamma 5.0 0.0 + log_k 0 + delta_h 0 kcal + -gamma 5 0 Pb+2 = Pb+2 - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Rb+ = Rb+ - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal SO4-2 = SO4-2 - log_k 0 - delta_h 0 kcal - -gamma 4.0 -.04 -SO4-2 + 9H+ + 8e- = HS- + 4H2O - log_k 33.66 - delta_h -60.14 kcal - -gamma 3.5 0.0 + log_k 0 + delta_h 0 kcal + -gamma 4 -.04 +SO4-2 + 9 H+ + 8 e- = HS- + 4 H2O + log_k 33.66 + delta_h -60.14 kcal + -gamma 3.5 0 Sb(OH)6- = Sb(OH)6- - log_k 0 - delta_h 0 kcal -Sb(OH)6- + 2e- + 3H+ = Sb(OH)3 + 3H2O - log_k 25.7791 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal +Sb(OH)6- + 2 e- + 3 H+ = Sb(OH)3 + 3 H2O + log_k 25.7791 + delta_h 0 kcal SeO4-2 = SeO4-2 - log_k 0 - delta_h 0 kcal - -gamma 4.0 0.0 -HSeO3- + 6e- + 6H+ = HSe- + 3H2O - log_k 35.38 - delta_h -78.17 kcal -SeO4-2 + 2e- + 3H+ = HSeO3- + H2O - log_k 36.319 + log_k 0 + delta_h 0 kcal + -gamma 4 0 +HSeO3- + 6 e- + 6 H+ = HSe- + 3 H2O + log_k 35.38 + delta_h -78.17 kcal +SeO4-2 + 2 e- + 3 H+ = HSeO3- + H2O + log_k 36.319 delta_h -48.095 kcal H4SiO4 = H4SiO4 - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Sr+2 = Sr+2 - log_k 0 - delta_h 0 kcal - -gamma 5.0 0.0 + log_k 0 + delta_h 0 kcal + -gamma 5 0 Tl(OH)3 = Tl(OH)3 - log_k 0 - delta_h 0 kcal -Tl(OH)3 + 2e- + 3H+ = Tl+ + 3H2O - log_k 48.0178 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal +Tl(OH)3 + 2 e- + 3 H+ = Tl+ + 3 H2O + log_k 48.0178 + delta_h 0 kcal UO2+2 = UO2+2 - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal UO2+2 + e- = UO2+ - log_k 2.785 - delta_h -3.3 kcal -UO2+2 + 2e- + 4H+ = U+4 + 2H2O - log_k 9.216 - delta_h -34.43 kcal -UO2+2 + 3e- + 4H+ = U+3 + 2H2O - log_k 0.42 - delta_h -10.03 kcal + log_k 2.785 + delta_h -3.3 kcal +UO2+2 + 2 e- + 4 H+ = U+4 + 2 H2O + log_k 9.216 + delta_h -34.43 kcal +UO2+2 + 3 e- + 4 H+ = U+3 + 2 H2O + log_k 0.42 + delta_h -10.03 kcal VO2+ = VO2+ - log_k 0 - delta_h 0 kcal -VO2+ + e- + 2H+ = VO+2 + H2O - log_k 16.93 - delta_h -29.32 kcal -VO2+ + 2e- + 4H+ = V+3 + 2H2O - log_k 22.61 - delta_h -44.23 kcal -VO2+ + 3e- + 4H+ = V+2 + 2H2O - log_k 18.38 - delta_h -35.33 kcal + log_k 0 + delta_h 0 kcal +VO2+ + e- + 2 H+ = VO+2 + H2O + log_k 16.93 + delta_h -29.32 kcal +VO2+ + 2 e- + 4 H+ = V+3 + 2 H2O + log_k 22.61 + delta_h -44.23 kcal +VO2+ + 3 e- + 4 H+ = V+2 + 2 H2O + log_k 18.38 + delta_h -35.33 kcal Zn+2 = Zn+2 - log_k 0 - delta_h 0 kcal - -gamma 6.0 0.0 + log_k 0 + delta_h 0 kcal + -gamma 6 0 Benzoate- = Benzoate- - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Para_acetate- = Para_acetate- - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Isophthalate-2 = Isophthalate-2 - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Diethylamine = Diethylamine - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Nbutylamine = Nbutylamine - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Methylamine = Methylamine - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Dimethylamine = Dimethylamine - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Tributylphosphate = Tributylphosphate - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Hexylamine = Hexylamine - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Ethylenediamine = Ethylenediamine - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Npropylamine = Npropylamine - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Isopropylamine = Isopropylamine - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Trimethylamine = Trimethylamine - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Citrate-3 = Citrate-3 - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Nta-3 = Nta-3 - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Edta-4 = Edta-4 - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Propanoate- = Propanoate- - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Butanoate- = Butanoate- - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Isobutyrate- = Isobutyrate- - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Two_methylpyridine = Two_methylpyridine - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Three_methylpyridine = Three_methylpyridine - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Four_methylpyridine = Four_methylpyridine - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Formate- = Formate- - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Isovalerate- = Isovalerate- - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Valerate- = Valerate- - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Acetate- = Acetate- - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Tartrate-2 = Tartrate-2 - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Glycine- = Glycine- - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Salicylate-2 = Salicylate-2 - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Glutamate-2 = Glutamate-2 - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Phthalate-2 = Phthalate-2 - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal SOLUTION_SPECIES H2O = OH- + H+ - log_k -13.998 - delta_h 13.345 kcal - -gamma 3.5 0 + log_k -13.998 + delta_h 13.345 kcal + -gamma 3.5 0 H4SiO4 = H3SiO4- + H+ - log_k -9.93 - delta_h 8.935 kcal - -gamma 4 0 - -analytical 6.368 -0.016346 -3405.9 -H4SiO4 = H2SiO4-2 + 2H+ - log_k -21.619 - delta_h 29.714 kcal - -gamma 5.4 0 - -analytical 39.478 -0.065927 -12355.1 -H4SiO4 + 6F- + 4H+ = SiF6-2 + 4H2O - log_k 30.18 - delta_h -16.26 kcal - -gamma 5 0 + log_k -9.93 + delta_h 8.935 kcal + -gamma 4 0 + -analytical 6.368 -0.016346 -3405.9 +H4SiO4 = H2SiO4-2 + 2 H+ + log_k -21.619 + delta_h 29.714 kcal + -gamma 5.4 0 + -analytical 39.478 -0.065927 -12355.1 +H4SiO4 + 6 F- + 4 H+ = SiF6-2 + 4 H2O + log_k 30.18 + delta_h -16.26 kcal + -gamma 5 0 H3BO3 = H2BO3- + H+ - log_k -9.24 - delta_h 3.224 kcal - -gamma 2.5 0 - -analytical 24.3919 0.012078 -1343.9 -13.2258 + log_k -9.24 + delta_h 3.224 kcal + -gamma 2.5 0 + -analytical 24.3919 0.012078 -1343.9 -13.2258 H3BO3 + F- = BF(OH)3- - log_k -0.399 - delta_h 1.85 kcal - -gamma 2.5 0 -H3BO3 + 2F- + H+ = BF2(OH)2- + H2O - log_k 7.63 - delta_h 1.635 kcal - -gamma 2.5 0 -H3BO3 + 3F- + 2H+ = BF3OH- + 2H2O - log_k 13.667 - delta_h -1.58 kcal - -gamma 2.5 0 -H3BO3 + 4F- + 3H+ = BF4- + 3H2O - log_k 20.274 - delta_h -1.795 kcal - -gamma 2.5 0 + log_k -0.399 + delta_h 1.85 kcal + -gamma 2.5 0 +H3BO3 + 2 F- + H+ = BF2(OH)2- + H2O + log_k 7.63 + delta_h 1.635 kcal + -gamma 2.5 0 +H3BO3 + 3 F- + 2 H+ = BF3OH- + 2 H2O + log_k 13.667 + delta_h -1.58 kcal + -gamma 2.5 0 +H3BO3 + 4 F- + 3 H+ = BF4- + 3 H2O + log_k 20.274 + delta_h -1.795 kcal + -gamma 2.5 0 NH4+ = NH3 + H+ - log_k -9.252 - delta_h 12.48 kcal - -analytical 0.6322 -0.001225 -2835.76 + log_k -9.252 + delta_h 12.48 kcal + -analytical 0.6322 -0.001225 -2835.76 NH4+ + SO4-2 = NH4SO4- - log_k 1.11 - delta_h 0 kcal - -gamma 5 0 + log_k 1.11 + delta_h 0 kcal + -gamma 5 0 Mg+2 + H2O = MgOH+ + H+ - log_k -11.79 - delta_h 15.935 kcal - -gamma 6.5 0 - -analytical -3.53 0.00513 -2917.1 + log_k -11.79 + delta_h 15.935 kcal + -gamma 6.5 0 + -analytical -3.53 0.00513 -2917.1 Mg+2 + F- = MgF+ - log_k 1.82 - delta_h 4.674 kcal - -gamma 4.5 0 + log_k 1.82 + delta_h 4.674 kcal + -gamma 4.5 0 Mg+2 + CO3-2 = MgCO3 - log_k 2.98 - delta_h 2.022 kcal - -analytical 0.991 0.00667 + log_k 2.98 + delta_h 2.022 kcal + -analytical 0.991 0.00667 Mg+2 + CO3-2 + H+ = MgHCO3+ - log_k 11.4 - delta_h -2.43 kcal - -gamma 4 0 -# Minteq a_e has more constants than phreeqc, can not use + log_k 11.4 + delta_h -2.43 kcal + -gamma 4 0 +# Minteq a_e has more constants than phreeqc, can not use # -analytical_expression -4.179 0.012734 2902.39 0.0 2.29812E-5 Mg+2 + SO4-2 = MgSO4 - log_k 2.25 - delta_h 1.399 kcal + log_k 2.25 + delta_h 1.399 kcal Mg+2 + PO4-3 = MgPO4- - log_k 6.589 - delta_h 3.1 kcal - -gamma 5.4 0 -Mg+2 + PO4-3 + 2H+ = MgH2PO4+ - log_k 21.066 - delta_h -1.12 kcal - -gamma 5.4 0 + log_k 6.589 + delta_h 3.1 kcal + -gamma 5.4 0 +Mg+2 + PO4-3 + 2 H+ = MgH2PO4+ + log_k 21.066 + delta_h -1.12 kcal + -gamma 5.4 0 Mg+2 + PO4-3 + H+ = MgHPO4 - log_k 15.22 - delta_h -0.23 kcal + log_k 15.22 + delta_h -0.23 kcal Ca+2 + H2O = CaOH+ + H+ - log_k -12.598 - delta_h 14.535 kcal - -gamma 6 0 + log_k -12.598 + delta_h 14.535 kcal + -gamma 6 0 Ca+2 + CO3-2 + H+ = CaHCO3+ - log_k 11.33 - delta_h 1.79 kcal - -gamma 6 0 - -analytical -9.448 0.03709 2902.39 + log_k 11.33 + delta_h 1.79 kcal + -gamma 6 0 + -analytical -9.448 0.03709 2902.39 Ca+2 + CO3-2 = CaCO3 - log_k 3.15 - delta_h 4.03 kcal - -analytical -27.393 0.05617 4114.0 + log_k 3.15 + delta_h 4.03 kcal + -analytical -27.393 0.05617 4114 Ca+2 + SO4-2 = CaSO4 - log_k 2.309 - delta_h 1.47 kcal + log_k 2.309 + delta_h 1.47 kcal Ca+2 + PO4-3 + H+ = CaHPO4 - log_k 15.085 - delta_h -0.23 kcal + log_k 15.085 + delta_h -0.23 kcal Ca+2 + PO4-3 = CaPO4- - log_k 6.459 - delta_h 3.1 kcal - -gamma 5.4 0 -Ca+2 + PO4-3 + 2H+ = CaH2PO4+ - log_k 20.96 - delta_h -1.12 kcal - -gamma 5.4 0 + log_k 6.459 + delta_h 3.1 kcal + -gamma 5.4 0 +Ca+2 + PO4-3 + 2 H+ = CaH2PO4+ + log_k 20.96 + delta_h -1.12 kcal + -gamma 5.4 0 Ca+2 + F- = CaF+ - log_k 0.94 - delta_h 3.798 kcal - -gamma 5 0 + log_k 0.94 + delta_h 3.798 kcal + -gamma 5 0 Na+ + CO3-2 = NaCO3- - log_k 1.268 - delta_h 8.911 kcal - -gamma 5.4 0 + log_k 1.268 + delta_h 8.911 kcal + -gamma 5.4 0 Na+ + CO3-2 + H+ = NaHCO3 - log_k 10.08 - delta_h 0 kcal + log_k 10.08 + delta_h 0 kcal Na+ + SO4-2 = NaSO4- - log_k 0.7 - delta_h 1.12 kcal - -gamma 5.4 0 + log_k 0.7 + delta_h 1.12 kcal + -gamma 5.4 0 Na+ + PO4-3 + H+ = NaHPO4- - log_k 12.636 - delta_h 0 kcal - -gamma 5.4 0 + log_k 12.636 + delta_h 0 kcal + -gamma 5.4 0 Na+ + F- = NaF - log_k -0.79 - delta_h 0 kcal + log_k -0.79 + delta_h 0 kcal K+ + SO4-2 = KSO4- - log_k 0.85 - delta_h 2.25 kcal - -gamma 5.4 0 - -analytical 3.106 0.00 -673.6 + log_k 0.85 + delta_h 2.25 kcal + -gamma 5.4 0 + -analytical 3.106 0 -673.6 K+ + PO4-3 + H+ = KHPO4- - log_k 12.64 - -gamma 5.4 0 - delta_h 0 kcal + log_k 12.64 + -gamma 5.4 0 + delta_h 0 kcal Al+3 + H2O = AlOH+2 + H+ - log_k -4.99 - delta_h 11.899 kcal - -gamma 5.4 0 -Al+3 + 2H2O = Al(OH)2+ + 2H+ - log_k -10.1 - delta_h 0 kcal - -gamma 5.4 0 -Al+3 + 4H2O = Al(OH)4- + 4H+ - log_k -23 - delta_h 44.06 kcal - -gamma 4.5 0 + log_k -4.99 + delta_h 11.899 kcal + -gamma 5.4 0 +Al+3 + 2 H2O = Al(OH)2+ + 2 H+ + log_k -10.1 + delta_h 0 kcal + -gamma 5.4 0 +Al+3 + 4 H2O = Al(OH)4- + 4 H+ + log_k -23 + delta_h 44.06 kcal + -gamma 4.5 0 Al+3 + F- = AlF+2 - log_k 7.01 - delta_h 0 kcal - -gamma 5.4 0 -Al+3 + 2F- = AlF2+ - log_k 12.75 - delta_h 20 kcal - -gamma 5.4 0 -Al+3 + 3F- = AlF3 - log_k 17.02 - delta_h 2.5 kcal -Al+3 + 4F- = AlF4- - log_k 19.72 - delta_h 0 kcal - -gamma 4.5 0 + log_k 7.01 + delta_h 0 kcal + -gamma 5.4 0 +Al+3 + 2 F- = AlF2+ + log_k 12.75 + delta_h 20 kcal + -gamma 5.4 0 +Al+3 + 3 F- = AlF3 + log_k 17.02 + delta_h 2.5 kcal +Al+3 + 4 F- = AlF4- + log_k 19.72 + delta_h 0 kcal + -gamma 4.5 0 Al+3 + SO4-2 = AlSO4+ - log_k 3.02 - delta_h 2.15 kcal - -gamma 4.5 0 -Al+3 + 2SO4-2 = Al(SO4)2- - log_k 4.92 - delta_h 2.84 kcal - -gamma 4.5 0 -Al+3 + 3H2O = Al(OH)3 + 3H+ - log_k -16 - delta_h 0 kcal + log_k 3.02 + delta_h 2.15 kcal + -gamma 4.5 0 +Al+3 + 2 SO4-2 = Al(SO4)2- + log_k 4.92 + delta_h 2.84 kcal + -gamma 4.5 0 +Al+3 + 3 H2O = Al(OH)3 + 3 H+ + log_k -16 + delta_h 0 kcal Fe+2 + H2O = FeOH+ + H+ - log_k -9.5 - delta_h 13.199 kcal - -gamma 5 0 -Fe+2 + 3H2O = Fe(OH)3- + 3H+ - log_k -31 - delta_h 30.3 kcal - -gamma 5 0 + log_k -9.5 + delta_h 13.199 kcal + -gamma 5 0 +Fe+2 + 3 H2O = Fe(OH)3- + 3 H+ + log_k -31 + delta_h 30.3 kcal + -gamma 5 0 Fe+2 + SO4-2 = FeSO4 - log_k 2.25 - delta_h 3.23 kcal -Fe+2 + PO4-3 + 2H+ = FeH2PO4+ - log_k 22.253 - delta_h 0 kcal - -gamma 5.4 0 -Fe+2 + 2H2O = Fe(OH)2 + 2H+ - log_k -20.57 - delta_h 28.565 kcal + log_k 2.25 + delta_h 3.23 kcal +Fe+2 + PO4-3 + 2 H+ = FeH2PO4+ + log_k 22.253 + delta_h 0 kcal + -gamma 5.4 0 +Fe+2 + 2 H2O = Fe(OH)2 + 2 H+ + log_k -20.57 + delta_h 28.565 kcal Fe+2 + PO4-3 + H+ = FeHPO4 - log_k 15.95 - delta_h 0 kcal -Fe+2 + 2HS- = Fe(HS)2 - log_k 8.95 - delta_h 0 kcal -Fe+2 + 3HS- = Fe(HS)3- - log_k 10.987 - delta_h 0 kcal + log_k 15.95 + delta_h 0 kcal +Fe+2 + 2 HS- = Fe(HS)2 + log_k 8.95 + delta_h 0 kcal +Fe+2 + 3 HS- = Fe(HS)3- + log_k 10.987 + delta_h 0 kcal Fe+3 + H2O = FeOH+2 + H+ - log_k -2.19 - delta_h 10.399 kcal - -gamma 5 0 + log_k -2.19 + delta_h 10.399 kcal + -gamma 5 0 Fe+3 + PO4-3 + H+ = FeHPO4+ - log_k 17.78 - delta_h -7.3 kcal - -gamma 5.4 0 + log_k 17.78 + delta_h -7.3 kcal + -gamma 5.4 0 Fe+3 + SO4-2 = FeSO4+ - log_k 3.92 - delta_h 3.91 kcal - -gamma 5 0 + log_k 3.92 + delta_h 3.91 kcal + -gamma 5 0 Fe+3 + Cl- = FeCl+2 - log_k 1.48 - delta_h 5.6 kcal - -gamma 5 0 -Fe+3 + 2Cl- = FeCl2+ - log_k 2.13 - delta_h 0 kcal - -gamma 5 0 -Fe+3 + 3Cl- = FeCl3 - log_k 1.13 - delta_h 0 kcal -Fe+3 + 2H2O = Fe(OH)2+ + 2H+ - log_k -5.67 - delta_h 0 kcal - -gamma 5.4 0 -Fe+3 + 3H2O = Fe(OH)3 + 3H+ - log_k -13.6 - delta_h 0 kcal -Fe+3 + 4H2O = Fe(OH)4- + 4H+ - log_k -21.6 - delta_h 0 kcal - -gamma 5.4 0 -Fe+3 + PO4-3 + 2H+ = FeH2PO4+2 - log_k 24.98 - delta_h 0 kcal - -gamma 5.4 0 + log_k 1.48 + delta_h 5.6 kcal + -gamma 5 0 +Fe+3 + 2 Cl- = FeCl2+ + log_k 2.13 + delta_h 0 kcal + -gamma 5 0 +Fe+3 + 3 Cl- = FeCl3 + log_k 1.13 + delta_h 0 kcal +Fe+3 + 2 H2O = Fe(OH)2+ + 2 H+ + log_k -5.67 + delta_h 0 kcal + -gamma 5.4 0 +Fe+3 + 3 H2O = Fe(OH)3 + 3 H+ + log_k -13.6 + delta_h 0 kcal +Fe+3 + 4 H2O = Fe(OH)4- + 4 H+ + log_k -21.6 + delta_h 0 kcal + -gamma 5.4 0 +Fe+3 + PO4-3 + 2 H+ = FeH2PO4+2 + log_k 24.98 + delta_h 0 kcal + -gamma 5.4 0 Fe+3 + F- = FeF+2 - log_k 6.199 - delta_h 2.699 kcal - -gamma 5 0 -Fe+3 + 2F- = FeF2+ - log_k 10.8 - delta_h 4.8 kcal - -gamma 5 0 -Fe+3 + 3F- = FeF3 - log_k 14 - delta_h 5.399 kcal -Fe+3 + 2SO4-2 = Fe(SO4)2- - log_k 5.42 - delta_h 4.6 kcal -2Fe+3 + 2H2O = Fe2(OH)2+4 + 2H+ - log_k -2.95 - delta_h 13.5 kcal -3Fe+3 + 4H2O = Fe3(OH)4+5 + 4H+ - log_k -6.3 - delta_h 14.3 kcal + log_k 6.199 + delta_h 2.699 kcal + -gamma 5 0 +Fe+3 + 2 F- = FeF2+ + log_k 10.8 + delta_h 4.8 kcal + -gamma 5 0 +Fe+3 + 3 F- = FeF3 + log_k 14 + delta_h 5.399 kcal +Fe+3 + 2 SO4-2 = Fe(SO4)2- + log_k 5.42 + delta_h 4.6 kcal +2 Fe+3 + 2 H2O = Fe2(OH)2+4 + 2 H+ + log_k -2.95 + delta_h 13.5 kcal +3 Fe+3 + 4 H2O = Fe3(OH)4+5 + 4 H+ + log_k -6.3 + delta_h 14.3 kcal Li+ + SO4-2 = LiSO4- - log_k 0.64 - delta_h 0 kcal - -gamma 5 0 + log_k 0.64 + delta_h 0 kcal + -gamma 5 0 Sr+2 + H2O = SrOH+ + H+ - log_k -13.178 - delta_h 14.495 kcal - -gamma 5 0 + log_k -13.178 + delta_h 14.495 kcal + -gamma 5 0 Ba+2 + H2O = BaOH+ + H+ - log_k -13.358 - delta_h 15.095 kcal - -gamma 5 0 + log_k -13.358 + delta_h 15.095 kcal + -gamma 5 0 Mn+2 + Cl- = MnCl+ - log_k 0.607 - delta_h 0 kcal - -gamma 5 0 -Mn+2 + 2Cl- = MnCl2 - log_k 0.041 - delta_h 0 kcal -Mn+2 + 3Cl- = MnCl3- - log_k -0.305 - delta_h 0 kcal - -gamma 5 0 + log_k 0.607 + delta_h 0 kcal + -gamma 5 0 +Mn+2 + 2 Cl- = MnCl2 + log_k 0.041 + delta_h 0 kcal +Mn+2 + 3 Cl- = MnCl3- + log_k -0.305 + delta_h 0 kcal + -gamma 5 0 Mn+2 + H2O = MnOH+ + H+ - log_k -10.59 - delta_h 14.399 kcal - -gamma 5 0 -Mn+2 + 3H2O = Mn(OH)3- + 3H+ - log_k -34.8 - delta_h 0 kcal - -gamma 5 0 + log_k -10.59 + delta_h 14.399 kcal + -gamma 5 0 +Mn+2 + 3 H2O = Mn(OH)3- + 3 H+ + log_k -34.8 + delta_h 0 kcal + -gamma 5 0 Mn+2 + F- = MnF+ - log_k 0.85 - delta_h 0 kcal - -gamma 5 0 + log_k 0.85 + delta_h 0 kcal + -gamma 5 0 Mn+2 + SO4-2 = MnSO4 - log_k 2.26 - delta_h 2.17 kcal -Mn+2 + 2NO3- = Mn(NO3)2 - log_k 0.6 - delta_h -0.396 kcal + log_k 2.26 + delta_h 2.17 kcal +Mn+2 + 2 NO3- = Mn(NO3)2 + log_k 0.6 + delta_h -0.396 kcal Mn+2 + CO3-2 + H+ = MnHCO3+ - log_k 11.6 - delta_h 0 kcal - -gamma 5 0 -Cu+ + 2Cl- = CuCl2- - log_k 5.5 - delta_h -0.42 kcal - -gamma 4 0 -Cu+ + 3Cl- = CuCl3-2 - log_k 5.7 - delta_h 0.26 kcal - -gamma 5 0 -Cu+ + 2HS- = Cu(S4)2-3 + 2H+ - log_k 3.39 - delta_h 0 kcal - -gamma 23 0 + log_k 11.6 + delta_h 0 kcal + -gamma 5 0 +Cu+ + 2 Cl- = CuCl2- + log_k 5.5 + delta_h -0.42 kcal + -gamma 4 0 +Cu+ + 3 Cl- = CuCl3-2 + log_k 5.7 + delta_h 0.26 kcal + -gamma 5 0 +Cu+ + 2 HS- = Cu(S4)2-3 + 2 H+ + log_k 3.39 + delta_h 0 kcal + -gamma 23 0 -no_check -mass_balance Cu(1)(S(-2)4)2 -Cu+ + 2HS- = CuS4S5-3 + 2H+ - log_k 2.66 - delta_h 0 kcal - -gamma 25 0 +Cu+ + 2 HS- = CuS4S5-3 + 2 H+ + log_k 2.66 + delta_h 0 kcal + -gamma 25 0 -no_check -mass_balance Cu(1)S(-2)4S(-2)5 Cu+2 + Acetate- = CuAcetate+ - log_k 2.22 - delta_h 0 kcal + log_k 2.22 + delta_h 0 kcal Cu+2 + Glycine- = CuGlycine+ - log_k 8.62 - delta_h 0 kcal -2Cu+2 + Glycine- = Cu2Glycine+3 - log_k 15.64 - delta_h 0 kcal + log_k 8.62 + delta_h 0 kcal +2 Cu+2 + Glycine- = Cu2Glycine+3 + log_k 15.64 + delta_h 0 kcal Cu+2 + Salicylate-2 = CuSalicylate - log_k 10.64 - delta_h 0 kcal -2Cu+2 + Salicylate-2 = Cu2Salicylate+2 - log_k 16.94 - delta_h 0 kcal + log_k 10.64 + delta_h 0 kcal +2 Cu+2 + Salicylate-2 = Cu2Salicylate+2 + log_k 16.94 + delta_h 0 kcal Cu+2 + Glutamate-2 = CuGlutamate - log_k 8.33 - delta_h 0 kcal -2Cu+2 + Glutamate-2 = Cu2Glutamate+2 - log_k 14.84 - delta_h 0 kcal -2Cu+2 + Phthalate-2 = Cu2Phthalate+2 - log_k 5.3 - delta_h 0 kcal + log_k 8.33 + delta_h 0 kcal +2 Cu+2 + Glutamate-2 = Cu2Glutamate+2 + log_k 14.84 + delta_h 0 kcal +2 Cu+2 + Phthalate-2 = Cu2Phthalate+2 + log_k 5.3 + delta_h 0 kcal Cu+2 + CO3-2 = CuCO3 - log_k 6.73 - delta_h 0 kcal -Cu+2 + 2CO3-2 = Cu(CO3)2-2 - log_k 9.83 - delta_h 0 kcal + log_k 6.73 + delta_h 0 kcal +Cu+2 + 2 CO3-2 = Cu(CO3)2-2 + log_k 9.83 + delta_h 0 kcal Cu+2 + Cl- = CuCl+ - log_k 0.43 - delta_h 8.65 kcal - -gamma 4 0 -Cu+2 + 2Cl- = CuCl2 - log_k 0.16 - delta_h 10.56 kcal -Cu+2 + 3Cl- = CuCl3- - log_k -2.29 - delta_h 13.69 kcal - -gamma 4 0 -Cu+2 + 4Cl- = CuCl4-2 - log_k -4.59 - delta_h 7.78 kcal - -gamma 5 0 + log_k 0.43 + delta_h 8.65 kcal + -gamma 4 0 +Cu+2 + 2 Cl- = CuCl2 + log_k 0.16 + delta_h 10.56 kcal +Cu+2 + 3 Cl- = CuCl3- + log_k -2.29 + delta_h 13.69 kcal + -gamma 4 0 +Cu+2 + 4 Cl- = CuCl4-2 + log_k -4.59 + delta_h 7.78 kcal + -gamma 5 0 Cu+2 + F- = CuF+ - log_k 1.26 - delta_h 1.62 kcal + log_k 1.26 + delta_h 1.62 kcal Cu+2 + H2O = CuOH+ + H+ - log_k -8 - delta_h 0 kcal - -gamma 4 0 -Cu+2 + 2H2O = Cu(OH)2 + 2H+ - log_k -13.68 - delta_h 0 kcal -Cu+2 + 3H2O = Cu(OH)3- + 3H+ - log_k -26.899 - delta_h 0 kcal -Cu+2 + 4H2O = Cu(OH)4-2 + 4H+ - log_k -39.6 - delta_h 0 kcal -2Cu+2 + 2H2O = Cu2(OH)2+2 + 2H+ - log_k -10.359 - delta_h 17.539 kcal - -analytical 2.497 0.0 -3833.0 + log_k -8 + delta_h 0 kcal + -gamma 4 0 +Cu+2 + 2 H2O = Cu(OH)2 + 2 H+ + log_k -13.68 + delta_h 0 kcal +Cu+2 + 3 H2O = Cu(OH)3- + 3 H+ + log_k -26.899 + delta_h 0 kcal +Cu+2 + 4 H2O = Cu(OH)4-2 + 4 H+ + log_k -39.6 + delta_h 0 kcal +2 Cu+2 + 2 H2O = Cu2(OH)2+2 + 2 H+ + log_k -10.359 + delta_h 17.539 kcal + -analytical 2.497 0 -3833 Cu+2 + SO4-2 = CuSO4 - log_k 2.31 - delta_h 1.22 kcal -Cu+2 + 3HS- = Cu(HS)3- - log_k 25.899 - delta_h 0 kcal + log_k 2.31 + delta_h 1.22 kcal +Cu+2 + 3 HS- = Cu(HS)3- + log_k 25.899 + delta_h 0 kcal Cu+2 + CO3-2 + H+ = CuHCO3+ - log_k 13 - delta_h 0 kcal + log_k 13 + delta_h 0 kcal Zn+2 + Cl- = ZnCl+ - log_k 0.43 - delta_h 7.79 kcal - -gamma 4 0 -Zn+2 + 2Cl- = ZnCl2 - log_k 0.45 - delta_h 8.5 kcal -Zn+2 + 3Cl- = ZnCl3- - log_k 0.5 - delta_h 9.56 kcal - -gamma 4 0 -Zn+2 + 4Cl- = ZnCl4-2 - log_k 0.199 - delta_h 10.96 kcal - -gamma 5 0 + log_k 0.43 + delta_h 7.79 kcal + -gamma 4 0 +Zn+2 + 2 Cl- = ZnCl2 + log_k 0.45 + delta_h 8.5 kcal +Zn+2 + 3 Cl- = ZnCl3- + log_k 0.5 + delta_h 9.56 kcal + -gamma 4 0 +Zn+2 + 4 Cl- = ZnCl4-2 + log_k 0.199 + delta_h 10.96 kcal + -gamma 5 0 Zn+2 + F- = ZnF+ - log_k 1.15 - delta_h 2.22 kcal + log_k 1.15 + delta_h 2.22 kcal Zn+2 + H2O = ZnOH+ + H+ - log_k -8.96 - delta_h 13.399 kcal -Zn+2 + 2H2O = Zn(OH)2 + 2H+ - log_k -16.899 - delta_h 0 kcal -Zn+2 + 3H2O = Zn(OH)3- + 3H+ - log_k -28.399 - delta_h 0 kcal -Zn+2 + 4H2O = Zn(OH)4-2 + 4H+ - log_k -41.199 - delta_h 0 kcal + log_k -8.96 + delta_h 13.399 kcal +Zn+2 + 2 H2O = Zn(OH)2 + 2 H+ + log_k -16.899 + delta_h 0 kcal +Zn+2 + 3 H2O = Zn(OH)3- + 3 H+ + log_k -28.399 + delta_h 0 kcal +Zn+2 + 4 H2O = Zn(OH)4-2 + 4 H+ + log_k -41.199 + delta_h 0 kcal Zn+2 + H2O + Cl- = ZnOHCl + H+ - log_k -7.48 - delta_h 0 kcal -Zn+2 + 2HS- = Zn(HS)2 - log_k 14.94 - delta_h 0 kcal -Zn+2 + 3HS- = Zn(HS)3- - log_k 16.1 - delta_h 0 kcal + log_k -7.48 + delta_h 0 kcal +Zn+2 + 2 HS- = Zn(HS)2 + log_k 14.94 + delta_h 0 kcal +Zn+2 + 3 HS- = Zn(HS)3- + log_k 16.1 + delta_h 0 kcal Zn+2 + SO4-2 = ZnSO4 - log_k 2.37 - delta_h 1.36 kcal -Zn+2 + 2SO4-2 = Zn(SO4)2-2 - log_k 3.28 - delta_h 0 kcal + log_k 2.37 + delta_h 1.36 kcal +Zn+2 + 2 SO4-2 = Zn(SO4)2-2 + log_k 3.28 + delta_h 0 kcal Zn+2 + Br- = ZnBr+ - log_k -0.58 - delta_h 0 kcal -Zn+2 + 2Br- = ZnBr2 - log_k -0.98 - delta_h 0 kcal + log_k -0.58 + delta_h 0 kcal +Zn+2 + 2 Br- = ZnBr2 + log_k -0.98 + delta_h 0 kcal Zn+2 + I- = ZnI+ - log_k -2.91 - delta_h 0 kcal -Zn+2 + 2I- = ZnI2 - log_k -1.69 - delta_h 0 kcal + log_k -2.91 + delta_h 0 kcal +Zn+2 + 2 I- = ZnI2 + log_k -1.69 + delta_h 0 kcal Zn+2 + CO3-2 + H+ = ZnHCO3+ - log_k 12.4 - delta_h 0 kcal + log_k 12.4 + delta_h 0 kcal Zn+2 + CO3-2 = ZnCO3 - log_k 5.3 - delta_h 0 kcal -Zn+2 + 2CO3-2 = Zn(CO3)2-2 - log_k 9.63 - delta_h 0 kcal + log_k 5.3 + delta_h 0 kcal +Zn+2 + 2 CO3-2 = Zn(CO3)2-2 + log_k 9.63 + delta_h 0 kcal Cd+2 + Cl- = CdCl+ - log_k 1.98 - delta_h 0.59 kcal -Cd+2 + 2Cl- = CdCl2 - log_k 2.6 - delta_h 1.24 kcal -Cd+2 + 3Cl- = CdCl3- - log_k 2.399 - delta_h 3.9 kcal + log_k 1.98 + delta_h 0.59 kcal +Cd+2 + 2 Cl- = CdCl2 + log_k 2.6 + delta_h 1.24 kcal +Cd+2 + 3 Cl- = CdCl3- + log_k 2.399 + delta_h 3.9 kcal Cd+2 + F- = CdF+ - log_k 1.1 - delta_h 0 kcal -Cd+2 + 2F- = CdF2 - log_k 1.5 - delta_h 0 kcal -Cd+2 + 3CO3-2 = Cd(CO3)3-4 - log_k 6.22 - delta_h 0 kcal + log_k 1.1 + delta_h 0 kcal +Cd+2 + 2 F- = CdF2 + log_k 1.5 + delta_h 0 kcal +Cd+2 + 3 CO3-2 = Cd(CO3)3-4 + log_k 6.22 + delta_h 0 kcal Cd+2 + H2O = CdOH+ + H+ - log_k -10.08 - delta_h 13.1 kcal -Cd+2 + 2H2O = Cd(OH)2 + 2H+ - log_k -20.35 - delta_h 0 kcal -Cd+2 + 3H2O = Cd(OH)3- + 3H+ - log_k -33.3 - delta_h 0 kcal -Cd+2 + 4H2O = Cd(OH)4-2 + 4H+ - log_k -47.35 - delta_h 0 kcal -2Cd+2 + H2O = Cd2OH+3 + H+ - log_k -9.39 - delta_h 10.899 kcal + log_k -10.08 + delta_h 13.1 kcal +Cd+2 + 2 H2O = Cd(OH)2 + 2 H+ + log_k -20.35 + delta_h 0 kcal +Cd+2 + 3 H2O = Cd(OH)3- + 3 H+ + log_k -33.3 + delta_h 0 kcal +Cd+2 + 4 H2O = Cd(OH)4-2 + 4 H+ + log_k -47.35 + delta_h 0 kcal +2 Cd+2 + H2O = Cd2OH+3 + H+ + log_k -9.39 + delta_h 10.899 kcal Cd+2 + H2O + Cl- = CdOHCl + H+ - log_k -7.404 - delta_h 4.355 kcal + log_k -7.404 + delta_h 4.355 kcal Cd+2 + NO3- = CdNO3+ - log_k 0.399 - delta_h -5.2 kcal + log_k 0.399 + delta_h -5.2 kcal Cd+2 + SO4-2 = CdSO4 - log_k 2.46 - delta_h 1.08 kcal + log_k 2.46 + delta_h 1.08 kcal Cd+2 + HS- = CdHS+ - log_k 10.17 - delta_h 0 kcal -Cd+2 + 2HS- = Cd(HS)2 - log_k 16.53 - delta_h 0 kcal -Cd+2 + 3HS- = Cd(HS)3- - log_k 18.71 - delta_h 0 kcal -Cd+2 + 4HS- = Cd(HS)4-2 - log_k 20.9 - delta_h 0 kcal + log_k 10.17 + delta_h 0 kcal +Cd+2 + 2 HS- = Cd(HS)2 + log_k 16.53 + delta_h 0 kcal +Cd+2 + 3 HS- = Cd(HS)3- + log_k 18.71 + delta_h 0 kcal +Cd+2 + 4 HS- = Cd(HS)4-2 + log_k 20.9 + delta_h 0 kcal Cd+2 + Br- = CdBr+ - log_k 2.17 - delta_h -0.81 kcal -Cd+2 + 2Br- = CdBr2 - log_k 2.899 - delta_h 0 kcal + log_k 2.17 + delta_h -0.81 kcal +Cd+2 + 2 Br- = CdBr2 + log_k 2.899 + delta_h 0 kcal Cd+2 + I- = CdI+ - log_k 2.15 - delta_h -2.37 kcal -Cd+2 + 2I- = CdI2 - log_k 3.59 - delta_h 0 kcal + log_k 2.15 + delta_h -2.37 kcal +Cd+2 + 2 I- = CdI2 + log_k 3.59 + delta_h 0 kcal Cd+2 + CO3-2 + H+ = CdHCO3+ - log_k 12.4 - delta_h 0 kcal + log_k 12.4 + delta_h 0 kcal Cd+2 + CO3-2 = CdCO3 - log_k 5.399 - delta_h 0 kcal -Cd+2 + 2SO4-2 = Cd(SO4)2-2 - log_k 3.5 - delta_h 0 kcal + log_k 5.399 + delta_h 0 kcal +Cd+2 + 2 SO4-2 = Cd(SO4)2-2 + log_k 3.5 + delta_h 0 kcal Pb+2 + Cl- = PbCl+ - log_k 1.6 - delta_h 4.38 kcal -Pb+2 + 2Cl- = PbCl2 - log_k 1.8 - delta_h 1.08 kcal -Pb+2 + 3Cl- = PbCl3- - log_k 1.699 - delta_h 2.17 kcal -Pb+2 + 4Cl- = PbCl4-2 - log_k 1.38 - delta_h 3.53 kcal -Pb+2 + 2CO3-2 = Pb(CO3)2-2 - log_k 10.64 - delta_h 0 kcal + log_k 1.6 + delta_h 4.38 kcal +Pb+2 + 2 Cl- = PbCl2 + log_k 1.8 + delta_h 1.08 kcal +Pb+2 + 3 Cl- = PbCl3- + log_k 1.699 + delta_h 2.17 kcal +Pb+2 + 4 Cl- = PbCl4-2 + log_k 1.38 + delta_h 3.53 kcal +Pb+2 + 2 CO3-2 = Pb(CO3)2-2 + log_k 10.64 + delta_h 0 kcal Pb+2 + F- = PbF+ - log_k 1.25 - delta_h 0 kcal -Pb+2 + 2F- = PbF2 - log_k 2.56 - delta_h 0 kcal -Pb+2 + 3F- = PbF3- - log_k 3.42 - delta_h 0 kcal -Pb+2 + 4F- = PbF4-2 - log_k 3.1 - delta_h 0 kcal + log_k 1.25 + delta_h 0 kcal +Pb+2 + 2 F- = PbF2 + log_k 2.56 + delta_h 0 kcal +Pb+2 + 3 F- = PbF3- + log_k 3.42 + delta_h 0 kcal +Pb+2 + 4 F- = PbF4-2 + log_k 3.1 + delta_h 0 kcal Pb+2 + H2O = PbOH+ + H+ - log_k -7.71 - delta_h 0 kcal -Pb+2 + 2H2O = Pb(OH)2 + 2H+ - log_k -17.12 - delta_h 0 kcal -Pb+2 + 3H2O = Pb(OH)3- + 3H+ - log_k -28.06 - delta_h 0 kcal -2Pb+2 + H2O = Pb2OH+3 + H+ - log_k -6.36 - delta_h 0 kcal + log_k -7.71 + delta_h 0 kcal +Pb+2 + 2 H2O = Pb(OH)2 + 2 H+ + log_k -17.12 + delta_h 0 kcal +Pb+2 + 3 H2O = Pb(OH)3- + 3 H+ + log_k -28.06 + delta_h 0 kcal +2 Pb+2 + H2O = Pb2OH+3 + H+ + log_k -6.36 + delta_h 0 kcal Pb+2 + NO3- = PbNO3+ - log_k 1.17 - delta_h 0 kcal + log_k 1.17 + delta_h 0 kcal Pb+2 + SO4-2 = PbSO4 - log_k 2.75 - delta_h 0 kcal -Pb+2 + 2HS- = Pb(HS)2 - log_k 15.27 - delta_h 0 kcal -Pb+2 + 3HS- = Pb(HS)3- - log_k 16.57 - delta_h 0 kcal -3Pb+2 + 4H2O = Pb3(OH)4+2 + 4H+ - log_k -23.88 - delta_h 26.5 kcal + log_k 2.75 + delta_h 0 kcal +Pb+2 + 2 HS- = Pb(HS)2 + log_k 15.27 + delta_h 0 kcal +Pb+2 + 3 HS- = Pb(HS)3- + log_k 16.57 + delta_h 0 kcal +3 Pb+2 + 4 H2O = Pb3(OH)4+2 + 4 H+ + log_k -23.88 + delta_h 26.5 kcal Pb+2 + Br- = PbBr+ - log_k 1.77 - delta_h 2.88 kcal -Pb+2 + 2Br- = PbBr2 - log_k 1.44 - delta_h 0 kcal + log_k 1.77 + delta_h 2.88 kcal +Pb+2 + 2 Br- = PbBr2 + log_k 1.44 + delta_h 0 kcal Pb+2 + I- = PbI+ - log_k 1.94 - delta_h 0 kcal -Pb+2 + 2I- = PbI2 - log_k 3.199 - delta_h 0 kcal + log_k 1.94 + delta_h 0 kcal +Pb+2 + 2 I- = PbI2 + log_k 3.199 + delta_h 0 kcal Pb+2 + CO3-2 = PbCO3 - log_k 7.24 - delta_h 0 kcal -Pb+2 + 4H2O = Pb(OH)4-2 + 4H+ - log_k -39.699 - delta_h 0 kcal -Pb+2 + 2SO4-2 = Pb(SO4)2-2 - log_k 3.47 - delta_h 0 kcal + log_k 7.24 + delta_h 0 kcal +Pb+2 + 4 H2O = Pb(OH)4-2 + 4 H+ + log_k -39.699 + delta_h 0 kcal +Pb+2 + 2 SO4-2 = Pb(SO4)2-2 + log_k 3.47 + delta_h 0 kcal Pb+2 + CO3-2 + H+ = PbHCO3+ - log_k 13.2 - delta_h 0 kcal + log_k 13.2 + delta_h 0 kcal Ni+2 + Br- = NiBr+ - log_k 0.5 - delta_h 0 kcal + log_k 0.5 + delta_h 0 kcal Ni+2 + Cl- = NiCl+ - log_k 0.399 - delta_h 0 kcal + log_k 0.399 + delta_h 0 kcal Ni+2 + F- = NiF+ - log_k 1.3 - delta_h 0 kcal + log_k 1.3 + delta_h 0 kcal Ni+2 + H2O = NiOH+ + H+ - log_k -9.86 - delta_h 12.42 kcal -Ni+2 + 2H2O = Ni(OH)2 + 2H+ - log_k -19 - delta_h 0 kcal -Ni+2 + 3H2O = Ni(OH)3- + 3H+ - log_k -30 - delta_h 0 kcal + log_k -9.86 + delta_h 12.42 kcal +Ni+2 + 2 H2O = Ni(OH)2 + 2 H+ + log_k -19 + delta_h 0 kcal +Ni+2 + 3 H2O = Ni(OH)3- + 3 H+ + log_k -30 + delta_h 0 kcal Ni+2 + SO4-2 = NiSO4 - log_k 2.29 - delta_h 1.52 kcal -Ni+2 + 2Cl- = NiCl2 - log_k 0.96 - delta_h 0 kcal + log_k 2.29 + delta_h 1.52 kcal +Ni+2 + 2 Cl- = NiCl2 + log_k 0.96 + delta_h 0 kcal Ni+2 + CO3-2 + H+ = NiHCO3+ - log_k 12.47 - delta_h 0 kcal + log_k 12.47 + delta_h 0 kcal Ni+2 + CO3-2 = NiCO3 - log_k 6.87 - delta_h 0 kcal -Ni+2 + 2CO3-2 = Ni(CO3)2-2 - log_k 10.11 - delta_h 0 kcal -Ni+2 + 2SO4-2 = Ni(SO4)2-2 - log_k 1.02 - delta_h 0 kcal + log_k 6.87 + delta_h 0 kcal +Ni+2 + 2 CO3-2 = Ni(CO3)2-2 + log_k 10.11 + delta_h 0 kcal +Ni+2 + 2 SO4-2 = Ni(SO4)2-2 + log_k 1.02 + delta_h 0 kcal Ni+2 + Acetate- = NiAcetate+ - log_k 1.43 - delta_h 0 kcal + log_k 1.43 + delta_h 0 kcal Ni+2 + Glycine- = NiGlycine+ - log_k 6.18 - delta_h 0 kcal -2Ni+2 + Glycine- = Ni2Glycine+3 - log_k 11.13 - delta_h 0 kcal + log_k 6.18 + delta_h 0 kcal +2 Ni+2 + Glycine- = Ni2Glycine+3 + log_k 11.13 + delta_h 0 kcal Ni+2 + Salicylate-2 = NiSalicylate - log_k 6.95 - delta_h 0 kcal -2Ni+2 + Salicylate-2 = Ni2Salicylate+2 - log_k 11.75 - delta_h 0 kcal + log_k 6.95 + delta_h 0 kcal +2 Ni+2 + Salicylate-2 = Ni2Salicylate+2 + log_k 11.75 + delta_h 0 kcal Ni+2 + Glutamate-2 = NiGlutamate - log_k 5.9 - delta_h 0 kcal -2Ni+2 + Glutamate-2 = Ni2Glutamate+2 - log_k 10.34 - delta_h 0 kcal + log_k 5.9 + delta_h 0 kcal +2 Ni+2 + Glutamate-2 = Ni2Glutamate+2 + log_k 10.34 + delta_h 0 kcal Ni+2 + Phthalate-2 = NiPhthalate - log_k 2.95 - delta_h 0 kcal + log_k 2.95 + delta_h 0 kcal Ag+ + Br- = AgBr - log_k 4.24 - delta_h 0 kcal -Ag+ + 2Br- = AgBr2- - log_k 7.28 - delta_h 0 kcal + log_k 4.24 + delta_h 0 kcal +Ag+ + 2 Br- = AgBr2- + log_k 7.28 + delta_h 0 kcal Ag+ + Cl- = AgCl - log_k 3.27 - delta_h -2.68 kcal -Ag+ + 2Cl- = AgCl2- - log_k 5.27 - delta_h -3.93 kcal -Ag+ + 3Cl- = AgCl3-2 - log_k 5.29 - delta_h 0 kcal -Ag+ + 4Cl- = AgCl4-3 - log_k 5.51 - delta_h 0 kcal + log_k 3.27 + delta_h -2.68 kcal +Ag+ + 2 Cl- = AgCl2- + log_k 5.27 + delta_h -3.93 kcal +Ag+ + 3 Cl- = AgCl3-2 + log_k 5.29 + delta_h 0 kcal +Ag+ + 4 Cl- = AgCl4-3 + log_k 5.51 + delta_h 0 kcal Ag+ + F- = AgF - log_k 0.36 - delta_h -2.83 kcal + log_k 0.36 + delta_h -2.83 kcal Ag+ + HS- = AgHS - log_k 14.05 - delta_h 0 kcal -Ag+ + 2HS- = Ag(HS)2- - log_k 18.45 - delta_h 0 kcal + log_k 14.05 + delta_h 0 kcal +Ag+ + 2 HS- = Ag(HS)2- + log_k 18.45 + delta_h 0 kcal Ag+ + I- = AgI - log_k 6.6 - delta_h 0 kcal -Ag+ + 2I- = AgI2- - log_k 10.68 - delta_h 0 kcal + log_k 6.6 + delta_h 0 kcal +Ag+ + 2 I- = AgI2- + log_k 10.68 + delta_h 0 kcal Ag+ + H2O = AgOH + H+ - log_k -12 - delta_h 0 kcal -Ag+ + 2H2O = Ag(OH)2- + 2H+ - log_k -24 - delta_h 0 kcal + log_k -12 + delta_h 0 kcal +Ag+ + 2 H2O = Ag(OH)2- + 2 H+ + log_k -24 + delta_h 0 kcal Ag+ + SO4-2 = AgSO4- - log_k 1.29 - delta_h 1.49 kcal + log_k 1.29 + delta_h 1.49 kcal Ag+ + NO3- = AgNO3 - log_k -0.29 - delta_h 0 kcal -Ag+ + 2NO2- = Ag(NO2)2- - log_k 2.22 - delta_h 0 kcal -Ag+ + 3Br- = AgBr3-2 - log_k 8.71 - delta_h 0 kcal -Ag+ + 3I- = AgI3-2 - log_k 13.37 - delta_h -27.03 kcal -Ag+ + 4I- = AgI4-3 - log_k 14.08 - delta_h 0 kcal -Ag+ + 2HS- = Ag(S4)2-3 + 2H+ - log_k 0.991 - delta_h 0 kcal - -gamma 22 0 + log_k -0.29 + delta_h 0 kcal +Ag+ + 2 NO2- = Ag(NO2)2- + log_k 2.22 + delta_h 0 kcal +Ag+ + 3 Br- = AgBr3-2 + log_k 8.71 + delta_h 0 kcal +Ag+ + 3 I- = AgI3-2 + log_k 13.37 + delta_h -27.03 kcal +Ag+ + 4 I- = AgI4-3 + log_k 14.08 + delta_h 0 kcal +Ag+ + 2 HS- = Ag(S4)2-3 + 2 H+ + log_k 0.991 + delta_h 0 kcal + -gamma 22 0 -no_check -mass_balance Ag(S(-2)4)2 -Ag+ + 2HS- = AgS4S5-3 + 2H+ - log_k 0.68 - delta_h 0 kcal - -gamma 24 0 +Ag+ + 2 HS- = AgS4S5-3 + 2 H+ + log_k 0.68 + delta_h 0 kcal + -gamma 24 0 -no_check -mass_balance AgS(-2)4S(-2)5 -Ag+ + 2HS- = Ag(HS)S4-2 + H+ - log_k 10.431 - delta_h 0 kcal - -gamma 15 0 +Ag+ + 2 HS- = Ag(HS)S4-2 + H+ + log_k 10.431 + delta_h 0 kcal + -gamma 15 0 -no_check -mass_balance Ag(HS(-2))S(-2)4 H3AsO3 = H2AsO3- + H+ - log_k -9.228 - delta_h 6.56 kcal -H3AsO3 = HAsO3-2 + 2H+ - log_k -21.33 - delta_h 14.199 kcal -H3AsO3 = AsO3-3 + 3H+ - log_k -34.744 - delta_h 20.25 kcal + log_k -9.228 + delta_h 6.56 kcal +H3AsO3 = HAsO3-2 + 2 H+ + log_k -21.33 + delta_h 14.199 kcal +H3AsO3 = AsO3-3 + 3 H+ + log_k -34.744 + delta_h 20.25 kcal H3AsO3 + H+ = H4AsO3+ - log_k -0.305 - delta_h 0 kcal + log_k -0.305 + delta_h 0 kcal H3AsO4 = H2AsO4- + H+ - log_k -2.243 - delta_h -1.69 kcal -H3AsO4 = HAsO4-2 + 2H+ - log_k -9.001 - delta_h -0.92 kcal -H3AsO4 = AsO4-3 + 3H+ - log_k -20.597 - delta_h 3.43 kcal + log_k -2.243 + delta_h -1.69 kcal +H3AsO4 = HAsO4-2 + 2 H+ + log_k -9.001 + delta_h -0.92 kcal +H3AsO4 = AsO4-3 + 3 H+ + log_k -20.597 + delta_h 3.43 kcal Sb(OH)3 = HSbO2 + H2O - log_k -0.0073 - delta_h -0.015 kcal -Sb(OH)3 + F- + H+ = SbOF + 2H2O - log_k 6.1864 - delta_h 0 kcal + log_k -0.0073 + delta_h -0.015 kcal +Sb(OH)3 + F- + H+ = SbOF + 2 H2O + log_k 6.1864 + delta_h 0 kcal Sb(OH)3 + F- + H+ = Sb(OH)2F + H2O - log_k 6.1937 - delta_h 0 kcal -Sb(OH)3 + H+ = SbO+ + 2H2O - log_k 0.9228 - delta_h 1.97 kcal + log_k 6.1937 + delta_h 0 kcal +Sb(OH)3 + H+ = SbO+ + 2 H2O + log_k 0.9228 + delta_h 1.97 kcal Sb(OH)3 = SbO2- + H2O + H+ - log_k -11.8011 - delta_h 16.775 kcal + log_k -11.8011 + delta_h 16.775 kcal Sb(OH)3 + H+ = Sb(OH)2+ + H2O - log_k 1.3853 - delta_h 0 kcal -2Sb(OH)3 + 4HS- + 2H+ = Sb2S4-2 + 6H2O - log_k 49.3005 - delta_h -75.68 kcal -Sb(OH)6- = SbO3- + 3H2O - log_k 2.9319 - delta_h 0 kcal -Sb(OH)6- + 2H+ = SbO2+ + 4H2O - log_k 2.3895 - delta_h 0 kcal + log_k 1.3853 + delta_h 0 kcal +2 Sb(OH)3 + 4 HS- + 2 H+ = Sb2S4-2 + 6 H2O + log_k 49.3005 + delta_h -75.68 kcal +Sb(OH)6- = SbO3- + 3 H2O + log_k 2.9319 + delta_h 0 kcal +Sb(OH)6- + 2 H+ = SbO2+ + 4 H2O + log_k 2.3895 + delta_h 0 kcal Sb(OH)3 + H2O = Sb(OH)4- + H+ - log_k -12.0429 - delta_h 16.695 kcal + log_k -12.0429 + delta_h 16.695 kcal CO3-2 + H+ = HCO3- - log_k 10.33 - delta_h -3.617 kcal - -gamma 5.4 0 - -analytical -6.498 0.02379 2902.39 -CO3-2 + 2H+ = H2CO3 - log_k 16.681 - delta_h -2.247 kcal + log_k 10.33 + delta_h -3.617 kcal + -gamma 5.4 0 + -analytical -6.498 0.02379 2902.39 +CO3-2 + 2 H+ = H2CO3 + log_k 16.681 + delta_h -2.247 kcal SO4-2 + H+ = HSO4- - log_k 1.987 - delta_h 4.91 kcal - -gamma 4.5 0 - -analytical -5.3505 0.0183412 557.2461 + log_k 1.987 + delta_h 4.91 kcal + -gamma 4.5 0 + -analytical -5.3505 0.0183412 557.2461 F- + H+ = HF - log_k 3.169 - delta_h 3.46 kcal -2F- + H+ = HF2- - log_k 3.749 - delta_h 4.55 kcal - -gamma 3.5 0 -2F- + 2H+ = H2F2 - log_k 6.768 - delta_h 0 kcal + log_k 3.169 + delta_h 3.46 kcal +2 F- + H+ = HF2- + log_k 3.749 + delta_h 4.55 kcal + -gamma 3.5 0 +2 F- + 2 H+ = H2F2 + log_k 6.768 + delta_h 0 kcal PO4-3 + H+ = HPO4-2 - log_k 12.346 - delta_h -3.53 kcal - -gamma 5 0 -PO4-3 + 2H+ = H2PO4- - log_k 19.553 - delta_h -4.52 kcal - -gamma 5.4 0 -PO4-3 + 3H+ = H3PO4 - log_k 21.7 - delta_h 0 kcal + log_k 12.346 + delta_h -3.53 kcal + -gamma 5 0 +PO4-3 + 2 H+ = H2PO4- + log_k 19.553 + delta_h -4.52 kcal + -gamma 5.4 0 +PO4-3 + 3 H+ = H3PO4 + log_k 21.7 + delta_h 0 kcal HS- + H+ = H2S - log_k 6.994 - delta_h -5.3 kcal - -analytical -11.17 0.02386 3279.0 + log_k 6.994 + delta_h -5.3 kcal + -analytical -11.17 0.02386 3279 HS- = S-2 + H+ - log_k -12.918 - delta_h 12.1 kcal - -gamma 5 0 + log_k -12.918 + delta_h 12.1 kcal + -gamma 5 0 U+4 + H2O = UOH+3 + H+ - log_k -0.656 - delta_h 11.715 kcal - -analytical -9.16 0.0285 -U+4 + 2H2O = U(OH)2+2 + 2H+ - log_k -2.27 - delta_h 17.73 kcal -U+4 + 3H2O = U(OH)3+ + 3H+ - log_k -4.935 - delta_h 22.645 kcal -U+4 + 4H2O = U(OH)4 + 4H+ - log_k -8.498 - delta_h 24.76 kcal -U+4 + 5H2O = U(OH)5- + 5H+ - log_k -13.12 - delta_h 27.575 kcal -6U+4 + 15H2O = U6(OH)15+9 + 15H+ - log_k -17.229 - delta_h 0 kcal + log_k -0.656 + delta_h 11.715 kcal + -analytical -9.16 0.0285 +U+4 + 2 H2O = U(OH)2+2 + 2 H+ + log_k -2.27 + delta_h 17.73 kcal +U+4 + 3 H2O = U(OH)3+ + 3 H+ + log_k -4.935 + delta_h 22.645 kcal +U+4 + 4 H2O = U(OH)4 + 4 H+ + log_k -8.498 + delta_h 24.76 kcal +U+4 + 5 H2O = U(OH)5- + 5 H+ + log_k -13.12 + delta_h 27.575 kcal +6 U+4 + 15 H2O = U6(OH)15+9 + 15 H+ + log_k -17.229 + delta_h 0 kcal U+4 + F- = UF+3 - log_k 8.659 - delta_h 5.05 kcal -U+4 + 2F- = UF2+2 - log_k 14.457 - delta_h 7.2 kcal -U+4 + 3F- = UF3+ - log_k 19.115 - delta_h 7.15 kcal -U+4 + 4F- = UF4 - log_k 23.64 - delta_h 4.6 kcal -U+4 + 5F- = UF5- - log_k 25.238 - delta_h 4.85 kcal -U+4 + 6F- = UF6-2 - log_k 27.718 - delta_h 3.3 kcal + log_k 8.659 + delta_h 5.05 kcal +U+4 + 2 F- = UF2+2 + log_k 14.457 + delta_h 7.2 kcal +U+4 + 3 F- = UF3+ + log_k 19.115 + delta_h 7.15 kcal +U+4 + 4 F- = UF4 + log_k 23.64 + delta_h 4.6 kcal +U+4 + 5 F- = UF5- + log_k 25.238 + delta_h 4.85 kcal +U+4 + 6 F- = UF6-2 + log_k 27.718 + delta_h 3.3 kcal U+4 + Cl- = UCl+3 - log_k 1.338 - delta_h 9.933 kcal + log_k 1.338 + delta_h 9.933 kcal U+4 + SO4-2 = USO4+2 - log_k 5.461 - delta_h 3.7 kcal -U+4 + 2SO4-2 = U(SO4)2 - log_k 9.749 - delta_h 7.6 kcal + log_k 5.461 + delta_h 3.7 kcal +U+4 + 2 SO4-2 = U(SO4)2 + log_k 9.749 + delta_h 7.6 kcal U+4 + PO4-3 + H+ = UHPO4+2 - log_k 24.443 - delta_h 7.5 kcal -U+4 + 2PO4-3 + 2H+ = U(HPO4)2 - log_k 46.833 - delta_h 1.7 kcal -U+4 + 3PO4-3 + 3H+ = U(HPO4)3-2 - log_k 67.564 - delta_h -7.8 kcal -U+4 + 4PO4-3 + 4H+ = U(HPO4)4-4 - log_k 88.483 - delta_h -26.5 kcal + log_k 24.443 + delta_h 7.5 kcal +U+4 + 2 PO4-3 + 2 H+ = U(HPO4)2 + log_k 46.833 + delta_h 1.7 kcal +U+4 + 3 PO4-3 + 3 H+ = U(HPO4)3-2 + log_k 67.564 + delta_h -7.8 kcal +U+4 + 4 PO4-3 + 4 H+ = U(HPO4)4-4 + log_k 88.483 + delta_h -26.5 kcal UO2+2 + H2O = UO2OH+ + H+ - log_k -5.09 - delta_h 10.216 kcal -2UO2+2 + 2H2O = (UO2)2(OH)2+2 + 2H+ - log_k -5.645 - delta_h 10.23 kcal -3UO2+2 + 5H2O = (UO2)3(OH)5+ + 5H+ - log_k -15.593 - delta_h 25.075 kcal + log_k -5.09 + delta_h 10.216 kcal +2 UO2+2 + 2 H2O = (UO2)2(OH)2+2 + 2 H+ + log_k -5.645 + delta_h 10.23 kcal +3 UO2+2 + 5 H2O = (UO2)3(OH)5+ + 5 H+ + log_k -15.593 + delta_h 25.075 kcal UO2+2 + CO3-2 = UO2CO3 - log_k 10.071 - delta_h 0.84 kcal - -analytical -9.56 0.03434 2809.0 -UO2+2 + 2CO3-2 = UO2(CO3)2-2 - log_k 17.008 - delta_h 3.48 kcal - -analytical 14.14 0.0096 -UO2+2 + 3CO3-2 = UO2(CO3)3-4 - log_k 21.384 - delta_h -8.78 kcal + log_k 10.071 + delta_h 0.84 kcal + -analytical -9.56 0.03434 2809 +UO2+2 + 2 CO3-2 = UO2(CO3)2-2 + log_k 17.008 + delta_h 3.48 kcal + -analytical 14.14 0.0096 +UO2+2 + 3 CO3-2 = UO2(CO3)3-4 + log_k 21.384 + delta_h -8.78 kcal UO2+2 + F- = UO2F+ - log_k 5.105 - delta_h -0.45 kcal -UO2+2 + 2F- = UO2F2 - log_k 8.92 - delta_h -0.9 kcal -UO2+2 + 3F- = UO2F3- - log_k 11.364 - delta_h -0.85 kcal -UO2+2 + 4F- = UO2F4-2 - log_k 12.607 - delta_h -1.1 kcal + log_k 5.105 + delta_h -0.45 kcal +UO2+2 + 2 F- = UO2F2 + log_k 8.92 + delta_h -0.9 kcal +UO2+2 + 3 F- = UO2F3- + log_k 11.364 + delta_h -0.85 kcal +UO2+2 + 4 F- = UO2F4-2 + log_k 12.607 + delta_h -1.1 kcal UO2+2 + Cl- = UO2Cl+ - log_k 0.22 - delta_h 1.233 kcal + log_k 0.22 + delta_h 1.233 kcal UO2+2 + SO4-2 = UO2SO4 - log_k 2.709 - delta_h 5.1 kcal -# Minteq a_e has more constants than phreeqc, can not use + log_k 2.709 + delta_h 5.1 kcal +# Minteq a_e has more constants than phreeqc, can not use # -analytical 11.384 -0.07088 0.0 0.0 1.40277E-4 -UO2+2 + 2SO4-2 = UO2(SO4)2-2 - log_k 4.183 - delta_h 6.1 kcal -# Minteq a_e has more constants than phreeqc, can not use +UO2+2 + 2 SO4-2 = UO2(SO4)2-2 + log_k 4.183 + delta_h 6.1 kcal +# Minteq a_e has more constants than phreeqc, can not use # -analytical 12.130 -0.068297 0.0 0.0 1.3987E-04 UO2+2 + PO4-3 + H+ = UO2HPO4 - log_k 20.814 - delta_h -2.1 kcal -UO2+2 + 2PO4-3 + 2H+ = UO2(HPO4)2-2 - log_k 42.988 + log_k 20.814 + delta_h -2.1 kcal +UO2+2 + 2 PO4-3 + 2 H+ = UO2(HPO4)2-2 + log_k 42.988 delta_h -11.399 kcal -UO2+2 + PO4-3 + 2H+ = UO2H2PO4+ - log_k 22.643 - delta_h -3.7 kcal -UO2+2 + 2PO4-3 + 4H+ = UO2(H2PO4)2 - log_k 44.7 - delta_h -16.5 kcal -UO2+2 + 3PO4-3 + 6H+ = UO2(H2PO4)3- - log_k 66.245 - delta_h -28.6 kcal +UO2+2 + PO4-3 + 2 H+ = UO2H2PO4+ + log_k 22.643 + delta_h -3.7 kcal +UO2+2 + 2 PO4-3 + 4 H+ = UO2(H2PO4)2 + log_k 44.7 + delta_h -16.5 kcal +UO2+2 + 3 PO4-3 + 6 H+ = UO2(H2PO4)3- + log_k 66.245 + delta_h -28.6 kcal UO2+2 + H4SiO4 = UO2H3SiO4+ + H+ - log_k -2.4 - delta_h 0 kcal -HS- = S2-2 + H+ - log_k -14.528 - delta_h 11.4 kcal + log_k -2.4 + delta_h 0 kcal +HS- = S2-2 + H+ + log_k -14.528 + delta_h 11.4 kcal -no_check -mass_balance S(-2)2 -HS- = S3-2 + H+ - log_k -13.282 - delta_h 10.4 kcal +HS- = S3-2 + H+ + log_k -13.282 + delta_h 10.4 kcal -no_check -mass_balance S(-2)3 -HS- = S4-2 + H+ - log_k -9.829 - delta_h 9.7 kcal +HS- = S4-2 + H+ + log_k -9.829 + delta_h 9.7 kcal -no_check -mass_balance S(-2)4 -HS- = S5-2 + H+ - log_k -9.595 - delta_h 9.3 kcal +HS- = S5-2 + H+ + log_k -9.595 + delta_h 9.3 kcal -no_check -mass_balance S(-2)5 -HS- = S6-2 + H+ - log_k -9.881 - delta_h 0 kcal +HS- = S6-2 + H+ + log_k -9.881 + delta_h 0 kcal -no_check -mass_balance S(-2)6 V+2 + H2O = VOH+ + H+ - log_k -5.64 - delta_h 0 kcal + log_k -5.64 + delta_h 0 kcal V+3 + H2O = VOH+2 + H+ - log_k -2.3 - delta_h 9.35 kcal -V+3 + 2H2O = V(OH)2+ + 2H+ - log_k -5.83 - delta_h 0 kcal -V+3 + 3H2O = V(OH)3 + 3H+ - log_k -11.02 - delta_h 0 kcal + log_k -2.3 + delta_h 9.35 kcal +V+3 + 2 H2O = V(OH)2+ + 2 H+ + log_k -5.83 + delta_h 0 kcal +V+3 + 3 H2O = V(OH)3 + 3 H+ + log_k -11.02 + delta_h 0 kcal V+3 + SO4-2 = VSO4+ - log_k 1.44 - delta_h 0 kcal -2V+3 + 3H2O = V2(OH)3+3 + 3H+ - log_k -7.5 - delta_h 0 kcal -2V+3 + 2H2O = V2(OH)2+4 + 2H+ - log_k -3.75 - delta_h 0 kcal -VO+2 + 2H2O = V(OH)3+ + H+ - log_k -5.67 - delta_h 0 kcal -2VO+2 + 2H2O = H2V2O4+2 + 2H+ - log_k -6.44 - delta_h 0 kcal + log_k 1.44 + delta_h 0 kcal +2 V+3 + 3 H2O = V2(OH)3+3 + 3 H+ + log_k -7.5 + delta_h 0 kcal +2 V+3 + 2 H2O = V2(OH)2+4 + 2 H+ + log_k -3.75 + delta_h 0 kcal +VO+2 + 2 H2O = V(OH)3+ + H+ + log_k -5.67 + delta_h 0 kcal +2 VO+2 + 2 H2O = H2V2O4+2 + 2 H+ + log_k -6.44 + delta_h 0 kcal VO+2 + F- = VOF+ - log_k 3.34 - delta_h 1.9 kcal -VO+2 + 2F- = VOF2 - log_k 5.74 - delta_h 3.5 kcal -VO+2 + 3F- = VOF3- - log_k 7.3 - delta_h 4.9 kcal -VO+2 + 4F- = VOF4-2 - log_k 8.11 - delta_h 6.4 kcal + log_k 3.34 + delta_h 1.9 kcal +VO+2 + 2 F- = VOF2 + log_k 5.74 + delta_h 3.5 kcal +VO+2 + 3 F- = VOF3- + log_k 7.3 + delta_h 4.9 kcal +VO+2 + 4 F- = VOF4-2 + log_k 8.11 + delta_h 6.4 kcal VO+2 + SO4-2 = VOSO4 - log_k 2.45 - delta_h 3.72 kcal + log_k 2.45 + delta_h 3.72 kcal VO+2 + Cl- = VOCl+ - log_k 0.02 - delta_h 0 kcal -VO2+ + 2H2O = H3VO4 + H+ - log_k -3.3 - delta_h 10.63 kcal -VO2+ + 2H2O = H2VO4- + 2H+ - log_k -7.09 - delta_h 11.33 kcal -VO2+ + 2H2O = HVO4-2 + 3H+ - log_k -15.15 - delta_h 14.93 kcal -VO2+ + 2H2O = VO4-3 + 4H+ - log_k -28.4 - delta_h 19.53 kcal -2VO2+ + 3H2O = V2O7-4 + 6H+ - log_k -29.08 - delta_h 0 kcal -2VO2+ + 3H2O = HV2O7-3 + 5H+ - log_k -16.32 - delta_h 0 kcal -2VO2+ + 3H2O = H3V2O7- + 3H+ - log_k -3.79 - delta_h 0 kcal -3VO2+ + 3H2O = V3O9-3 + 6H+ - log_k -15.88 - delta_h 0 kcal -4VO2+ + 4H2O = V4O12-4 + 8H+ - log_k -20.79 - delta_h 0 kcal -10VO2+ + 8H2O = V10O28-6 + 16H+ - log_k -17.53 - delta_h 0 kcal -10VO2+ + 8H2O = HV10O28-5 + 15H+ - log_k -11.35 - delta_h 21.52 kcal -10VO2+ + 8H2O = H2V10O28-4 + 14H+ - log_k -7.71 - delta_h 0 kcal + log_k 0.02 + delta_h 0 kcal +VO2+ + 2 H2O = H3VO4 + H+ + log_k -3.3 + delta_h 10.63 kcal +VO2+ + 2 H2O = H2VO4- + 2 H+ + log_k -7.09 + delta_h 11.33 kcal +VO2+ + 2 H2O = HVO4-2 + 3 H+ + log_k -15.15 + delta_h 14.93 kcal +VO2+ + 2 H2O = VO4-3 + 4 H+ + log_k -28.4 + delta_h 19.53 kcal +2 VO2+ + 3 H2O = V2O7-4 + 6 H+ + log_k -29.08 + delta_h 0 kcal +2 VO2+ + 3 H2O = HV2O7-3 + 5 H+ + log_k -16.32 + delta_h 0 kcal +2 VO2+ + 3 H2O = H3V2O7- + 3 H+ + log_k -3.79 + delta_h 0 kcal +3 VO2+ + 3 H2O = V3O9-3 + 6 H+ + log_k -15.88 + delta_h 0 kcal +4 VO2+ + 4 H2O = V4O12-4 + 8 H+ + log_k -20.79 + delta_h 0 kcal +10 VO2+ + 8 H2O = V10O28-6 + 16 H+ + log_k -17.53 + delta_h 0 kcal +10 VO2+ + 8 H2O = HV10O28-5 + 15 H+ + log_k -11.35 + delta_h 21.52 kcal +10 VO2+ + 8 H2O = H2V10O28-4 + 14 H+ + log_k -7.71 + delta_h 0 kcal VO2+ + F- = VO2F - log_k 3.12 - delta_h 0 kcal -VO2+ + 2F- = VO2F2- - log_k 5.67 - delta_h 0 kcal -VO2+ + 3F- = VO2F3-2 - log_k 6.97 - delta_h 0 kcal -VO2+ + 4F- = VO2F4-3 - log_k 7.07 - delta_h 0 kcal + log_k 3.12 + delta_h 0 kcal +VO2+ + 2 F- = VO2F2- + log_k 5.67 + delta_h 0 kcal +VO2+ + 3 F- = VO2F3-2 + log_k 6.97 + delta_h 0 kcal +VO2+ + 4 F- = VO2F4-3 + log_k 7.07 + delta_h 0 kcal VO2+ + SO4-2 = VO2SO4- - log_k 1.71 - delta_h 0 kcal + log_k 1.71 + delta_h 0 kcal VO2+ + NO3- = VO2NO3 - log_k -0.43 - delta_h 0 kcal + log_k -0.43 + delta_h 0 kcal Tl+ + H2O = TlOH + H+ - log_k -13.1717 - delta_h 13.935 kcal + log_k -13.1717 + delta_h 13.935 kcal Tl+ + F- = TlF - log_k -0.4251 - delta_h 0 kcal + log_k -0.4251 + delta_h 0 kcal Tl+ + Cl- = TlCl - log_k 0.6824 - delta_h -1.147 kcal -Tl+ + 2Cl- = TlCl2- - log_k 0.2434 - delta_h 0 kcal + log_k 0.6824 + delta_h -1.147 kcal +Tl+ + 2 Cl- = TlCl2- + log_k 0.2434 + delta_h 0 kcal Tl+ + Br- = TlBr - log_k 0.9477 - delta_h -2.461 kcal -Tl+ + 2Br- = TlBr2- - log_k 0.9719 - delta_h 2.998 kcal + log_k 0.9477 + delta_h -2.461 kcal +Tl+ + 2 Br- = TlBr2- + log_k 0.9719 + delta_h 2.998 kcal Tl+ + Br- + Cl- = TlBrCl- - log_k 0.8165 - delta_h 0 kcal + log_k 0.8165 + delta_h 0 kcal Tl+ + I- = TlI - log_k 1.4279 - delta_h 0 kcal -Tl+ + 2I- = TlI2- - log_k 1.8588 - delta_h 0 kcal + log_k 1.4279 + delta_h 0 kcal +Tl+ + 2 I- = TlI2- + log_k 1.8588 + delta_h 0 kcal Tl+ + I- + Br- = TlIBr- - log_k 2.185 - delta_h 0 kcal + log_k 2.185 + delta_h 0 kcal Tl+ + SO4-2 = TlSO4- - log_k 1.3853 - delta_h -0.22 kcal + log_k 1.3853 + delta_h -0.22 kcal Tl+ + NO3- = TlNO3 - log_k 0.3665 - delta_h -0.65 kcal + log_k 0.3665 + delta_h -0.65 kcal Tl+ + NO2- = TlNO2 - log_k 0.9969 - delta_h 0 kcal + log_k 0.9969 + delta_h 0 kcal Tl+ + HS- = TlHS - log_k 1.8178 - delta_h 0 kcal -2Tl+ + HS- = Tl2HS+ - log_k 7.6979 - delta_h 0 kcal -2Tl+ + 3HS- + H2O = Tl2OH(HS)3-2 + H+ - log_k 1.0044 - delta_h 0 kcal -2Tl+ + 2HS- + 2H2O = Tl2(OH)2(HS)2-2 + 2H+ - log_k -11.0681 - delta_h 0 kcal -Tl(OH)3 + 3H+ = Tl+3 + 3H2O - log_k 4.7424 - delta_h 0 kcal -Tl(OH)3 + 2H+ = TlOH+2 + 2H2O - log_k 3.577 - delta_h 0 kcal + log_k 1.8178 + delta_h 0 kcal +2 Tl+ + HS- = Tl2HS+ + log_k 7.6979 + delta_h 0 kcal +2 Tl+ + 3 HS- + H2O = Tl2OH(HS)3-2 + H+ + log_k 1.0044 + delta_h 0 kcal +2 Tl+ + 2 HS- + 2 H2O = Tl2(OH)2(HS)2-2 + 2 H+ + log_k -11.0681 + delta_h 0 kcal +Tl(OH)3 + 3 H+ = Tl+3 + 3 H2O + log_k 4.7424 + delta_h 0 kcal +Tl(OH)3 + 2 H+ = TlOH+2 + 2 H2O + log_k 3.577 + delta_h 0 kcal Tl(OH)3 + H+ = Tl(OH)2+ + H2O - log_k 2.1183 - delta_h 0 kcal + log_k 2.1183 + delta_h 0 kcal Tl(OH)3 + H2O = Tl(OH)4- + H+ - log_k -10.2545 - delta_h 0 kcal -Tl(OH)3 + Cl- + 3H+ = TlCl+2 + 3H2O - log_k 12.2342 - delta_h 0 kcal -Tl(OH)3 + 2Cl- + 3H+ = TlCl2+ + 3H2O - log_k 18.0402 - delta_h 0 kcal -Tl(OH)3 + 3Cl- + 3H+ = TlCl3 + 3H2O - log_k 21.4273 - delta_h 0 kcal -Tl(OH)3 + 4Cl- + 3H+ = TlCl4- + 3H2O - log_k 24.2281 - delta_h 0 kcal -Tl(OH)3 + Br- + 3H+ = TlBr+2 + 3H2O - log_k 14.2221 - delta_h 0 kcal -Tl(OH)3 + 2Br- + 3H+ = TlBr2+ + 3H2O - log_k 21.5761 - delta_h 0 kcal -Tl(OH)3 + 3Br- + 3H+ = TlBr3 + 3H2O - log_k 27.0244 - delta_h 0 kcal -Tl(OH)3 + 4Br- + 3H+ = TlBr4- + 3H2O - log_k 31.1533 - delta_h 0 kcal -Tl(OH)3 + 4I- + 3H+ = TlI4- + 3H2O - log_k 34.7596 - delta_h 0 kcal -Tl(OH)3 + NO3- + 3H+ = TlNO3+2 + 3H2O - log_k 7.0073 - delta_h 0 kcal -Tl(OH)3 + Cl- + 2H+ = TlOHCl+ + 2H2O - log_k 10.629 - delta_h 0 kcal + log_k -10.2545 + delta_h 0 kcal +Tl(OH)3 + Cl- + 3 H+ = TlCl+2 + 3 H2O + log_k 12.2342 + delta_h 0 kcal +Tl(OH)3 + 2 Cl- + 3 H+ = TlCl2+ + 3 H2O + log_k 18.0402 + delta_h 0 kcal +Tl(OH)3 + 3 Cl- + 3 H+ = TlCl3 + 3 H2O + log_k 21.4273 + delta_h 0 kcal +Tl(OH)3 + 4 Cl- + 3 H+ = TlCl4- + 3 H2O + log_k 24.2281 + delta_h 0 kcal +Tl(OH)3 + Br- + 3 H+ = TlBr+2 + 3 H2O + log_k 14.2221 + delta_h 0 kcal +Tl(OH)3 + 2 Br- + 3 H+ = TlBr2+ + 3 H2O + log_k 21.5761 + delta_h 0 kcal +Tl(OH)3 + 3 Br- + 3 H+ = TlBr3 + 3 H2O + log_k 27.0244 + delta_h 0 kcal +Tl(OH)3 + 4 Br- + 3 H+ = TlBr4- + 3 H2O + log_k 31.1533 + delta_h 0 kcal +Tl(OH)3 + 4 I- + 3 H+ = TlI4- + 3 H2O + log_k 34.7596 + delta_h 0 kcal +Tl(OH)3 + NO3- + 3 H+ = TlNO3+2 + 3 H2O + log_k 7.0073 + delta_h 0 kcal +Tl(OH)3 + Cl- + 2 H+ = TlOHCl+ + 2 H2O + log_k 10.629 + delta_h 0 kcal HSe- = Se-2 + H+ - log_k -14.9529 - delta_h 11.5 kcal + log_k -14.9529 + delta_h 11.5 kcal HSe- + H+ = H2Se - log_k 3.8115 - delta_h 0.8 kcal + log_k 3.8115 + delta_h 0.8 kcal HSe- + Mn+2 = MnSe + H+ - log_k -6.7435 - delta_h 0 kcal -HSe- + 2Ag+ = Ag2Se + H+ - log_k 34.0677 - delta_h 0 kcal -2HSe- + Ag+ + H2O = AgOH(Se)2-4 + 3H+ - log_k -18.6237 - delta_h 0 kcal + log_k -6.7435 + delta_h 0 kcal +HSe- + 2 Ag+ = Ag2Se + H+ + log_k 34.0677 + delta_h 0 kcal +2 HSe- + Ag+ + H2O = AgOH(Se)2-4 + 3 H+ + log_k -18.6237 + delta_h 0 kcal HSeO3- = SeO3-2 + H+ - log_k -8.48 - delta_h 1.28 kcal + log_k -8.48 + delta_h 1.28 kcal HSeO3- + H+ = H2SeO3 - log_k 2.65 - delta_h 1.69 kcal + log_k 2.65 + delta_h 1.69 kcal HSeO3- + Fe+3 = FeHSeO3+2 - log_k 3.61 - delta_h 0 kcal + log_k 3.61 + delta_h 0 kcal HSeO3- + Ag+ = AgSeO3- + H+ - log_k -5.5985 - delta_h 0 kcal -2HSeO3- + Ag+ = Ag(SeO3)2-3 + 2H+ - log_k -13.2 - delta_h 0 kcal -2HSeO3- + Cd+2 = Cd(SeO3)2-2 + 2H+ - log_k -11.189 - delta_h 0 kcal + log_k -5.5985 + delta_h 0 kcal +2 HSeO3- + Ag+ = Ag(SeO3)2-3 + 2 H+ + log_k -13.2 + delta_h 0 kcal +2 HSeO3- + Cd+2 = Cd(SeO3)2-2 + 2 H+ + log_k -11.189 + delta_h 0 kcal SeO4-2 + H+ = HSeO4- - log_k 1.9058 - delta_h 4.2 kcal + log_k 1.9058 + delta_h 4.2 kcal SeO4-2 + Mn+2 = MnSeO4 - log_k 2.4188 - delta_h 3.46 kcal + log_k 2.4188 + delta_h 3.46 kcal SeO4-2 + Ni+2 = NiSeO4 - log_k 2.6387 - delta_h 3.5 kcal + log_k 2.6387 + delta_h 3.5 kcal SeO4-2 + Cd+2 = CdSeO4 - log_k 2.2415 - delta_h 0 kcal + log_k 2.2415 + delta_h 0 kcal SeO4-2 + Zn+2 = ZnSeO4 - log_k 2.2019 - delta_h 0 kcal -2SeO4-2 + Zn+2 = Zn(SeO4)2-2 - log_k -0.0704 - delta_h 0 kcal -Hg(OH)2 + 2H+ = Hg+2 + 2H2O - log_k 6.097 - delta_h -11.06 kcal -Hg(OH)2 + Br- + 2H+ = HgBr+ + 2H2O - log_k 15.8347 - delta_h 0 kcal -Hg(OH)2 + 2Br- + 2H+ = HgBr2 + 2H2O - log_k 23.6065 + log_k 2.2019 + delta_h 0 kcal +2 SeO4-2 + Zn+2 = Zn(SeO4)2-2 + log_k -0.0704 + delta_h 0 kcal +Hg(OH)2 + 2 H+ = Hg+2 + 2 H2O + log_k 6.097 + delta_h -11.06 kcal +Hg(OH)2 + Br- + 2 H+ = HgBr+ + 2 H2O + log_k 15.8347 + delta_h 0 kcal +Hg(OH)2 + 2 Br- + 2 H+ = HgBr2 + 2 H2O + log_k 23.6065 delta_h -30.832 kcal -Hg(OH)2 + 2H+ + 3Br- = HgBr3- + 2H2O - log_k 25.7857 - delta_h 0 kcal -Hg(OH)2 + 2H+ + 4Br- = HgBr4-2 + 2H2O - log_k 27.0633 - delta_h 0 kcal -Hg(OH)2 + Br- + Cl- + 2H+ = HgBrCl + 2H2O - log_k 22.0145 - delta_h 0 kcal -Hg(OH)2 + Br- + I- + 2H+ = HgBrI + 2H2O - log_k 27.1212 - delta_h 0 kcal -Hg(OH)2 + Br- + 3I- + 2H+ = HgBrI3-2 + 2H2O - log_k 34.2135 - delta_h 0 kcal -Hg(OH)2 + 2Br- + 2I- + 2H+ = HgBr2I2-2 + 2H2O - log_k 32.3994 - delta_h 0 kcal -Hg(OH)2 + 3Br- + I- + 2H+ = HgBr3I-2 + 2H2O - log_k 30.1528 - delta_h 0 kcal +Hg(OH)2 + 2 H+ + 3 Br- = HgBr3- + 2 H2O + log_k 25.7857 + delta_h 0 kcal +Hg(OH)2 + 2 H+ + 4 Br- = HgBr4-2 + 2 H2O + log_k 27.0633 + delta_h 0 kcal +Hg(OH)2 + Br- + Cl- + 2 H+ = HgBrCl + 2 H2O + log_k 22.0145 + delta_h 0 kcal +Hg(OH)2 + Br- + I- + 2 H+ = HgBrI + 2 H2O + log_k 27.1212 + delta_h 0 kcal +Hg(OH)2 + Br- + 3 I- + 2 H+ = HgBrI3-2 + 2 H2O + log_k 34.2135 + delta_h 0 kcal +Hg(OH)2 + 2 Br- + 2 I- + 2 H+ = HgBr2I2-2 + 2 H2O + log_k 32.3994 + delta_h 0 kcal +Hg(OH)2 + 3 Br- + I- + 2 H+ = HgBr3I-2 + 2 H2O + log_k 30.1528 + delta_h 0 kcal Hg(OH)2 + Br- + H+ = HgBrOH + H2O - log_k 11.598 - delta_h 0 kcal -Hg(OH)2 + Cl- + 2H+ = HgCl+ + 2H2O - log_k 12.85 - delta_h 0 kcal -Hg(OH)2 + 2Cl- + 2H+ = HgCl2 + 2H2O - log_k 19.2203 - delta_h 0 kcal -Hg(OH)2 + 3Cl- + 2H+ = HgCl3- + 2H2O - log_k 20.1226 - delta_h 0 kcal -Hg(OH)2 + 4Cl- + 2H+ = HgCl4-2 + 2H2O - log_k 20.5338 - delta_h 0 kcal -Hg(OH)2 + Cl- + I- + 2H+ = HgClI + 2H2O - log_k 25.3532 - delta_h 0 kcal + log_k 11.598 + delta_h 0 kcal +Hg(OH)2 + Cl- + 2 H+ = HgCl+ + 2 H2O + log_k 12.85 + delta_h 0 kcal +Hg(OH)2 + 2 Cl- + 2 H+ = HgCl2 + 2 H2O + log_k 19.2203 + delta_h 0 kcal +Hg(OH)2 + 3 Cl- + 2 H+ = HgCl3- + 2 H2O + log_k 20.1226 + delta_h 0 kcal +Hg(OH)2 + 4 Cl- + 2 H+ = HgCl4-2 + 2 H2O + log_k 20.5338 + delta_h 0 kcal +Hg(OH)2 + Cl- + I- + 2 H+ = HgClI + 2 H2O + log_k 25.3532 + delta_h 0 kcal Hg(OH)2 + Cl- + H+ = HgClOH + H2O - log_k 9.317 + log_k 9.317 delta_h -12.482 kcal -Hg(OH)2 + F- + 2H+ = HgF+ + 2H2O - log_k 8.0848 - delta_h 0 kcal -Hg(OH)2 + I- + 2H+ = HgI+ + 2H2O - log_k 18.8949 - delta_h 0 kcal -Hg(OH)2 + 2I- + 2H+ = HgI2 + 2H2O - log_k 30.1081 +Hg(OH)2 + F- + 2 H+ = HgF+ + 2 H2O + log_k 8.0848 + delta_h 0 kcal +Hg(OH)2 + I- + 2 H+ = HgI+ + 2 H2O + log_k 18.8949 + delta_h 0 kcal +Hg(OH)2 + 2 I- + 2 H+ = HgI2 + 2 H2O + log_k 30.1081 delta_h -44.522 kcal -Hg(OH)2 + 3I- + 2H+ = HgI3- + 2H2O - log_k 33.7935 +Hg(OH)2 + 3 I- + 2 H+ = HgI3- + 2 H2O + log_k 33.7935 delta_h -47.943 kcal -Hg(OH)2 + 4I- + 2H+ = HgI4-2 + 2H2O - log_k 35.7858 - delta_h 0 kcal -Hg(OH)2 + NH4+ + H+ = HgNH3+2 + 2H2O - log_k 5.6139 - delta_h 0 kcal -Hg(OH)2 + 2NH4+ = Hg(NH3)2+2 + 2H2O - log_k 5.0341 - delta_h 0 kcal -Hg(OH)2 + 3NH4+ = Hg(NH3)3+2 + H+ + 2H2O - log_k -3.2493 - delta_h 0 kcal -Hg(OH)2 + 4NH4+ = Hg(NH3)4+2 + 2H+ + 2H2O - log_k -11.7307 - delta_h 0 kcal -Hg(OH)2 + NO3- + 2H+ = HgNO3+ + 2H2O - log_k 6.4503 - delta_h 0 kcal -Hg(OH)2 + 2NO3- + 2H+ = Hg(NO3)2 + 2H2O - log_k 4.7791 - delta_h 0 kcal +Hg(OH)2 + 4 I- + 2 H+ = HgI4-2 + 2 H2O + log_k 35.7858 + delta_h 0 kcal +Hg(OH)2 + NH4+ + H+ = HgNH3+2 + 2 H2O + log_k 5.6139 + delta_h 0 kcal +Hg(OH)2 + 2 NH4+ = Hg(NH3)2+2 + 2 H2O + log_k 5.0341 + delta_h 0 kcal +Hg(OH)2 + 3 NH4+ = Hg(NH3)3+2 + H+ + 2 H2O + log_k -3.2493 + delta_h 0 kcal +Hg(OH)2 + 4 NH4+ = Hg(NH3)4+2 + 2 H+ + 2 H2O + log_k -11.7307 + delta_h 0 kcal +Hg(OH)2 + NO3- + 2 H+ = HgNO3+ + 2 H2O + log_k 6.4503 + delta_h 0 kcal +Hg(OH)2 + 2 NO3- + 2 H+ = Hg(NO3)2 + 2 H2O + log_k 4.7791 + delta_h 0 kcal Hg(OH)2 + H+ = HgOH+ + H2O - log_k 2.6974 - delta_h 0 kcal + log_k 2.6974 + delta_h 0 kcal Hg(OH)2 + H2O = Hg(OH)3- + H+ - log_k -15.0042 - delta_h 0 kcal -Hg(OH)2 + 2HS- = HgS2-2 + 2H2O - log_k 31.2398 - delta_h 0 kcal -Hg(OH)2 + 2HS- + 2H+ = Hg(HS)2 + 2H2O - log_k 43.8178 - delta_h 0 kcal -Hg(OH)2 + SO4-2 + 2H+ = HgSO4 + 2H2O - log_k 7.4911 - delta_h 0 kcal -Cr(OH)2+ + 2H+ = Cr+3 + 2H2O - log_k 9.62 - delta_h -20.14 kcal + log_k -15.0042 + delta_h 0 kcal +Hg(OH)2 + 2 HS- = HgS2-2 + 2 H2O + log_k 31.2398 + delta_h 0 kcal +Hg(OH)2 + 2 HS- + 2 H+ = Hg(HS)2 + 2 H2O + log_k 43.8178 + delta_h 0 kcal +Hg(OH)2 + SO4-2 + 2 H+ = HgSO4 + 2 H2O + log_k 7.4911 + delta_h 0 kcal +Cr(OH)2+ + 2 H+ = Cr+3 + 2 H2O + log_k 9.62 + delta_h -20.14 kcal Cr(OH)2+ + H+ = Cr(OH)+2 + H2O - log_k 5.62 - delta_h 0 kcal + log_k 5.62 + delta_h 0 kcal Cr(OH)2+ + H2O = Cr(OH)3 + H+ - log_k -7.13 - delta_h 0 kcal -Cr(OH)2+ + 2H2O = Cr(OH)4- + 2H+ - log_k -18.15 - delta_h 0 kcal -Cr(OH)2+ = CrO2- + 2H+ - log_k -17.7456 - delta_h 0 kcal -Cr(OH)2+ + Br- + 2H+ = CrBr+2 + 2H2O - log_k 7.5519 + log_k -7.13 + delta_h 0 kcal +Cr(OH)2+ + 2 H2O = Cr(OH)4- + 2 H+ + log_k -18.15 + delta_h 0 kcal +Cr(OH)2+ = CrO2- + 2 H+ + log_k -17.7456 + delta_h 0 kcal +Cr(OH)2+ + Br- + 2 H+ = CrBr+2 + 2 H2O + log_k 7.5519 delta_h -11.211 kcal -Cr(OH)2+ + Cl- + 2H+ = CrCl+2 + 2H2O - log_k 9.3683 +Cr(OH)2+ + Cl- + 2 H+ = CrCl+2 + 2 H2O + log_k 9.3683 delta_h -13.847 kcal -Cr(OH)2+ + 2Cl- + 2H+ = CrCl2+ + 2H2O - log_k 8.658 - delta_h -9.374 kcal -Cr(OH)2+ + 2Cl- + H+ = CrOHCl2 + H2O - log_k 2.9627 - delta_h 0 kcal -Cr(OH)2+ + F- + 2H+ = CrF+2 + 2H2O - log_k 14.5424 +Cr(OH)2+ + 2 Cl- + 2 H+ = CrCl2+ + 2 H2O + log_k 8.658 + delta_h -9.374 kcal +Cr(OH)2+ + 2 Cl- + H+ = CrOHCl2 + H2O + log_k 2.9627 + delta_h 0 kcal +Cr(OH)2+ + F- + 2 H+ = CrF+2 + 2 H2O + log_k 14.5424 delta_h -16.789 kcal -Cr(OH)2+ + I- + 2H+ = CrI+2 + 2H2O - log_k 4.8289 - delta_h 0 kcal -Cr(OH)2+ + 6NH4+ = Cr(NH3)6+3 + 4H+ + 2H2O - log_k -32.5709 - delta_h 0 kcal -Cr(OH)2+ + 5NH4+ = Cr(NH3)5OH+2 + 4H+ + H2O - log_k -30.2759 - delta_h 0 kcal -Cr(OH)2+ + 4NH4+ = Cr(NH3)4(OH)2+ + 4H+ - log_k -29.8574 - delta_h 0 kcal +Cr(OH)2+ + I- + 2 H+ = CrI+2 + 2 H2O + log_k 4.8289 + delta_h 0 kcal +Cr(OH)2+ + 6 NH4+ = Cr(NH3)6+3 + 4 H+ + 2 H2O + log_k -32.5709 + delta_h 0 kcal +Cr(OH)2+ + 5 NH4+ = Cr(NH3)5OH+2 + 4 H+ + H2O + log_k -30.2759 + delta_h 0 kcal +Cr(OH)2+ + 4 NH4+ = Cr(NH3)4(OH)2+ + 4 H+ + log_k -29.8574 + delta_h 0 kcal # Don't know difference with previous species # MINTEQ had "CCrNH3)4OH2" for one and "TCrNH3)4OH2" # Equations were the same. @@ -1836,364 +1840,364 @@ Cr(OH)2+ + 4NH4+ = Cr(NH3)4(OH)2+ + 4H+ #Cr(OH)2+ + 4NH4+ = Cr(NH3)4(OH)2+ + 4H+ # log_k -30.5537 # delta_h 0 kcal -Cr(OH)2+ + 6NH4+ + Cl- = Cr(NH3)6Cl+2 + 2H2O + 4H+ - log_k -31.7932 - delta_h 0 kcal -Cr(OH)2+ + 6NH4+ + Br- = Cr(NH3)6Br+2 + 4H+ + 2H2O - log_k -31.887 - delta_h 0 kcal -Cr(OH)2+ + 6NH4+ + I- = Cr(NH3)6I+2 + 4H+ + 2H2O - log_k -32.008 - delta_h 0 kcal -Cr(OH)2+ + NO3- + 2H+ = CrNO3+2 + 2H2O - log_k 8.2094 - delta_h -15.64 kcal -Cr(OH)2+ + 4H+ + PO4-3 = CrH2PO4+2 + 2H2O - log_k 31.9068 - delta_h 0 kcal -Cr(OH)2+ + SO4-2 + 2H+ = CrSO4+ + 2H2O - log_k 10.9654 - delta_h -12.62 kcal +Cr(OH)2+ + 6 NH4+ + Cl- = Cr(NH3)6Cl+2 + 2 H2O + 4 H+ + log_k -31.7932 + delta_h 0 kcal +Cr(OH)2+ + 6 NH4+ + Br- = Cr(NH3)6Br+2 + 4 H+ + 2 H2O + log_k -31.887 + delta_h 0 kcal +Cr(OH)2+ + 6 NH4+ + I- = Cr(NH3)6I+2 + 4 H+ + 2 H2O + log_k -32.008 + delta_h 0 kcal +Cr(OH)2+ + NO3- + 2 H+ = CrNO3+2 + 2 H2O + log_k 8.2094 + delta_h -15.64 kcal +Cr(OH)2+ + 4 H+ + PO4-3 = CrH2PO4+2 + 2 H2O + log_k 31.9068 + delta_h 0 kcal +Cr(OH)2+ + SO4-2 + 2 H+ = CrSO4+ + 2 H2O + log_k 10.9654 + delta_h -12.62 kcal Cr(OH)2+ + SO4-2 + H+ = CrOHSO4 + H2O - log_k 8.2754 - delta_h 0 kcal -2Cr(OH)2+ + 2SO4-2 + 2H+ = Cr2(OH)2(SO4)2 + 2H2O - log_k 14.5278 - delta_h 0 kcal + log_k 8.2754 + delta_h 0 kcal +2 Cr(OH)2+ + 2 SO4-2 + 2 H+ = Cr2(OH)2(SO4)2 + 2 H2O + log_k 14.5278 + delta_h 0 kcal # Not sure about these two species # One was "Cr2OH2SO4)S" other was "Cr2OH2SO42" # Equation was the same #2Cr(OH)2+ + 2SO4-2 + 2H+ = Cr2(OH)2(SO4)2 + 2H2O # log_k 17.9288 # delta_h 0 kcal -2Cr(OH)2+ + SO4-2 + 2H+ = Cr2(OH)2SO4+2 + 2H2O - log_k 16.155 - delta_h 0 kcal +2 Cr(OH)2+ + SO4-2 + 2 H+ = Cr2(OH)2SO4+2 + 2 H2O + log_k 16.155 + delta_h 0 kcal CrO4-2 + H+ = HCrO4- - log_k 6.5089 - delta_h 0.9 kcal -CrO4-2 + 2H+ = H2CrO4 - log_k 5.6513 - delta_h 0 kcal -2CrO4-2 + 2H+ = Cr2O7-2 + H2O - log_k 14.5571 - delta_h -2.995 kcal -CrO4-2 + Cl- + 2H+ = CrO3Cl- + H2O - log_k 7.3086 - delta_h 0 kcal -CrO4-2 + 4H+ + PO4-3 = CrO3H2PO4- + H2O - log_k 29.3634 - delta_h 0 kcal -CrO4-2 + 3H+ + PO4-3 = CrO3HPO4-2 + H2O - log_k 26.6806 - delta_h 0 kcal -CrO4-2 + SO4-2 + 2H+ = CrO3SO4-2 + H2O - log_k 8.9937 - delta_h 0 kcal + log_k 6.5089 + delta_h 0.9 kcal +CrO4-2 + 2 H+ = H2CrO4 + log_k 5.6513 + delta_h 0 kcal +2 CrO4-2 + 2 H+ = Cr2O7-2 + H2O + log_k 14.5571 + delta_h -2.995 kcal +CrO4-2 + Cl- + 2 H+ = CrO3Cl- + H2O + log_k 7.3086 + delta_h 0 kcal +CrO4-2 + 4 H+ + PO4-3 = CrO3H2PO4- + H2O + log_k 29.3634 + delta_h 0 kcal +CrO4-2 + 3 H+ + PO4-3 = CrO3HPO4-2 + H2O + log_k 26.6806 + delta_h 0 kcal +CrO4-2 + SO4-2 + 2 H+ = CrO3SO4-2 + H2O + log_k 8.9937 + delta_h 0 kcal CrO4-2 + Na+ = NaCrO4- - log_k 0.6963 - delta_h 0 kcal + log_k 0.6963 + delta_h 0 kcal CrO4-2 + K+ = KCrO4- - log_k 0.799 - delta_h 0 kcal -Ba+2 + Fe+3 + 6Cyanide- = BaFe(Cyanide)6- - log_k 55.4356 - delta_h -69.68 kcal -Ca+2 + H+ + Fe+2 + 6Cyanide- + e- = CaHFe(Cyanide)6-2 - log_k 52.7097 - delta_h -82 kcal -K+ + Fe+2 + 6Cyanide- = KFe(Cyanide)6-3 - log_k 48.1204 - delta_h -84 kcal -2K+ + Fe+2 + 6Cyanide- = K2Fe(Cyanide)6-2 - log_k 48.978 - delta_h -77.3 kcal -K+ + H+ + Fe+2 + 6Cyanide- = KHFe(Cyanide)6-2 - log_k 51.4702 - delta_h -78.1 kcal -2Li+ + Fe+2 + 6Cyanide- = Li2Fe(Cyanide)6-2 - log_k 48.5338 + log_k 0.799 + delta_h 0 kcal +Ba+2 + Fe+3 + 6 Cyanide- = BaFe(Cyanide)6- + log_k 55.4356 + delta_h -69.68 kcal +Ca+2 + H+ + Fe+2 + 6 Cyanide- + e- = CaHFe(Cyanide)6-2 + log_k 52.7097 + delta_h -82 kcal +K+ + Fe+2 + 6 Cyanide- = KFe(Cyanide)6-3 + log_k 48.1204 + delta_h -84 kcal +2 K+ + Fe+2 + 6 Cyanide- = K2Fe(Cyanide)6-2 + log_k 48.978 + delta_h -77.3 kcal +K+ + H+ + Fe+2 + 6 Cyanide- = KHFe(Cyanide)6-2 + log_k 51.4702 + delta_h -78.1 kcal +2 Li+ + Fe+2 + 6 Cyanide- = Li2Fe(Cyanide)6-2 + log_k 48.5338 delta_h -83.498 kcal -Li+ + H+ + Fe+2 + 6Cyanide- = LiHFe(Cyanide)6-2 - log_k 51.2188 +Li+ + H+ + Fe+2 + 6 Cyanide- = LiHFe(Cyanide)6-2 + log_k 51.2188 delta_h -80.999 kcal -NH4+ + Fe+2 + 6Cyanide- = NH4Fe(Cyanide)6-3 - log_k 48.0684 - delta_h -84.5 kcal -NH4+ + H+ + Fe+2 + 6Cyanide- = NH5Fe(Cyanide)6-2 - log_k 51.4035 - delta_h -83.9 kcal -Na+ + Fe+2 + 6Cyanide- = NaFe(Cyanide)6-3 - log_k 47.9885 - delta_h -84.9 kcal -2Na+ + Fe+2 + 6Cyanide- = Na2Fe(Cyanide)6-2 - log_k 48.7435 - delta_h -85 kcal -Na+ + H+ + Fe+2 + 6Cyanide- = NaHFe(Cyanide)6-2 - log_k 51.4335 - delta_h -85.6 kcal -2NH4+ + Fe+2 + 6Cyanide- = (NH4)2FeCyanide6-2 - log_k 48.8666 - delta_h -83 kcal +NH4+ + Fe+2 + 6 Cyanide- = NH4Fe(Cyanide)6-3 + log_k 48.0684 + delta_h -84.5 kcal +NH4+ + H+ + Fe+2 + 6 Cyanide- = NH5Fe(Cyanide)6-2 + log_k 51.4035 + delta_h -83.9 kcal +Na+ + Fe+2 + 6 Cyanide- = NaFe(Cyanide)6-3 + log_k 47.9885 + delta_h -84.9 kcal +2 Na+ + Fe+2 + 6 Cyanide- = Na2Fe(Cyanide)6-2 + log_k 48.7435 + delta_h -85 kcal +Na+ + H+ + Fe+2 + 6 Cyanide- = NaHFe(Cyanide)6-2 + log_k 51.4335 + delta_h -85.6 kcal +2 NH4+ + Fe+2 + 6 Cyanide- = (NH4)2FeCyanide6-2 + log_k 48.8666 + delta_h -83 kcal Cyanide- + Ag+ + H2O = Ag(Cyanide)OH- + H+ - log_k -0.56 - delta_h 0 kcal -2Cyanide- + Ag+ = Ag(Cyanide)2- - log_k 20.3814 + log_k -0.56 + delta_h 0 kcal +2 Cyanide- + Ag+ = Ag(Cyanide)2- + log_k 20.3814 delta_h -32.675 kcal -6Cyanide- + 2K+ + 2H+ + Fe+2 = K2H2Fe(Cyanide)6 - log_k 52.3058 - delta_h -85.86 kcal -6Cyanide- + Ca+2 + Fe+3 = CaFe(Cyanide)6- - log_k 55.473 - delta_h -69.5 kcal -6Cyanide- + Ca+2 + Fe+2 = CaFe(Cyanide)6-2 - log_k 49.6898 - delta_h -83.1 kcal -6Cyanide- + 2Ca+2 + Fe+2 = Ca2Fe(Cyanide)6 - log_k 50.9952 - delta_h -83.7 kcal +6 Cyanide- + 2 K+ + 2 H+ + Fe+2 = K2H2Fe(Cyanide)6 + log_k 52.3058 + delta_h -85.86 kcal +6 Cyanide- + Ca+2 + Fe+3 = CaFe(Cyanide)6- + log_k 55.473 + delta_h -69.5 kcal +6 Cyanide- + Ca+2 + Fe+2 = CaFe(Cyanide)6-2 + log_k 49.6898 + delta_h -83.1 kcal +6 Cyanide- + 2 Ca+2 + Fe+2 = Ca2Fe(Cyanide)6 + log_k 50.9952 + delta_h -83.7 kcal Cyanide- + Cd+2 = CdCyanide+ - log_k 5.32 - delta_h 0 kcal -2Cyanide- + Cd+2 = Cd(Cyanide)2 - log_k 10.3703 - delta_h -13 kcal -3Cyanide- + Cd+2 = Cd(Cyanide)3- - log_k 14.8341 - delta_h -21.6 kcal -4Cyanide- + Cd+2 = Cd(Cyanide)4-2 - log_k 18.2938 - delta_h -23.56 kcal -4Cyanide- + Cu+ = Cu(Cyanide)4-3 - log_k 30.3456 - delta_h -51.4 kcal -2Cyanide- + Cu+ = Cu(Cyanide)2- - log_k 24.0272 - delta_h -29.1 kcal -3Cyanide- + Cu+ = Cu(Cyanide)3-2 - log_k 28.6524 - delta_h -40.2 kcal -6Cyanide- + Fe+2 = Fe(Cyanide)6-4 - log_k 45.6063 - delta_h -85.8 kcal -6Cyanide- + Fe+2 + H+ = HFe(Cyanide)6-3 - log_k 49.9969 - delta_h -84.16 kcal -6Cyanide- + 2H+ + Fe+2 = H2Fe(Cyanide)6-2 - log_k 52.445 - delta_h -83.1 kcal -6Cyanide- + Fe+3 = Fe(Cyanide)6-3 - log_k 52.6283 - delta_h -70.1 kcal + log_k 5.32 + delta_h 0 kcal +2 Cyanide- + Cd+2 = Cd(Cyanide)2 + log_k 10.3703 + delta_h -13 kcal +3 Cyanide- + Cd+2 = Cd(Cyanide)3- + log_k 14.8341 + delta_h -21.6 kcal +4 Cyanide- + Cd+2 = Cd(Cyanide)4-2 + log_k 18.2938 + delta_h -23.56 kcal +4 Cyanide- + Cu+ = Cu(Cyanide)4-3 + log_k 30.3456 + delta_h -51.4 kcal +2 Cyanide- + Cu+ = Cu(Cyanide)2- + log_k 24.0272 + delta_h -29.1 kcal +3 Cyanide- + Cu+ = Cu(Cyanide)3-2 + log_k 28.6524 + delta_h -40.2 kcal +6 Cyanide- + Fe+2 = Fe(Cyanide)6-4 + log_k 45.6063 + delta_h -85.8 kcal +6 Cyanide- + Fe+2 + H+ = HFe(Cyanide)6-3 + log_k 49.9969 + delta_h -84.16 kcal +6 Cyanide- + 2 H+ + Fe+2 = H2Fe(Cyanide)6-2 + log_k 52.445 + delta_h -83.1 kcal +6 Cyanide- + Fe+3 = Fe(Cyanide)6-3 + log_k 52.6283 + delta_h -70.1 kcal Cyanide- + H+ = HCyanide - log_k 9.2356 - delta_h -10.4 kcal + log_k 9.2356 + delta_h -10.4 kcal Cyanate- + H+ = HCyanate - log_k 3.445 - delta_h -2 kcal -Cyanide- + Hg(OH)2 + 2H+ = HgCyanide+ + 2H2O - log_k 24.1738 - delta_h -33.83 kcal -2Cyanide- + Hg(OH)2 + 2H+ = Hg(Cyanide)2 + 2H2O - log_k 40.6513 - delta_h -57.24 kcal -3Cyanide- + Hg(OH)2 + 2H+ = Hg(Cyanide)3- + 2H2O - log_k 44.4042 - delta_h -64.83 kcal -4Cyanide- + Hg(OH)2 + 2H+ = Hg(Cyanide)4-2 + 2H2O - log_k 47.4094 - delta_h -69.93 kcal -2Cyanide- + Cl- + Hg(OH)2 + 2H+ = Hg(Cyanide)2Cl- + 2H2O - log_k 40.3735 - delta_h 0 kcal -3Cyanide- + Cl- + Hg(OH)2 + 2H+ = Hg(Cyanide)3Cl-2 + 2H2O - log_k 43.8332 - delta_h 0 kcal -3Cyanide- + Br- + Hg(OH)2 + 2H+ = Hg(Cyanide)3Br-2 + 2H2O - log_k 44.9415 - delta_h 0 kcal -Cyanide- + 2I- = I2Cyanide- + 2e- - log_k -11.848 - delta_h 0 kcal -2Cyanide- + I- = I(Cyanide)2- + 2e- - log_k -11.458 - delta_h 0 kcal -6Cyanide- + 3K+ + H+ + Fe+2 = K3HFe(Cyanide)6 - log_k 50.2241 - delta_h -85.99 kcal -6Cyanide- + Li+ + Fe+2 = LiFe(Cyanide)6-3 - log_k 47.6858 + log_k 3.445 + delta_h -2 kcal +Cyanide- + Hg(OH)2 + 2 H+ = HgCyanide+ + 2 H2O + log_k 24.1738 + delta_h -33.83 kcal +2 Cyanide- + Hg(OH)2 + 2 H+ = Hg(Cyanide)2 + 2 H2O + log_k 40.6513 + delta_h -57.24 kcal +3 Cyanide- + Hg(OH)2 + 2 H+ = Hg(Cyanide)3- + 2 H2O + log_k 44.4042 + delta_h -64.83 kcal +4 Cyanide- + Hg(OH)2 + 2 H+ = Hg(Cyanide)4-2 + 2 H2O + log_k 47.4094 + delta_h -69.93 kcal +2 Cyanide- + Cl- + Hg(OH)2 + 2 H+ = Hg(Cyanide)2Cl- + 2 H2O + log_k 40.3735 + delta_h 0 kcal +3 Cyanide- + Cl- + Hg(OH)2 + 2 H+ = Hg(Cyanide)3Cl-2 + 2 H2O + log_k 43.8332 + delta_h 0 kcal +3 Cyanide- + Br- + Hg(OH)2 + 2 H+ = Hg(Cyanide)3Br-2 + 2 H2O + log_k 44.9415 + delta_h 0 kcal +Cyanide- + 2 I- = I2Cyanide- + 2 e- + log_k -11.848 + delta_h 0 kcal +2 Cyanide- + I- = I(Cyanide)2- + 2 e- + log_k -11.458 + delta_h 0 kcal +6 Cyanide- + 3 K+ + H+ + Fe+2 = K3HFe(Cyanide)6 + log_k 50.2241 + delta_h -85.99 kcal +6 Cyanide- + Li+ + Fe+2 = LiFe(Cyanide)6-3 + log_k 47.6858 delta_h -80.149 kcal -6Cyanide- + Mg+2 + Fe+3 = MgFe(Cyanide)6- - log_k 55.3916 - delta_h -69.31 kcal -6Cyanide- + Mg+2 + Fe+2 = MgFe(Cyanide)6-2 - log_k 49.4251 - delta_h 0 kcal -4Cyanide- + Ni+2 = Ni(Cyanide)4-2 - log_k 30.1257 - delta_h -43.19 kcal -Sr+2 + Fe+3 + 6Cyanide- = SrFe(Cyanide)6- - log_k 55.6181 - delta_h -69.83 kcal -4Cyanide- + Tl+ = Tl(Cyanide)4- + 2e- - log_k -8.0189 - delta_h 0 kcal -6Cyanide- + Tl+ + Fe+2 = TlFe(Cyanide)6-3 - log_k 48.7508 - delta_h -84.88 kcal -4Cyanide- + Zn+2 = Zn(Cyanide)4-2 - log_k 16.715 +6 Cyanide- + Mg+2 + Fe+3 = MgFe(Cyanide)6- + log_k 55.3916 + delta_h -69.31 kcal +6 Cyanide- + Mg+2 + Fe+2 = MgFe(Cyanide)6-2 + log_k 49.4251 + delta_h 0 kcal +4 Cyanide- + Ni+2 = Ni(Cyanide)4-2 + log_k 30.1257 + delta_h -43.19 kcal +Sr+2 + Fe+3 + 6 Cyanide- = SrFe(Cyanide)6- + log_k 55.6181 + delta_h -69.83 kcal +4 Cyanide- + Tl+ = Tl(Cyanide)4- + 2 e- + log_k -8.0189 + delta_h 0 kcal +6 Cyanide- + Tl+ + Fe+2 = TlFe(Cyanide)6-3 + log_k 48.7508 + delta_h -84.88 kcal +4 Cyanide- + Zn+2 = Zn(Cyanide)4-2 + log_k 16.715 delta_h -25.539 kcal -3Cyanide- + Zn+2 = Zn(Cyanide)3- - log_k 16.048 +3 Cyanide- + Zn+2 = Zn(Cyanide)3- + log_k 16.048 delta_h -20.199 kcal -2Cyanide- + Zn+2 = Zn(Cyanide)2 - log_k 11.071 +2 Cyanide- + Zn+2 = Zn(Cyanide)2 + log_k 11.071 delta_h -10.999 kcal -3Cyanide- + Ni+2 = Ni(Cyanide)3- - log_k 22.6346 - delta_h 0 kcal -4Cyanide- + Ni+2 + H+ = NiH(Cyanide)4- - log_k 36.7482 - delta_h 0 kcal -4Cyanide- + Ni+2 + 2H+ = NiH2Cyanide4 - log_k 41.4576 - delta_h 0 kcal -4Cyanide- + Ni+2 + 3H+ = NiH3(Cyanide)4+ - log_k 43.9498 - delta_h 0 kcal -2Cyanide- + Ni+2 = Ni(Cyanide)2 - log_k 14.5864 - delta_h 0 kcal -6Cyanide- + 2Fe+3 = Fe2(Cyanide)6 - log_k 56.9822 - delta_h 0 kcal -2Cyanate- + Ag+ = Ag(Cyanate)2- - log_k 5.0034 - delta_h 0 kcal -3Cyanide- + Ag+ = Ag(Cyanide)3-2 - log_k 21.4002 +3 Cyanide- + Ni+2 = Ni(Cyanide)3- + log_k 22.6346 + delta_h 0 kcal +4 Cyanide- + Ni+2 + H+ = NiH(Cyanide)4- + log_k 36.7482 + delta_h 0 kcal +4 Cyanide- + Ni+2 + 2 H+ = NiH2Cyanide4 + log_k 41.4576 + delta_h 0 kcal +4 Cyanide- + Ni+2 + 3 H+ = NiH3(Cyanide)4+ + log_k 43.9498 + delta_h 0 kcal +2 Cyanide- + Ni+2 = Ni(Cyanide)2 + log_k 14.5864 + delta_h 0 kcal +6 Cyanide- + 2 Fe+3 = Fe2(Cyanide)6 + log_k 56.9822 + delta_h 0 kcal +2 Cyanate- + Ag+ = Ag(Cyanate)2- + log_k 5.0034 + delta_h 0 kcal +3 Cyanide- + Ag+ = Ag(Cyanide)3-2 + log_k 21.4002 delta_h -33.495 kcal -6Cyanide- + Fe+2 + Ba+2 = BaFe(Cyanide)6-2 - log_k 49.4032 - delta_h 0 kcal +6 Cyanide- + Fe+2 + Ba+2 = BaFe(Cyanide)6-2 + log_k 49.4032 + delta_h 0 kcal Acetate- + H+ = HAcetate - log_k 4.76 - delta_h 0 kcal - -gamma 0 0.06 + log_k 4.76 + delta_h 0 kcal + -gamma 0 0.06 Tartrate-2 + H+ = HTartrate- - log_k 4.16 - delta_h 0 kcal - -gamma 0 0.01 -Tartrate-2 + 2H+ = H2Tartrate - log_k 6.67 - delta_h 0 kcal - -gamma 0 0.01 + log_k 4.16 + delta_h 0 kcal + -gamma 0 0.01 +Tartrate-2 + 2 H+ = H2Tartrate + log_k 6.67 + delta_h 0 kcal + -gamma 0 0.01 Glycine- + H+ = HGlycine - log_k 9.78 - delta_h 0 kcal - -gamma 0 0.07 -Glycine- + 2H+ = H2Glycine+ - log_k 12.12 - delta_h 0 kcal - -gamma 0 0.07 + log_k 9.78 + delta_h 0 kcal + -gamma 0 0.07 +Glycine- + 2 H+ = H2Glycine+ + log_k 12.12 + delta_h 0 kcal + -gamma 0 0.07 Salicylate-2 + H+ = HSalicylate- - log_k 13.4 - delta_h 0 kcal - -gamma 0 0.01 -Salicylate-2 + 2H+ = H2Salicylate - log_k 16.4 - delta_h 0 kcal - -gamma 0 0.01 + log_k 13.4 + delta_h 0 kcal + -gamma 0 0.01 +Salicylate-2 + 2 H+ = H2Salicylate + log_k 16.4 + delta_h 0 kcal + -gamma 0 0.01 Glutamate-2 + H+ = HGlutamate- - log_k 9.95 - delta_h 0 kcal - -gamma 0 0.01 -Glutamate-2 + 2H+ = H2Glutamate - log_k 14.37 - delta_h 0 kcal - -gamma 0 0.01 + log_k 9.95 + delta_h 0 kcal + -gamma 0 0.01 +Glutamate-2 + 2 H+ = H2Glutamate + log_k 14.37 + delta_h 0 kcal + -gamma 0 0.01 Phthalate-2 + H+ = HPhthalate- - log_k 5.4 - delta_h 0 kcal - -gamma 0 0.01 -Phthalate-2 + 2H+ = H2Phthalate - log_k 8.35 - delta_h 0 kcal - -gamma 0 0.01 + log_k 5.4 + delta_h 0 kcal + -gamma 0 0.01 +Phthalate-2 + 2 H+ = H2Phthalate + log_k 8.35 + delta_h 0 kcal + -gamma 0 0.01 Cd+2 + Acetate- = CdAcetate+ - log_k 1.93 - delta_h 0 kcal - -gamma 0 0.01 + log_k 1.93 + delta_h 0 kcal + -gamma 0 0.01 Cd+2 + Tartrate-2 = CdTartrate - log_k 3.9 - delta_h 0 kcal - -gamma 0 0.02 + log_k 3.9 + delta_h 0 kcal + -gamma 0 0.02 Cd+2 + Glycine- = CdGlycine+ - log_k 4.8 - delta_h 0 kcal -Cd+2 + 2Glycine- = CdGlycine2 - log_k 8.4 - delta_h 0 kcal + log_k 4.8 + delta_h 0 kcal +Cd+2 + 2 Glycine- = CdGlycine2 + log_k 8.4 + delta_h 0 kcal Cd+2 + Glutamate-2 = CdGlutamate - log_k 4.78 - delta_h 0 kcal -Cd+2 + 2Glutamate-2 = CdGlutamate2-2 - log_k 2.78 - delta_h 0 kcal + log_k 4.78 + delta_h 0 kcal +Cd+2 + 2 Glutamate-2 = CdGlutamate2-2 + log_k 2.78 + delta_h 0 kcal Cd+2 + Phthalate-2 = CdPhthalate - log_k 2.5 - delta_h 0 kcal + log_k 2.5 + delta_h 0 kcal Pb+2 + Tartrate-2 = PbTartrate - log_k 3.78 - delta_h 0 kcal + log_k 3.78 + delta_h 0 kcal Pb+2 + Glycine- = PbGlycine+ - log_k 5.47 - delta_h 0 kcal -Pb+2 + 2Glycine- = PbGlycine2 - log_k 8.32 - delta_h 0 kcal + log_k 5.47 + delta_h 0 kcal +Pb+2 + 2 Glycine- = PbGlycine2 + log_k 8.32 + delta_h 0 kcal Ba+2 + Acetate- = BaAcetate+ - log_k 1.07 - delta_h 0 kcal + log_k 1.07 + delta_h 0 kcal Ba+2 + Tartrate-2 = BaTartrate - log_k 2.54 - delta_h 0 kcal + log_k 2.54 + delta_h 0 kcal Ba+2 + Glycine- = BaGlycine+ - log_k 0.77 - delta_h 0 kcal + log_k 0.77 + delta_h 0 kcal Ba+2 + Salicylate-2 = BaSalicylate - log_k 0.21 - delta_h 0 kcal + log_k 0.21 + delta_h 0 kcal Ba+2 + Glutamate-2 = BaGlutamate - log_k 1.28 - delta_h 0 kcal + log_k 1.28 + delta_h 0 kcal Ba+2 + Phthalate-2 = BaPhthalate - log_k 2.33 - delta_h 0 kcal + log_k 2.33 + delta_h 0 kcal Ag+ + Acetate- = AgAcetate - log_k 0.73 - delta_h 0 kcal -Ag+ + 2Acetate- = AgAcetate2- - log_k 0.64 - delta_h 0 kcal + log_k 0.73 + delta_h 0 kcal +Ag+ + 2 Acetate- = AgAcetate2- + log_k 0.64 + delta_h 0 kcal Ag+ + Glycine- = AgGlycine - log_k 3.51 - delta_h 0 kcal -Ag+ + 2Glycine- = AgGlycine2- - log_k 3.38 - delta_h 0 kcal -Cr(OH)2+ + Acetate- + 2H+ = CrAcetate+2 + 2H2O - log_k 14.25 - delta_h 0 kcal -Cr(OH)2+ + 2Acetate- + 2H+ = CrAcetate2+ + 2H2O - log_k 16.68 - delta_h 0 kcal -Cr(OH)2+ + 3Acetate- + 2H+ = CrAcetate3 + 2H2O - log_k 19.2 - delta_h 0 kcal + log_k 3.51 + delta_h 0 kcal +Ag+ + 2 Glycine- = AgGlycine2- + log_k 3.38 + delta_h 0 kcal +Cr(OH)2+ + Acetate- + 2 H+ = CrAcetate+2 + 2 H2O + log_k 14.25 + delta_h 0 kcal +Cr(OH)2+ + 2 Acetate- + 2 H+ = CrAcetate2+ + 2 H2O + log_k 16.68 + delta_h 0 kcal +Cr(OH)2+ + 3 Acetate- + 2 H+ = CrAcetate3 + 2 H2O + log_k 19.2 + delta_h 0 kcal # Could not interpret MINTEQ data #Cr(OH)2+ + Glycine- = CrGlycine+2 # log_k 8.4 @@ -2204,2654 +2208,2654 @@ Cr(OH)2+ + 3Acetate- + 2H+ = CrAcetate3 + 2H2O #Cr(OH)2+ + 3Glycine- = CrGlycine3- # log_k 5.7 # delta_h 0 kcal -Cr(OH)2+ + Phthalate-2 + 2H+ = CrPhthalate+ + 2H2O - log_k 15.14 - delta_h 0 kcal -Cr(OH)2+ + 2Phthalate-2 + 2H+ = CrPhthalate2- + 2H2O - log_k 19.62 - delta_h 0 kcal -Cr(OH)2+ + 3Phthalate-2 + 2H+ = CrPhthalate3-3 + 2H2O - log_k 22.1 - delta_h 0 kcal +Cr(OH)2+ + Phthalate-2 + 2 H+ = CrPhthalate+ + 2 H2O + log_k 15.14 + delta_h 0 kcal +Cr(OH)2+ + 2 Phthalate-2 + 2 H+ = CrPhthalate2- + 2 H2O + log_k 19.62 + delta_h 0 kcal +Cr(OH)2+ + 3 Phthalate-2 + 2 H+ = CrPhthalate3-3 + 2 H2O + log_k 22.1 + delta_h 0 kcal Tl+ + Tartrate-2 = TlTartrate- - log_k 1.39 - delta_h 0 kcal + log_k 1.39 + delta_h 0 kcal Hg2+2 + Glycine- = Hg2Glycine+ - log_k 10.8 - delta_h 0 kcal -Hg2+2 + 2Glycine- = Hg2Glycine2 - log_k 20 - delta_h 0 kcal + log_k 10.8 + delta_h 0 kcal +Hg2+2 + 2 Glycine- = Hg2Glycine2 + log_k 20 + delta_h 0 kcal Cd+2 + Butanoate- = CdButanoate+ - log_k 1.25 - delta_h 0 kcal + log_k 1.25 + delta_h 0 kcal Cd+2 + Citrate-3 = CdCitrate- - log_k 5.3 - delta_h 0 kcal -Cd+2 + Citrate-3 + 2H+ = CdH2Citrate+ - log_k 2.05 - delta_h 0 kcal + log_k 5.3 + delta_h 0 kcal +Cd+2 + Citrate-3 + 2 H+ = CdH2Citrate+ + log_k 2.05 + delta_h 0 kcal Cd+2 + Citrate-3 + H+ = CdHCitrate - log_k 3.37 - delta_h 0 kcal -Cd+2 + 2Citrate-3 = CdCitrate2-4 - log_k 5.34 - delta_h 0 kcal + log_k 3.37 + delta_h 0 kcal +Cd+2 + 2 Citrate-3 = CdCitrate2-4 + log_k 5.34 + delta_h 0 kcal Cd+2 + Edta-4 + H+ = CdHEdta- - log_k 2.9 - delta_h 0 kcal -Cd+2 + 2Acetate- = CdAcetate2 - log_k 3.15 - delta_h 0 kcal -Cd+2 + 3Acetate- = CdAcetate3- - log_k 2.17 - delta_h 0 kcal -Cd+2 + 4Acetate- = CdAcetate4-2 - log_k 2.04 - delta_h 0 kcal + log_k 2.9 + delta_h 0 kcal +Cd+2 + 2 Acetate- = CdAcetate2 + log_k 3.15 + delta_h 0 kcal +Cd+2 + 3 Acetate- = CdAcetate3- + log_k 2.17 + delta_h 0 kcal +Cd+2 + 4 Acetate- = CdAcetate4-2 + log_k 2.04 + delta_h 0 kcal Cd+2 + Diethylamine = CdDiethylamine+2 - log_k 2.62 - delta_h 0 kcal -Cd+2 + 2Diethylamine = CdDiethylamine2+2 - log_k 4.86 - delta_h 0 kcal -Cd+2 + 3Diethylamine = CdDiethylamine3+2 - log_k 6.36 - delta_h 0 kcal -Cd+2 + 4Diethylamine = CdDiethylamine4+2 - log_k 7.31 - delta_h 0 kcal + log_k 2.62 + delta_h 0 kcal +Cd+2 + 2 Diethylamine = CdDiethylamine2+2 + log_k 4.86 + delta_h 0 kcal +Cd+2 + 3 Diethylamine = CdDiethylamine3+2 + log_k 6.36 + delta_h 0 kcal +Cd+2 + 4 Diethylamine = CdDiethylamine4+2 + log_k 7.31 + delta_h 0 kcal Cd+2 + Propanoate- = CdPropanoate+ - log_k 1.19 - delta_h 0 kcal -Cd+2 + 2Propanoate- = CdPropanoate2 - log_k 1.86 - delta_h 0 kcal -Cd+2 + 3Propanoate- = CdPropanoate3- - log_k 2.345 - delta_h 0 kcal -Cd+2 + 4Propanoate- = CdPropanoate4-2 - log_k 1.98 - delta_h 0 kcal -Cd+2 + 2Butanoate- = CdButanoate2 - log_k 1.98 - delta_h 0 kcal -Cd+2 + 3Butanoate- = CdButanoate3- - log_k 2.34 - delta_h 0 kcal -Cd+2 + 4Butanoate- = CdButanoate4-2 - log_k 1.98 - delta_h 0 kcal + log_k 1.19 + delta_h 0 kcal +Cd+2 + 2 Propanoate- = CdPropanoate2 + log_k 1.86 + delta_h 0 kcal +Cd+2 + 3 Propanoate- = CdPropanoate3- + log_k 2.345 + delta_h 0 kcal +Cd+2 + 4 Propanoate- = CdPropanoate4-2 + log_k 1.98 + delta_h 0 kcal +Cd+2 + 2 Butanoate- = CdButanoate2 + log_k 1.98 + delta_h 0 kcal +Cd+2 + 3 Butanoate- = CdButanoate3- + log_k 2.34 + delta_h 0 kcal +Cd+2 + 4 Butanoate- = CdButanoate4-2 + log_k 1.98 + delta_h 0 kcal Cd+2 + Npropylamine = CdNpropylamine+2 - log_k 2.62 - delta_h 0 kcal -Cd+2 + 2Npropylamine = CdNpropylamine2+2 - log_k 4.64 - delta_h 0 kcal -Cd+2 + 3Npropylamine = CdNpropylamine3+2 - log_k 6.03 - delta_h 0 kcal + log_k 2.62 + delta_h 0 kcal +Cd+2 + 2 Npropylamine = CdNpropylamine2+2 + log_k 4.64 + delta_h 0 kcal +Cd+2 + 3 Npropylamine = CdNpropylamine3+2 + log_k 6.03 + delta_h 0 kcal Cd+2 + Isopropylamine = CdIsopropylamine+2 - log_k 2.55 - delta_h 0 kcal -Cd+2 + 2Isopropylamine = CdIsopropylamine2+2 - log_k 4.57 - delta_h 0 kcal -Cd+2 + 3Isopropylamine = CdIsopropylamine3+2 - log_k 6.07 - delta_h 0 kcal -Cd+2 + 4Isopropylamine = CdIsopropylamine4+2 - log_k 6.9 - delta_h 0 kcal + log_k 2.55 + delta_h 0 kcal +Cd+2 + 2 Isopropylamine = CdIsopropylamine2+2 + log_k 4.57 + delta_h 0 kcal +Cd+2 + 3 Isopropylamine = CdIsopropylamine3+2 + log_k 6.07 + delta_h 0 kcal +Cd+2 + 4 Isopropylamine = CdIsopropylamine4+2 + log_k 6.9 + delta_h 0 kcal Benzoate- + H+ = HBenzoate - log_k 4.2 - delta_h 0 kcal -Para_acetate- + 2H+ = H2Para_acetate+ - log_k 4.31 - delta_h 0 kcal + log_k 4.2 + delta_h 0 kcal +Para_acetate- + 2 H+ = H2Para_acetate+ + log_k 4.31 + delta_h 0 kcal Isophthalate-2 + H+ = HIsophthalate- - log_k 3.5 - delta_h 0 kcal -Isophthalate-2 + 2H+ = H2Isophthalate - log_k 8 - delta_h 0 kcal + log_k 3.5 + delta_h 0 kcal +Isophthalate-2 + 2 H+ = H2Isophthalate + log_k 8 + delta_h 0 kcal Propanoate- + Fe+3 = FePropanoate+2 - log_k 3.4 - delta_h 0 kcal + log_k 3.4 + delta_h 0 kcal Isobutyrate- + Fe+3 = FeIsobutyrate+2 - log_k 3.6 - delta_h 0 kcal + log_k 3.6 + delta_h 0 kcal Butanoate- + Fe+3 = FeButanoate+2 - log_k 5.56 - delta_h 0 kcal + log_k 5.56 + delta_h 0 kcal Isovalerate- + Fe+3 = FeIsovalerate+2 - log_k 5.58 - delta_h 0 kcal + log_k 5.58 + delta_h 0 kcal Valerate- + Fe+3 = FeValerate+2 - log_k 5.58 - delta_h 0 kcal + log_k 5.58 + delta_h 0 kcal Benzoate- + Cu+2 = CuBenzoate+ - log_k 2.1 - delta_h 0 kcal + log_k 2.1 + delta_h 0 kcal Para_acetate- + Cu+2 = CuPara_acetate+ - log_k 1.97 - delta_h 0 kcal + log_k 1.97 + delta_h 0 kcal Isobutyrate- + Ba+2 = BaIsobutyrate+ - log_k 0.64 - delta_h 0 kcal + log_k 0.64 + delta_h 0 kcal Isovalerate- + Ba+2 = BaIsovalerate+ - log_k 0.68 - delta_h 0 kcal + log_k 0.68 + delta_h 0 kcal Valerate- + Ba+2 = BaValerate+ - log_k 0.66 - delta_h 0 kcal + log_k 0.66 + delta_h 0 kcal Isophthalate-2 + Ba+2 = BaIsophthalate - log_k 1.55 - delta_h 0 kcal + log_k 1.55 + delta_h 0 kcal Isobutyrate- + Cd+2 = CdIsobutyrate+ - log_k 1.17 - delta_h 0 kcal + log_k 1.17 + delta_h 0 kcal Valerate- + Cd+2 = CdValerate+ - log_k 1.19 - delta_h 0 kcal + log_k 1.19 + delta_h 0 kcal Benzoate- + Cd+2 = CdBenzoate+ - log_k 1.9 - delta_h 0 kcal -2Benzoate- + Cd+2 = CdBenzoate2 - log_k 1.65 - delta_h 0 kcal + log_k 1.9 + delta_h 0 kcal +2 Benzoate- + Cd+2 = CdBenzoate2 + log_k 1.65 + delta_h 0 kcal Para_acetate- + Zn+2 = ZnPara_acetate+ - log_k 1.67 - delta_h 0 kcal + log_k 1.67 + delta_h 0 kcal Para_acetate- + Cd+2 = CdPara_acetate+ - log_k 1.15 - delta_h 0 kcal -2Para_acetate- + Cd+2 = CdPara_acetate2 - log_k 1.92 - delta_h 0 kcal + log_k 1.15 + delta_h 0 kcal +2 Para_acetate- + Cd+2 = CdPara_acetate2 + log_k 1.92 + delta_h 0 kcal Isophthalate-2 + Cd+2 = CdIsophthalate - log_k 1.33 - delta_h 0 kcal -2Isophthalate-2 + Cd+2 = CdIsophthalate2-2 - log_k 2.17 - delta_h 0 kcal -2Isophthalate-2 + Cd+2 + H+ = CdIsophthalate2H- - log_k 5.32 - delta_h 0 kcal -2H+ + Isobutyrate- + Cr(OH)2+ = CrIsobutyrate+2 + 2H2O - log_k 12.73 - delta_h 0 kcal -2H+ + Butanoate- + Cr(OH)2+ = CrButanoate+2 + 2H2O - log_k 12.74 - delta_h 0 kcal -2H+ + Isovalerate- + Cr(OH)2+ = CrIsovalerate+2 + 2H2O - log_k 12.76 - delta_h 0 kcal -2H+ + Valerate- + Cr(OH)2+ = CrValerate+2 + 2H2O - log_k 12.75 - delta_h 0 kcal + log_k 1.33 + delta_h 0 kcal +2 Isophthalate-2 + Cd+2 = CdIsophthalate2-2 + log_k 2.17 + delta_h 0 kcal +2 Isophthalate-2 + Cd+2 + H+ = CdIsophthalate2H- + log_k 5.32 + delta_h 0 kcal +2 H+ + Isobutyrate- + Cr(OH)2+ = CrIsobutyrate+2 + 2 H2O + log_k 12.73 + delta_h 0 kcal +2 H+ + Butanoate- + Cr(OH)2+ = CrButanoate+2 + 2 H2O + log_k 12.74 + delta_h 0 kcal +2 H+ + Isovalerate- + Cr(OH)2+ = CrIsovalerate+2 + 2 H2O + log_k 12.76 + delta_h 0 kcal +2 H+ + Valerate- + Cr(OH)2+ = CrValerate+2 + 2 H2O + log_k 12.75 + delta_h 0 kcal Isobutyrate- + Pb+2 = PbIsobutyrate+ - log_k 2.67 - delta_h 0 kcal + log_k 2.67 + delta_h 0 kcal Isovalerate- + Pb+2 = PbIsovalerate+ - log_k 2.05 - delta_h 0 kcal + log_k 2.05 + delta_h 0 kcal Valerate- + Pb+2 = PbValerate+ - log_k 2.06 - delta_h 0 kcal + log_k 2.06 + delta_h 0 kcal Benzoate- + Pb+2 = PbBenzoate+ - log_k 2.5 - delta_h 0 kcal + log_k 2.5 + delta_h 0 kcal Benzoate- + Mg+2 = MgBenzoate+ - log_k 0.1 - delta_h 0 kcal + log_k 0.1 + delta_h 0 kcal Benzoate- + Ca+2 = CaBenzoate+ - log_k 0.2 - delta_h 0 kcal + log_k 0.2 + delta_h 0 kcal Benzoate- + Zn+2 = ZnBenzoate+ - log_k 1.4 - delta_h 0 kcal + log_k 1.4 + delta_h 0 kcal Isophthalate-2 + Pb+2 = PbIsophthalate - log_k 2.17 - delta_h 0 kcal -2Isophthalate-2 + Pb+2 = PbIsophthalate2-2 - log_k 3.36 - delta_h 0 kcal + log_k 2.17 + delta_h 0 kcal +2 Isophthalate-2 + Pb+2 = PbIsophthalate2-2 + log_k 3.36 + delta_h 0 kcal Isophthalate-2 + Pb+2 + H+ = PbIsophthalateH+ - log_k 6.28 - delta_h 0 kcal -2H+ + Isobutyrate- + Hg(OH)2 = HgIsobutyrate+ + 2H2O - log_k 10.687 - delta_h 0 kcal -2H+ + Butanoate- + Hg(OH)2 = HgButanoate+ + 2H2O - log_k 10.097 - delta_h 0 kcal -2H+ + Isovalerate- + Hg(OH)2 = HgIsovalerate+ + 2H2O - log_k 10.717 - delta_h 0 kcal -2H+ + Valerate- + Hg(OH)2 = HgValerate+ + 2H2O - log_k 10.727 - delta_h 0 kcal -2H+ + Phthalate-2 + Hg(OH)2 = HgPhthalate + 2H2O - log_k 10.997 - delta_h 0 kcal + log_k 6.28 + delta_h 0 kcal +2 H+ + Isobutyrate- + Hg(OH)2 = HgIsobutyrate+ + 2 H2O + log_k 10.687 + delta_h 0 kcal +2 H+ + Butanoate- + Hg(OH)2 = HgButanoate+ + 2 H2O + log_k 10.097 + delta_h 0 kcal +2 H+ + Isovalerate- + Hg(OH)2 = HgIsovalerate+ + 2 H2O + log_k 10.717 + delta_h 0 kcal +2 H+ + Valerate- + Hg(OH)2 = HgValerate+ + 2 H2O + log_k 10.727 + delta_h 0 kcal +2 H+ + Phthalate-2 + Hg(OH)2 = HgPhthalate + 2 H2O + log_k 10.997 + delta_h 0 kcal Isobutyrate- + Ni+2 = NiIsobutyrate+ - log_k 1.23 - delta_h 0 kcal + log_k 1.23 + delta_h 0 kcal Isovalerate- + Ni+2 = NiIsovalerate+ - log_k 1.27 - delta_h 0 kcal + log_k 1.27 + delta_h 0 kcal Valerate- + Ni+2 = NiValerate+ - log_k 1.26 - delta_h 0 kcal + log_k 1.26 + delta_h 0 kcal Benzoate- + Ni+2 = NiBenzoate+ - log_k 1.4 - delta_h 0 kcal + log_k 1.4 + delta_h 0 kcal Para_acetate- + Ni+2 = NiPara_acetate+ - log_k 0.65 - delta_h 0 kcal -2Para_acetate- + Ni+2 = NiPara_acetate2 - log_k 0.99 - delta_h 0 kcal + log_k 0.65 + delta_h 0 kcal +2 Para_acetate- + Ni+2 = NiPara_acetate2 + log_k 0.99 + delta_h 0 kcal Phthalate-2 + Ni+2 + H+ = NiPhthalateH+ - log_k 6.1 - delta_h 0 kcal + log_k 6.1 + delta_h 0 kcal Cr+2 + Edta-4 + H+ = CrHEdta- - log_k 6.1 - delta_h 0 kcal -Cr(OH)2+ + Propanoate- + 2H+ = CrPropanoate+2 + 2H2O - log_k 14.32 - delta_h 0 kcal -Cr(OH)2+ + 2Propanoate- + 2H+ = CrPropanoate2+ + 2H2O - log_k 16.66 - delta_h 0 kcal -Cr(OH)2+ + 3Propanoate- + 2H+ = CrPropanoate3 + 2H2O - log_k 19.32 - delta_h 0 kcal + log_k 6.1 + delta_h 0 kcal +Cr(OH)2+ + Propanoate- + 2 H+ = CrPropanoate+2 + 2 H2O + log_k 14.32 + delta_h 0 kcal +Cr(OH)2+ + 2 Propanoate- + 2 H+ = CrPropanoate2+ + 2 H2O + log_k 16.66 + delta_h 0 kcal +Cr(OH)2+ + 3 Propanoate- + 2 H+ = CrPropanoate3 + 2 H2O + log_k 19.32 + delta_h 0 kcal Cr+2 + Acetate- = CrAcetate+ - log_k 1.8 - delta_h 0 kcal -Cr+2 + 2Acetate- = CrAcetate2 - log_k 2.92 - delta_h 0 kcal + log_k 1.8 + delta_h 0 kcal +Cr+2 + 2 Acetate- = CrAcetate2 + log_k 2.92 + delta_h 0 kcal Cu+2 + Edta-4 = CuEdta-2 - log_k 18.785 - delta_h 0 kcal + log_k 18.785 + delta_h 0 kcal Cu+2 + Edta-4 + H+ = CuHEdta- - log_k 11.195 - delta_h 0 kcal -Cu+2 + 2Acetate- = CuAcetate2 - log_k 3.63 - delta_h 0 kcal -Cu+2 + 3Acetate- = CuAcetate3- - log_k 3.1 - delta_h 0 kcal -Cu+2 + 4Acetate- = CuAcetate4-2 - log_k 2.9 - delta_h 0 kcal + log_k 11.195 + delta_h 0 kcal +Cu+2 + 2 Acetate- = CuAcetate2 + log_k 3.63 + delta_h 0 kcal +Cu+2 + 3 Acetate- = CuAcetate3- + log_k 3.1 + delta_h 0 kcal +Cu+2 + 4 Acetate- = CuAcetate4-2 + log_k 2.9 + delta_h 0 kcal Cu+2 + Propanoate- = CuPropanoate+ - log_k 2.22 - delta_h 0 kcal -Cu+2 + 2Propanoate- = CuPropanoate2 - log_k 2.62 - delta_h 0 kcal -Cu+2 + 3Propanoate- = CuPropanoate3- - log_k 2.3 - delta_h 0 kcal -Cu+2 + 4Propanoate- = CuPropanoate4-2 - log_k 2.7 - delta_h 0 kcal -Cu+2 + 2Methylamine = CuMethylamine2+2 - log_k 7.51 - delta_h 0 kcal + log_k 2.22 + delta_h 0 kcal +Cu+2 + 2 Propanoate- = CuPropanoate2 + log_k 2.62 + delta_h 0 kcal +Cu+2 + 3 Propanoate- = CuPropanoate3- + log_k 2.3 + delta_h 0 kcal +Cu+2 + 4 Propanoate- = CuPropanoate4-2 + log_k 2.7 + delta_h 0 kcal +Cu+2 + 2 Methylamine = CuMethylamine2+2 + log_k 7.51 + delta_h 0 kcal Cu+2 + Dimethylamine = CuDimethylamine+2 - log_k 3.21 - delta_h 0 kcal -Cu+2 + 2Dimethylamine = CuDimethylamine2+2 - log_k 5.66 - delta_h 0 kcal -Cu+2 + 3Dimethylamine = CuDimethylamine3+2 - log_k 7.26 - delta_h 0 kcal + log_k 3.21 + delta_h 0 kcal +Cu+2 + 2 Dimethylamine = CuDimethylamine2+2 + log_k 5.66 + delta_h 0 kcal +Cu+2 + 3 Dimethylamine = CuDimethylamine3+2 + log_k 7.26 + delta_h 0 kcal Cu+2 + Butanoate- = CuButanoate+ - log_k 2.14 - delta_h 0 kcal -Cu+2 + 2Butanoate- = CuButanoate2 - log_k 2.6 - delta_h 0 kcal -Cu+2 + 3Butanoate- = CuButanoate3- - log_k 2.3 - delta_h 0 kcal -Cu+2 + 4Butanoate- = CuButanoate4-2 - log_k 2.95 - delta_h 0 kcal + log_k 2.14 + delta_h 0 kcal +Cu+2 + 2 Butanoate- = CuButanoate2 + log_k 2.6 + delta_h 0 kcal +Cu+2 + 3 Butanoate- = CuButanoate3- + log_k 2.3 + delta_h 0 kcal +Cu+2 + 4 Butanoate- = CuButanoate4-2 + log_k 2.95 + delta_h 0 kcal Cu+2 + Isobutyrate- = CuIsobutyrate+ - log_k 2.17 - delta_h 0 kcal -Cu+2 + 2Isobutyrate- = CuIsobutyrate2 - log_k 2.7 - delta_h 0 kcal + log_k 2.17 + delta_h 0 kcal +Cu+2 + 2 Isobutyrate- = CuIsobutyrate2 + log_k 2.7 + delta_h 0 kcal Pb+2 + Citrate-3 = PbCitrate- - log_k 4.34 - delta_h 0 kcal -Pb+2 + 2Citrate-3 = PbCitrate2-4 - log_k 6.08 - delta_h 0 kcal -Pb+2 + 3Citrate-3 = PbCitrate3-7 - log_k 6.97 - delta_h 0 kcal + log_k 4.34 + delta_h 0 kcal +Pb+2 + 2 Citrate-3 = PbCitrate2-4 + log_k 6.08 + delta_h 0 kcal +Pb+2 + 3 Citrate-3 = PbCitrate3-7 + log_k 6.97 + delta_h 0 kcal Pb+2 + Nta-3 = PbNta- - log_k 11.6233 - delta_h 0 kcal + log_k 11.6233 + delta_h 0 kcal Pb+2 + Nta-3 + H+ = PbHNta - log_k 3.795 - delta_h 0 kcal + log_k 3.795 + delta_h 0 kcal Pb+2 + Edta-4 + H+ = PbHEdta- - log_k 9.68 - delta_h 0 kcal -Pb+2 + Edta-4 + 2H+ = PbH2Edta - log_k 6.22 - delta_h 0 kcal + log_k 9.68 + delta_h 0 kcal +Pb+2 + Edta-4 + 2 H+ = PbH2Edta + log_k 6.22 + delta_h 0 kcal Pb+2 + Acetate- = PbAcetate+ - log_k 2.87 - delta_h 0 kcal -Pb+2 + 2Acetate- = PbAcetate2 - log_k 4.08 - delta_h 0 kcal -Pb+2 + 3Acetate- = PbAcetate3- - log_k 3.59 - delta_h 0 kcal + log_k 2.87 + delta_h 0 kcal +Pb+2 + 2 Acetate- = PbAcetate2 + log_k 4.08 + delta_h 0 kcal +Pb+2 + 3 Acetate- = PbAcetate3- + log_k 3.59 + delta_h 0 kcal Pb+2 + Propanoate- = PbPropanoate+ - log_k 2.64 - delta_h 0 kcal -Pb+2 + 2Propanoate- = PbPropanoate2 - log_k 4.15 - delta_h 0 kcal -Pb+2 + 3Propanoate- = PbPropanoate3- - log_k 2.99 - delta_h 0 kcal -Pb+2 + 4Propanoate- = PbPropanoate4-2 - log_k 4.18 - delta_h 0 kcal + log_k 2.64 + delta_h 0 kcal +Pb+2 + 2 Propanoate- = PbPropanoate2 + log_k 4.15 + delta_h 0 kcal +Pb+2 + 3 Propanoate- = PbPropanoate3- + log_k 2.99 + delta_h 0 kcal +Pb+2 + 4 Propanoate- = PbPropanoate4-2 + log_k 4.18 + delta_h 0 kcal Pb+2 + Butanoate- = PbButanoate+ - log_k 2.125 - delta_h 0 kcal -Pb+2 + 2Butanoate- = PbButanoate2 - log_k 3.735 - delta_h 0 kcal -Pb+2 + 3Butanoate- = PbButanoate3- - log_k 4.125 - delta_h 0 kcal -Pb+2 + 4Butanoate- = PbButanoate4-2 - log_k 4.43 - delta_h 0 kcal + log_k 2.125 + delta_h 0 kcal +Pb+2 + 2 Butanoate- = PbButanoate2 + log_k 3.735 + delta_h 0 kcal +Pb+2 + 3 Butanoate- = PbButanoate3- + log_k 4.125 + delta_h 0 kcal +Pb+2 + 4 Butanoate- = PbButanoate4-2 + log_k 4.43 + delta_h 0 kcal Ni+2 + Citrate-3 = NiCitrate- - log_k 6.62 - delta_h 0 kcal + log_k 6.62 + delta_h 0 kcal Ni+2 + Citrate-3 + H+ = NiCitrateH - log_k 4.09 - delta_h 0 kcal -Ni+2 + Citrate-3 + 2H+ = NiCitrateH2+ - log_k 2.13 - delta_h 0 kcal + log_k 4.09 + delta_h 0 kcal +Ni+2 + Citrate-3 + 2 H+ = NiCitrateH2+ + log_k 2.13 + delta_h 0 kcal Ni+2 + Edta-4 = NiEdta-2 - log_k 20.33 - delta_h 0 kcal + log_k 20.33 + delta_h 0 kcal Ni+2 + Edta-4 + H+ = NiHEdta- - log_k 11.56 - delta_h 0 kcal + log_k 11.56 + delta_h 0 kcal Ni+2 + Propanoate- = NiPropanoate+ - log_k 0.73 - delta_h 0 kcal -Ni+2 + 2Propanoate- = NiPropanoate2 - log_k 0.8 - delta_h 0 kcal -Ni+2 + 3Propanoate- = NiPropanoate3- - log_k 0.97 - delta_h 0 kcal + log_k 0.73 + delta_h 0 kcal +Ni+2 + 2 Propanoate- = NiPropanoate2 + log_k 0.8 + delta_h 0 kcal +Ni+2 + 3 Propanoate- = NiPropanoate3- + log_k 0.97 + delta_h 0 kcal Ni+2 + Butanoate- = NiButanoate+ - log_k 0.77 - delta_h 0 kcal -Ni+2 + 2Butanoate- = NiButanoate2 - log_k 0.85 - delta_h 0 kcal -Ni+2 + 3Butanoate- = NiButanoate3- - log_k 1.34 - delta_h 0 kcal + log_k 0.77 + delta_h 0 kcal +Ni+2 + 2 Butanoate- = NiButanoate2 + log_k 0.85 + delta_h 0 kcal +Ni+2 + 3 Butanoate- = NiButanoate3- + log_k 1.34 + delta_h 0 kcal Ni+2 + Npropylamine = NiNpropylamine+2 - log_k 2.81 - delta_h 0 kcal -Ni+2 + 2Npropylamine = NiNpropylamine2+2 - log_k 5.02 - delta_h 0 kcal -Ni+2 + 3Npropylamine = NiNpropylamine3+2 - log_k 6.79 - delta_h 0 kcal -Ni+2 + 4Npropylamine = NiNpropylamine4+2 - log_k 8.31 - delta_h 0 kcal + log_k 2.81 + delta_h 0 kcal +Ni+2 + 2 Npropylamine = NiNpropylamine2+2 + log_k 5.02 + delta_h 0 kcal +Ni+2 + 3 Npropylamine = NiNpropylamine3+2 + log_k 6.79 + delta_h 0 kcal +Ni+2 + 4 Npropylamine = NiNpropylamine4+2 + log_k 8.31 + delta_h 0 kcal Ni+2 + Isopropylamine = NiIsopropylamine+2 - log_k 2.71 - delta_h 0 kcal -Ni+2 + 2Isopropylamine = NiIsopropylamine2+2 - log_k 4.86 - delta_h 0 kcal -Ni+2 + 3Isopropylamine = NiIsopropylamine3+2 - log_k 6.57 - delta_h 0 kcal -Ni+2 + 4Isopropylamine = NiIsopropylamine4+2 - log_k 7.83 - delta_h 0 kcal -Ni+2 + 5Isopropylamine = NiIsopropylamine5+2 - log_k 8.43 - delta_h 0 kcal + log_k 2.71 + delta_h 0 kcal +Ni+2 + 2 Isopropylamine = NiIsopropylamine2+2 + log_k 4.86 + delta_h 0 kcal +Ni+2 + 3 Isopropylamine = NiIsopropylamine3+2 + log_k 6.57 + delta_h 0 kcal +Ni+2 + 4 Isopropylamine = NiIsopropylamine4+2 + log_k 7.83 + delta_h 0 kcal +Ni+2 + 5 Isopropylamine = NiIsopropylamine5+2 + log_k 8.43 + delta_h 0 kcal Ag+ + Diethylamine = AgDiethylamine+ - log_k 3.965 - delta_h 0 kcal -Ag+ + 2Diethylamine = AgDiethylamine2+ - log_k 7.02 - delta_h 0 kcal + log_k 3.965 + delta_h 0 kcal +Ag+ + 2 Diethylamine = AgDiethylamine2+ + log_k 7.02 + delta_h 0 kcal Ag+ + Methylamine = AgMethylamine+ - log_k 3.18 - delta_h 0 kcal -Ag+ + 2Methylamine = AgMethylamine2+ - log_k 7.14 - delta_h 0 kcal + log_k 3.18 + delta_h 0 kcal +Ag+ + 2 Methylamine = AgMethylamine2+ + log_k 7.14 + delta_h 0 kcal Ag+ + Hexylamine = AgHexylamine+ - log_k 3.66 - delta_h 0 kcal -Ag+ + 2Hexylamine = AgHexylamine2+ - log_k 7.35 - delta_h 0 kcal + log_k 3.66 + delta_h 0 kcal +Ag+ + 2 Hexylamine = AgHexylamine2+ + log_k 7.35 + delta_h 0 kcal Ag+ + Isopropylamine = AgIsopropylamine+ - log_k 3.19 - delta_h 0 kcal -Ag+ + 2Isopropylamine = AgIsopropylamine2+ - log_k 6.85 - delta_h 0 kcal + log_k 3.19 + delta_h 0 kcal +Ag+ + 2 Isopropylamine = AgIsopropylamine2+ + log_k 6.85 + delta_h 0 kcal Ag+ + Nbutylamine = AgNbutylamine+ - log_k 3.55 - delta_h 0 kcal -Ag+ + 2Nbutylamine = AgNbutylamine2+ - log_k 7.77 - delta_h 0 kcal + log_k 3.55 + delta_h 0 kcal +Ag+ + 2 Nbutylamine = AgNbutylamine2+ + log_k 7.77 + delta_h 0 kcal Ag+ + Glutamate-2 = AgGlutamate- - log_k 3.79 - delta_h 0 kcal -Ag+ + 2Glutamate-2 = AgGlutamate2-3 - log_k 6.55 - delta_h 0 kcal + log_k 3.79 + delta_h 0 kcal +Ag+ + 2 Glutamate-2 = AgGlutamate2-3 + log_k 6.55 + delta_h 0 kcal Ag+ + Nta-3 = AgNta-2 - log_k 5.36 - delta_h 0 kcal + log_k 5.36 + delta_h 0 kcal Ag+ + Edta-4 = AgEdta-3 - log_k 7.355 - delta_h 0 kcal -Ag+ + 2Edta-4 = AgEdta2-7 - log_k 11.355 - delta_h 0 kcal + log_k 7.355 + delta_h 0 kcal +Ag+ + 2 Edta-4 = AgEdta2-7 + log_k 11.355 + delta_h 0 kcal Ag+ + Edta-4 + H+ = AgHEdta-2 - log_k 3.36 - delta_h 0 kcal + log_k 3.36 + delta_h 0 kcal Ag+ + Two_methylpyridine = AgTwo_methylpyridine+ - log_k 2.32 - delta_h 0 kcal -Ag+ + 2Two_methylpyridine = AgTwo_methylpyridine2+ - log_k 4.68 - delta_h 0 kcal + log_k 2.32 + delta_h 0 kcal +Ag+ + 2 Two_methylpyridine = AgTwo_methylpyridine2+ + log_k 4.68 + delta_h 0 kcal Ag+ + Three_methylpyridine = AgThree_methylpyridine+ - log_k 2.2 - delta_h 0 kcal -Ag+ + 2Three_methylpyridine = AgThree_methylpyridine2+ - log_k 4.46 - delta_h 0 kcal + log_k 2.2 + delta_h 0 kcal +Ag+ + 2 Three_methylpyridine = AgThree_methylpyridine2+ + log_k 4.46 + delta_h 0 kcal Ag+ + Four_methylpyridine = AgFour_methylpyridine+ - log_k 2.21 - delta_h 0 kcal -Ag+ + 2Four_methylpyridine = AgFour_methylpyridine2+ - log_k 4.67 - delta_h 0 kcal + log_k 2.21 + delta_h 0 kcal +Ag+ + 2 Four_methylpyridine = AgFour_methylpyridine2+ + log_k 4.67 + delta_h 0 kcal Ag+ + Npropylamine = AgNpropylamine+ - log_k 3.47 - delta_h 0 kcal -Ag+ + 2Npropylamine = AgNpropylamine2+ - log_k 7.51 - delta_h 0 kcal + log_k 3.47 + delta_h 0 kcal +Ag+ + 2 Npropylamine = AgNpropylamine2+ + log_k 7.51 + delta_h 0 kcal Zn+2 + Glutamate-2 = ZnGlutamate - log_k 3.79 - delta_h 0 kcal -Zn+2 + 2Glutamate-2 = ZnGlutamate2-2 - log_k 8.25 - delta_h 0 kcal -Zn+2 + 3Glutamate-2 = ZnGlutamate3-4 - log_k 9.8 - delta_h 0 kcal + log_k 3.79 + delta_h 0 kcal +Zn+2 + 2 Glutamate-2 = ZnGlutamate2-2 + log_k 8.25 + delta_h 0 kcal +Zn+2 + 3 Glutamate-2 = ZnGlutamate3-4 + log_k 9.8 + delta_h 0 kcal Zn+2 + Three_methylpyridine = ZnThree_methylpyridine+2 - log_k 1 - delta_h 0 kcal -Zn+2 + 2Three_methylpyridine = ZnThree_methylpyridine2+2 - log_k 2.1 - delta_h 0 kcal -Zn+2 + 3Three_methylpyridine = ZnThree_methylpyridine3+2 - log_k 2.6 - delta_h 0 kcal -Zn+2 + 4Three_methylpyridine = ZnThree_methylpyridine4+2 - log_k 3.7 - delta_h 0 kcal + log_k 1 + delta_h 0 kcal +Zn+2 + 2 Three_methylpyridine = ZnThree_methylpyridine2+2 + log_k 2.1 + delta_h 0 kcal +Zn+2 + 3 Three_methylpyridine = ZnThree_methylpyridine3+2 + log_k 2.6 + delta_h 0 kcal +Zn+2 + 4 Three_methylpyridine = ZnThree_methylpyridine4+2 + log_k 3.7 + delta_h 0 kcal Zn+2 + Glycine- = ZnGlycine+ - log_k 5.38 - delta_h 0 kcal -Zn+2 + 2Glycine- = ZnGlycine2 - log_k 9.81 - delta_h 0 kcal -Zn+2 + 3Glycine- = ZnGlycine3- - log_k 12.3 - delta_h 0 kcal + log_k 5.38 + delta_h 0 kcal +Zn+2 + 2 Glycine- = ZnGlycine2 + log_k 9.81 + delta_h 0 kcal +Zn+2 + 3 Glycine- = ZnGlycine3- + log_k 12.3 + delta_h 0 kcal Zn+2 + Citrate-3 = ZnCitrate- - log_k 6.1 - delta_h 0 kcal -Zn+2 + 2Citrate-3 = ZnCitrate2-4 - log_k 6.7 - delta_h 0 kcal + log_k 6.1 + delta_h 0 kcal +Zn+2 + 2 Citrate-3 = ZnCitrate2-4 + log_k 6.7 + delta_h 0 kcal Zn+2 + Citrate-3 + H+ = ZnCitrateH - log_k 3.78 - delta_h 0 kcal -Zn+2 + Citrate-3 + 2H+ = ZnCitrateH2+ - log_k 1.68 - delta_h 0 kcal + log_k 3.78 + delta_h 0 kcal +Zn+2 + Citrate-3 + 2 H+ = ZnCitrateH2+ + log_k 1.68 + delta_h 0 kcal Zn+2 + Phthalate-2 = ZnPhthalate - log_k 2.91 - delta_h 0 kcal -Zn+2 + 2Phthalate-2 = ZnPhthalate2-2 - log_k 4.2 - delta_h 0 kcal + log_k 2.91 + delta_h 0 kcal +Zn+2 + 2 Phthalate-2 = ZnPhthalate2-2 + log_k 4.2 + delta_h 0 kcal Pb+2 + Glutamate-2 = PbGlutamate - log_k 4.7 - delta_h 0 kcal -Pb+2 + 2Glutamate-2 = PbGlutamate2-2 - log_k 7.55 - delta_h 0 kcal + log_k 4.7 + delta_h 0 kcal +Pb+2 + 2 Glutamate-2 = PbGlutamate2-2 + log_k 7.55 + delta_h 0 kcal Pb+2 + Edta-4 = PbEdta-2 - log_k 17.88 - delta_h 0 kcal + log_k 17.88 + delta_h 0 kcal Pb+2 + Phthalate-2 = PbPhthalate - log_k 2.78 - delta_h 0 kcal -Pb+2 + 2Phthalate-2 = PbPhthalate2-2 - log_k 4.01 - delta_h 0 kcal + log_k 2.78 + delta_h 0 kcal +Pb+2 + 2 Phthalate-2 = PbPhthalate2-2 + log_k 4.01 + delta_h 0 kcal Pb+2 + Phthalate-2 + H+ = PbPhthalateH+ - log_k 6.56 - delta_h 0 kcal -Pb+2 + 4Acetate- = PbAcetate4-2 - log_k 3.4 - delta_h 0 kcal + log_k 6.56 + delta_h 0 kcal +Pb+2 + 4 Acetate- = PbAcetate4-2 + log_k 3.4 + delta_h 0 kcal Cu+2 + Nta-3 = CuNta- - log_k 13.1 - delta_h 0 kcal -Cu+2 + 2Nta-3 = CuNta2-4 - log_k 17.5 - delta_h 0 kcal + log_k 13.1 + delta_h 0 kcal +Cu+2 + 2 Nta-3 = CuNta2-4 + log_k 17.5 + delta_h 0 kcal Cu+2 + Methylamine = CuMethylamine+2 - log_k 4.11 - delta_h 0 kcal -Cu+2 + 3Methylamine = CuMethylamine3+2 - log_k 10.21 - delta_h 0 kcal -Cu+2 + 4Methylamine = CuMethylamine4+2 - log_k 12.08 - delta_h 0 kcal + log_k 4.11 + delta_h 0 kcal +Cu+2 + 3 Methylamine = CuMethylamine3+2 + log_k 10.21 + delta_h 0 kcal +Cu+2 + 4 Methylamine = CuMethylamine4+2 + log_k 12.08 + delta_h 0 kcal Cu+2 + Three_methylpyridine = CuThree_methylpyridine+2 - log_k 2.74 - delta_h 0 kcal -Cu+2 + 2Three_methylpyridine = CuThree_methylpyridine2+2 - log_k 4.8 - delta_h 0 kcal -Cu+2 + 3Three_methylpyridine = CuThree_methylpyridine3+2 - log_k 6.3 - delta_h 0 kcal -Cu+2 + 4Three_methylpyridine = CuThree_methylpyridine4+2 - log_k 7.2 - delta_h 0 kcal + log_k 2.74 + delta_h 0 kcal +Cu+2 + 2 Three_methylpyridine = CuThree_methylpyridine2+2 + log_k 4.8 + delta_h 0 kcal +Cu+2 + 3 Three_methylpyridine = CuThree_methylpyridine3+2 + log_k 6.3 + delta_h 0 kcal +Cu+2 + 4 Three_methylpyridine = CuThree_methylpyridine4+2 + log_k 7.2 + delta_h 0 kcal Cu+2 + Four_methylpyridine = CuFour_methylpyridine+2 - log_k 2.88 - delta_h 0 kcal -Cu+2 + 2Four_methylpyridine = CuFour_methylpyridine2+2 - log_k 5.16 - delta_h 0 kcal -Cu+2 + 3Four_methylpyridine = CuFour_methylpyridine3+2 - log_k 6.77 - delta_h 0 kcal -Cu+2 + 4Four_methylpyridine = CuFour_methylpyridine4+2 - log_k 8.08 - delta_h 0 kcal -Cu+2 + 5Four_methylpyridine = CuFour_methylpyridine5+2 - log_k 8.3 - delta_h 0 kcal + log_k 2.88 + delta_h 0 kcal +Cu+2 + 2 Four_methylpyridine = CuFour_methylpyridine2+2 + log_k 5.16 + delta_h 0 kcal +Cu+2 + 3 Four_methylpyridine = CuFour_methylpyridine3+2 + log_k 6.77 + delta_h 0 kcal +Cu+2 + 4 Four_methylpyridine = CuFour_methylpyridine4+2 + log_k 8.08 + delta_h 0 kcal +Cu+2 + 5 Four_methylpyridine = CuFour_methylpyridine5+2 + log_k 8.3 + delta_h 0 kcal # Duplicate entry #Cu+2 + Glutamate-2 = CuGlutamate # log_k 8.33 # delta_h 0 kcal Cu+2 + Citrate-3 = CuCitrate- - log_k 7.26 - delta_h 0 kcal -Cu+2 + 2Citrate-3 = CuCitrate2-4 - log_k 8.72 - delta_h 0 kcal + log_k 7.26 + delta_h 0 kcal +Cu+2 + 2 Citrate-3 = CuCitrate2-4 + log_k 8.72 + delta_h 0 kcal Cu+2 + Citrate-3 + H+ = CuHCitrate - log_k 4.27 - delta_h 0 kcal -Cu+2 + Citrate-3 + 2H+ = CuH2Citrate+ - log_k 2.2 - delta_h 0 kcal + log_k 4.27 + delta_h 0 kcal +Cu+2 + Citrate-3 + 2 H+ = CuH2Citrate+ + log_k 2.2 + delta_h 0 kcal Cu+2 + Isovalerate- = CuIsovalerate+ - log_k 2.08 - delta_h 0 kcal + log_k 2.08 + delta_h 0 kcal Cu+2 + Phthalate-2 = CuPhthalate - log_k 4.04 - delta_h 0 kcal + log_k 4.04 + delta_h 0 kcal Cu+2 + Phthalate-2 + H+ = CuPhthalateH+ - log_k 6.74 - delta_h 0 kcal - -gamma 4 0 + log_k 6.74 + delta_h 0 kcal + -gamma 4 0 Cu+2 + Valerate- = CuValerate+ - log_k 2.12 - delta_h 0 kcal -Cu+2 + 2Valerate- = CuValerate2 - log_k 3 - delta_h 0 kcal + log_k 2.12 + delta_h 0 kcal +Cu+2 + 2 Valerate- = CuValerate2 + log_k 3 + delta_h 0 kcal Ba+2 + Edta-4 = BaEdta-2 - log_k 8 - delta_h 0 kcal + log_k 8 + delta_h 0 kcal Ba+2 + Citrate-3 = BaCitrate- - log_k 4.06 - delta_h 0 kcal + log_k 4.06 + delta_h 0 kcal Ba+2 + Citrate-3 + H+ = BaCitrateH - log_k 2.7 - delta_h 0 kcal -Ba+2 + Citrate-3 + 2H+ = BaCitrateH2+ - log_k 1.27 - delta_h 0 kcal + log_k 2.7 + delta_h 0 kcal +Ba+2 + Citrate-3 + 2 H+ = BaCitrateH2+ + log_k 1.27 + delta_h 0 kcal Ba+2 + Propanoate- = BaPropanoate+ - log_k 0.34 - delta_h 0 kcal + log_k 0.34 + delta_h 0 kcal Ba+2 + Butanoate- = BaButanoate+ - log_k 0.94 - delta_h 0 kcal + log_k 0.94 + delta_h 0 kcal Cr+2 + Edta-4 = CrEdta-2 - log_k 13.61 - delta_h 0 kcal + log_k 13.61 + delta_h 0 kcal Ni+2 + Two_methylpyridine = NiTwo_methylpyridine+2 - log_k 0.4 - delta_h 0 kcal + log_k 0.4 + delta_h 0 kcal Ni+2 + Three_methylpyridine = NiThree_methylpyridine+2 - log_k 2.02 - delta_h 0 kcal -Ni+2 + 2Three_methylpyridine = NiThree_methylpyridine2+2 - log_k 3.3 - delta_h 0 kcal -Ni+2 + 3Three_methylpyridine = NiThree_methylpyridine3+2 - log_k 4.1 - delta_h 0 kcal -Ni+2 + 4Three_methylpyridine = NiThree_methylpyridine4+2 - log_k 4.6 - delta_h 0 kcal + log_k 2.02 + delta_h 0 kcal +Ni+2 + 2 Three_methylpyridine = NiThree_methylpyridine2+2 + log_k 3.3 + delta_h 0 kcal +Ni+2 + 3 Three_methylpyridine = NiThree_methylpyridine3+2 + log_k 4.1 + delta_h 0 kcal +Ni+2 + 4 Three_methylpyridine = NiThree_methylpyridine4+2 + log_k 4.6 + delta_h 0 kcal Ni+2 + Four_methylpyridine = NiFour_methylpyridine+2 - log_k 2.11 - delta_h 0 kcal -Ni+2 + 2Four_methylpyridine = NiFour_methylpyridine2+2 - log_k 3.59 - delta_h 0 kcal -Ni+2 + 3Four_methylpyridine = NiFour_methylpyridine3+2 - log_k 4.34 - delta_h 0 kcal -Ni+2 + 4Four_methylpyridine = NiFour_methylpyridine4+2 - log_k 4.7 - delta_h 0 kcal - -gamma 0 0.04 -Ni+2 + Diethylamine = NiDiethylamine1+2 - log_k 2.78 - delta_h 0 kcal -Ni+2 + 2Diethylamine = NiDiethylamine2+2 - log_k 4.97 - delta_h 0 kcal -Ni+2 + 3Diethylamine = NiDiethylamine3+2 - log_k 6.72 - delta_h 0 kcal -Ni+2 + 4Diethylamine = NiDiethylamine4+2 - log_k 7.93 - delta_h 0 kcal -Ni+2 + 5Diethylamine = NiDiethylamine5+2 - log_k 8.87 - delta_h 0 kcal -Ni+2 + 3Glycine- = NiGlycine3- - log_k 14.2 - delta_h 0 kcal + log_k 2.11 + delta_h 0 kcal +Ni+2 + 2 Four_methylpyridine = NiFour_methylpyridine2+2 + log_k 3.59 + delta_h 0 kcal +Ni+2 + 3 Four_methylpyridine = NiFour_methylpyridine3+2 + log_k 4.34 + delta_h 0 kcal +Ni+2 + 4 Four_methylpyridine = NiFour_methylpyridine4+2 + log_k 4.7 + delta_h 0 kcal + -gamma 0 0.04 +Ni+2 + Diethylamine = NiDiethylamine+2 + log_k 2.78 + delta_h 0 kcal +Ni+2 + 2 Diethylamine = NiDiethylamine2+2 + log_k 4.97 + delta_h 0 kcal +Ni+2 + 3 Diethylamine = NiDiethylamine3+2 + log_k 6.72 + delta_h 0 kcal +Ni+2 + 4 Diethylamine = NiDiethylamine4+2 + log_k 7.93 + delta_h 0 kcal +Ni+2 + 5 Diethylamine = NiDiethylamine5+2 + log_k 8.87 + delta_h 0 kcal +Ni+2 + 3 Glycine- = NiGlycine3- + log_k 14.2 + delta_h 0 kcal Cd+2 + Three_methylpyridine = CdThree_methylpyridine+2 - log_k 1.62 - delta_h 0 kcal -Cd+2 + 2Three_methylpyridine = CdThree_methylpyridine2+2 - log_k 2.8 - delta_h 0 kcal -Cd+2 + 3Three_methylpyridine = CdThree_methylpyridine3+2 - log_k 3.6 - delta_h 0 kcal -Cd+2 + 4Three_methylpyridine = CdThree_methylpyridine4+2 - log_k 4 - delta_h 0 kcal + log_k 1.62 + delta_h 0 kcal +Cd+2 + 2 Three_methylpyridine = CdThree_methylpyridine2+2 + log_k 2.8 + delta_h 0 kcal +Cd+2 + 3 Three_methylpyridine = CdThree_methylpyridine3+2 + log_k 3.6 + delta_h 0 kcal +Cd+2 + 4 Three_methylpyridine = CdThree_methylpyridine4+2 + log_k 4 + delta_h 0 kcal Cd+2 + Four_methylpyridine = CdFour_methylpyridine+2 - log_k 1.51 - delta_h 0 kcal -Cd+2 + 2Four_methylpyridine = CdFour_methylpyridine2+2 - log_k 2.5 - delta_h 0 kcal -Cd+2 + 3Four_methylpyridine = CdFour_methylpyridine3+2 - log_k 2.9 - delta_h 0 kcal -Cd+2 + 4Four_methylpyridine = CdFour_methylpyridine4+2 - log_k 4 - delta_h 0 kcal -Cd+2 + 3Glycine- = CdGlycine3- - log_k 10.7 - delta_h 0 kcal -Cd+2 + 2Phthalate-2 = CdPhthalate2-2 - log_k 2.88 - delta_h 0 kcal + log_k 1.51 + delta_h 0 kcal +Cd+2 + 2 Four_methylpyridine = CdFour_methylpyridine2+2 + log_k 2.5 + delta_h 0 kcal +Cd+2 + 3 Four_methylpyridine = CdFour_methylpyridine3+2 + log_k 2.9 + delta_h 0 kcal +Cd+2 + 4 Four_methylpyridine = CdFour_methylpyridine4+2 + log_k 4 + delta_h 0 kcal +Cd+2 + 3 Glycine- = CdGlycine3- + log_k 10.7 + delta_h 0 kcal +Cd+2 + 2 Phthalate-2 = CdPhthalate2-2 + log_k 2.88 + delta_h 0 kcal Cd+2 + Phthalate-2 + H+ = CdPhthalateH+ - log_k 5.88 - delta_h 0 kcal + log_k 5.88 + delta_h 0 kcal Cd+2 + Isovalerate- = CdIsovalerate+ - log_k 1.34 - delta_h 0 kcal -Cd+2 + 2Isovalerate- = CdIsovalerate2 - log_k 2.3 - delta_h 0 kcal -Cd+2 + 3Isovalerate- = CdIsovalerate3- - log_k 2.5 - delta_h 0 kcal -Cd+2 + 4Isovalerate- = CdIsovalerate4-2 - log_k 2 - delta_h 0 kcal -0.5Hg2+2 + Formate- = HgFormate - log_k 2.94 - delta_h 0 kcal -0.5Hg2+2 + 2Formate- = HgFormate2- - log_k 5.45 - delta_h 0 kcal -0.5Hg2+2 + Acetate- = HgAcetate - log_k 7.14 - delta_h 0 kcal -0.5Hg2+2 + 2Acetate- = HgAcetate2- - log_k 13.26 - delta_h 0 kcal -0.5Hg2+2 + Propanoate- = HgPropanoate - log_k 3.72 - delta_h 0 kcal -0.5Hg2+2 + 2Propanoate- = HgPropanoate2- - log_k 6.99 - delta_h 0 kcal -Hg(OH)2 + Propanoate- + 2H+ = HgPropanoate+ + 2H2O - log_k 9.417 - delta_h 0 kcal -Hg(OH)2 + 2Propanoate- + 2H+ = HgPropanoate2 + 2H2O - log_k 13.107 - delta_h 0 kcal + log_k 1.34 + delta_h 0 kcal +Cd+2 + 2 Isovalerate- = CdIsovalerate2 + log_k 2.3 + delta_h 0 kcal +Cd+2 + 3 Isovalerate- = CdIsovalerate3- + log_k 2.5 + delta_h 0 kcal +Cd+2 + 4 Isovalerate- = CdIsovalerate4-2 + log_k 2 + delta_h 0 kcal +0.5 Hg2+2 + Formate- = HgFormate + log_k 2.94 + delta_h 0 kcal +0.5 Hg2+2 + 2 Formate- = HgFormate2- + log_k 5.45 + delta_h 0 kcal +0.5 Hg2+2 + Acetate- = HgAcetate + log_k 7.14 + delta_h 0 kcal +0.5 Hg2+2 + 2 Acetate- = HgAcetate2- + log_k 13.26 + delta_h 0 kcal +0.5 Hg2+2 + Propanoate- = HgPropanoate + log_k 3.72 + delta_h 0 kcal +0.5 Hg2+2 + 2 Propanoate- = HgPropanoate2- + log_k 6.99 + delta_h 0 kcal +Hg(OH)2 + Propanoate- + 2 H+ = HgPropanoate+ + 2 H2O + log_k 9.417 + delta_h 0 kcal +Hg(OH)2 + 2 Propanoate- + 2 H+ = HgPropanoate2 + 2 H2O + log_k 13.107 + delta_h 0 kcal Tl+ + Citrate-3 = TlCitrate-2 - log_k 1.61 - delta_h 0 kcal + log_k 1.61 + delta_h 0 kcal Tl+ + Nta-3 = TlNta-2 - log_k 4.71 - delta_h 0 kcal + log_k 4.71 + delta_h 0 kcal Tl+ + Edta-4 = TlEdta-3 - log_k 6.41 - delta_h 0 kcal + log_k 6.41 + delta_h 0 kcal Tl+ + Acetate- = TlAcetate - log_k -0.11 - delta_h 0 kcal + log_k -0.11 + delta_h 0 kcal Zn+2 + Edta-4 = ZnEdta-2 - log_k 16.44 - delta_h 0 kcal + log_k 16.44 + delta_h 0 kcal Zn+2 + Edta-4 + H+ = ZnHEdta- - log_k 9 - delta_h 0 kcal + log_k 9 + delta_h 0 kcal Zn+2 + Acetate- = ZnAcetate+ - log_k 1.57 - delta_h 0 kcal -Zn+2 + 2Acetate- = ZnAcetate2 - log_k 1.9 - delta_h 0 kcal -Zn+2 + 3Acetate- = ZnAcetate3- - log_k 1.57 - delta_h 0 kcal -Zn+2 + 4Acetate- = ZnAcetate4-2 - log_k 1.36 - delta_h 0 kcal + log_k 1.57 + delta_h 0 kcal +Zn+2 + 2 Acetate- = ZnAcetate2 + log_k 1.9 + delta_h 0 kcal +Zn+2 + 3 Acetate- = ZnAcetate3- + log_k 1.57 + delta_h 0 kcal +Zn+2 + 4 Acetate- = ZnAcetate4-2 + log_k 1.36 + delta_h 0 kcal Zn+2 + Diethylamine = ZnDiethylamine+2 - log_k 2.51 - delta_h 0 kcal -Zn+2 + 2Diethylamine = ZnDiethylamine2+2 - log_k 4.96 - delta_h 20 kcal -Zn+2 + 3Diethylamine = ZnDiethylamine3+2 - log_k 7.49 - delta_h 0 kcal -Zn+2 + 4Diethylamine = ZnDiethylamine4+2 - log_k 9.83 - delta_h 0 kcal + log_k 2.51 + delta_h 0 kcal +Zn+2 + 2 Diethylamine = ZnDiethylamine2+2 + log_k 4.96 + delta_h 20 kcal +Zn+2 + 3 Diethylamine = ZnDiethylamine3+2 + log_k 7.49 + delta_h 0 kcal +Zn+2 + 4 Diethylamine = ZnDiethylamine4+2 + log_k 9.83 + delta_h 0 kcal Zn+2 + Propanoate- = ZnPropanoate+ - log_k 0.72 - delta_h 0 kcal -Zn+2 + 2Propanoate- = ZnPropanoate2 - log_k 1.23 - delta_h 0 kcal -Zn+2 + 3Propanoate- = ZnPropanoate3- - log_k 1.82 - delta_h 0 kcal -Zn+2 + 4Propanoate- = ZnPropanoate4-2 - log_k 1.36 - delta_h 0 kcal + log_k 0.72 + delta_h 0 kcal +Zn+2 + 2 Propanoate- = ZnPropanoate2 + log_k 1.23 + delta_h 0 kcal +Zn+2 + 3 Propanoate- = ZnPropanoate3- + log_k 1.82 + delta_h 0 kcal +Zn+2 + 4 Propanoate- = ZnPropanoate4-2 + log_k 1.36 + delta_h 0 kcal Zn+2 + Butanoate- = ZnButanoate+ - log_k 0.983 - delta_h 0 kcal -Zn+2 + 2Butanoate- = ZnButanoate2 - log_k 1.65 - delta_h 0 kcal -Zn+2 + 3Butanoate- = ZnButanoate3- - log_k 1.69 - delta_h 0 kcal -Zn+2 + 4Butanoate- = ZnButanoate4-2 - log_k 2.05 - delta_h 0 kcal + log_k 0.983 + delta_h 0 kcal +Zn+2 + 2 Butanoate- = ZnButanoate2 + log_k 1.65 + delta_h 0 kcal +Zn+2 + 3 Butanoate- = ZnButanoate3- + log_k 1.69 + delta_h 0 kcal +Zn+2 + 4 Butanoate- = ZnButanoate4-2 + log_k 2.05 + delta_h 0 kcal Zn+2 + Npropylamine = ZnNpropylamine+2 - log_k 2.42 - delta_h 0 kcal -Zn+2 + 2Npropylamine = ZnNpropylamine2+2 - log_k 4.85 - delta_h 0 kcal -Zn+2 + 3Npropylamine = ZnNpropylamine3+2 - log_k 7.38 - delta_h 0 kcal -Zn+2 + 4Npropylamine = ZnNpropylamine4+2 - log_k 9.49 - delta_h 0 kcal -Zn+2 + Isopropylamine = ZnIsopropylamine1+2 - log_k 2.37 - delta_h 0 kcal -Zn+2 + 2Isopropylamine = ZnIsopropylamine2+2 - log_k 4.67 - delta_h 0 kcal -Zn+2 + 3Isopropylamine = ZnIsopropylamine3+2 - log_k 7.14 - delta_h 0 kcal -Zn+2 + 4Isopropylamine = ZnIsopropylamine4+2 - log_k 9.44 - delta_h 0 kcal + log_k 2.42 + delta_h 0 kcal +Zn+2 + 2 Npropylamine = ZnNpropylamine2+2 + log_k 4.85 + delta_h 0 kcal +Zn+2 + 3 Npropylamine = ZnNpropylamine3+2 + log_k 7.38 + delta_h 0 kcal +Zn+2 + 4 Npropylamine = ZnNpropylamine4+2 + log_k 9.49 + delta_h 0 kcal +Zn+2 + Isopropylamine = ZnIsopropylamine+2 + log_k 2.37 + delta_h 0 kcal +Zn+2 + 2 Isopropylamine = ZnIsopropylamine2+2 + log_k 4.67 + delta_h 0 kcal +Zn+2 + 3 Isopropylamine = ZnIsopropylamine3+2 + log_k 7.14 + delta_h 0 kcal +Zn+2 + 4 Isopropylamine = ZnIsopropylamine4+2 + log_k 9.44 + delta_h 0 kcal H+ + Citrate-3 = CitrateH-2 - log_k 6.33 - delta_h 0 kcal -2H+ + Citrate-3 = CitrateH2- - log_k 11.05 - delta_h 0 kcal -3H+ + Citrate-3 = CitrateH3 - log_k 14.18 - delta_h 0 kcal + log_k 6.33 + delta_h 0 kcal +2 H+ + Citrate-3 = CitrateH2- + log_k 11.05 + delta_h 0 kcal +3 H+ + Citrate-3 = CitrateH3 + log_k 14.18 + delta_h 0 kcal Ca+2 + Citrate-3 = CaCitrate- - log_k 4.73 - delta_h 0 kcal + log_k 4.73 + delta_h 0 kcal Ca+2 + Citrate-3 + H+ = CaCitrateH - log_k 3.02 - delta_h 0 kcal -Ca+2 + Citrate-3 + 2H+ = CaCitrateH2+ - log_k 1.29 - delta_h 0 kcal + log_k 3.02 + delta_h 0 kcal +Ca+2 + Citrate-3 + 2 H+ = CaCitrateH2+ + log_k 1.29 + delta_h 0 kcal Mn+2 + Citrate-3 = MnCitrate- - log_k 5.28 - delta_h 0 kcal + log_k 5.28 + delta_h 0 kcal Mn+2 + Citrate-3 + H+ = MnCitrateH - log_k 3.02 - delta_h 0 kcal + log_k 3.02 + delta_h 0 kcal Fe+2 + Citrate-3 = FeCitrate- - log_k 5.7 - delta_h 0 kcal + log_k 5.7 + delta_h 0 kcal Fe+2 + Citrate-3 + H+ = FeCitrateH - log_k 3.5 - delta_h 0 kcal + log_k 3.5 + delta_h 0 kcal Fe+3 + Citrate-3 = FeCitrate - log_k 12.55 - delta_h 0 kcal + log_k 12.55 + delta_h 0 kcal Fe+3 + Citrate-3 + H+ = FeCitrateH+ - log_k 19.8 - delta_h 0 kcal + log_k 19.8 + delta_h 0 kcal H+ + Ethylenediamine = HEthylenediamine+ - log_k 9.96 - delta_h 0 kcal -2H+ + Ethylenediamine = H2Ethylenediamine+2 - log_k 16.85 - delta_h 0 kcal + log_k 9.96 + delta_h 0 kcal +2 H+ + Ethylenediamine = H2Ethylenediamine+2 + log_k 16.85 + delta_h 0 kcal Cu+2 + Ethylenediamine = CuEthylenediamine+2 - log_k 10.49 - delta_h 0 kcal -Cu+2 + 2Ethylenediamine = CuEthylenediamine2+2 - log_k 19.62 - delta_h 0 kcal + log_k 10.49 + delta_h 0 kcal +Cu+2 + 2 Ethylenediamine = CuEthylenediamine2+2 + log_k 19.62 + delta_h 0 kcal Cd+2 + Ethylenediamine = CdEthylenediamine+2 - log_k 5.61 - delta_h 0 kcal -Cd+2 + 2Ethylenediamine = CdEthylenediamine2+2 - log_k 10.34 - delta_h 0 kcal -Cd+2 + 3Ethylenediamine = CdEthylenediamine3+2 - log_k 12.26 - delta_h 0 kcal + log_k 5.61 + delta_h 0 kcal +Cd+2 + 2 Ethylenediamine = CdEthylenediamine2+2 + log_k 10.34 + delta_h 0 kcal +Cd+2 + 3 Ethylenediamine = CdEthylenediamine3+2 + log_k 12.26 + delta_h 0 kcal Ag+ + Ethylenediamine = AgEthylenediamine+ - log_k 4.7 - delta_h 0 kcal -Ag+ + 2Ethylenediamine = AgEthylenediamine2+ - log_k 7.7 - delta_h 0 kcal + log_k 4.7 + delta_h 0 kcal +Ag+ + 2 Ethylenediamine = AgEthylenediamine2+ + log_k 7.7 + delta_h 0 kcal Ag+ + Ethylenediamine + H+ = AgEthylenediamineH+2 - log_k 7.31 - delta_h 0 kcal -2Ag+ + Ethylenediamine = Ag2Ethylenediamine+2 - log_k 1.43 - delta_h 0 kcal -2Ag+ + 2Ethylenediamine = Ag2Ethylenediamine2+2 - log_k 12.73 - delta_h 0 kcal + log_k 7.31 + delta_h 0 kcal +2 Ag+ + Ethylenediamine = Ag2Ethylenediamine+2 + log_k 1.43 + delta_h 0 kcal +2 Ag+ + 2 Ethylenediamine = Ag2Ethylenediamine2+2 + log_k 12.73 + delta_h 0 kcal Ni+2 + Ethylenediamine = NiEthylenediamine+2 - log_k 7.24 - delta_h 0 kcal -Ni+2 + 2Ethylenediamine = NiEthylenediamine2+2 - log_k 13.36 - delta_h 0 kcal -Ni+2 + 3Ethylenediamine = NiEthylenediamine3+2 - log_k 17.54 - delta_h 0 kcal + log_k 7.24 + delta_h 0 kcal +Ni+2 + 2 Ethylenediamine = NiEthylenediamine2+2 + log_k 13.36 + delta_h 0 kcal +Ni+2 + 3 Ethylenediamine = NiEthylenediamine3+2 + log_k 17.54 + delta_h 0 kcal Pb+2 + Ethylenediamine = PbEthylenediamine+2 - log_k 7 - delta_h 0 kcal -Pb+2 + 2Ethylenediamine = PbEthylenediamine2+2 - log_k 8.45 - delta_h 0 kcal + log_k 7 + delta_h 0 kcal +Pb+2 + 2 Ethylenediamine = PbEthylenediamine2+2 + log_k 8.45 + delta_h 0 kcal Zn+2 + Ethylenediamine = ZnEthylenediamine+2 - log_k 5.65 - delta_h 0 kcal -Zn+2 + 2Ethylenediamine = ZnEthylenediamine2+2 - log_k 10.62 - delta_h 0 kcal -Zn+2 + 3Ethylenediamine = ZnEthylenediamine3+2 - log_k 13.83 - delta_h 0 kcal + log_k 5.65 + delta_h 0 kcal +Zn+2 + 2 Ethylenediamine = ZnEthylenediamine2+2 + log_k 10.62 + delta_h 0 kcal +Zn+2 + 3 Ethylenediamine = ZnEthylenediamine3+2 + log_k 13.83 + delta_h 0 kcal Mn+2 + Ethylenediamine = MnEthylenediamine+2 - log_k 2.67 - delta_h 0 kcal -Mn+2 + 2Ethylenediamine = MnEthylenediamine2+2 - log_k 4.2 - delta_h 0 kcal + log_k 2.67 + delta_h 0 kcal +Mn+2 + 2 Ethylenediamine = MnEthylenediamine2+2 + log_k 4.2 + delta_h 0 kcal Fe+2 + Ethylenediamine = FeEthylenediamine+2 - log_k 4.36 - delta_h 0 kcal -Fe+2 + 2Ethylenediamine = FeEthylenediamine2+2 - log_k 7.65 - delta_h 0 kcal -Fe+2 + 3Ethylenediamine = FeEthylenediamine3+2 - log_k 9.68 - delta_h 0 kcal + log_k 4.36 + delta_h 0 kcal +Fe+2 + 2 Ethylenediamine = FeEthylenediamine2+2 + log_k 7.65 + delta_h 0 kcal +Fe+2 + 3 Ethylenediamine = FeEthylenediamine3+2 + log_k 9.68 + delta_h 0 kcal H+ + Nta-3 = NtaH-2 - log_k 10.334 - delta_h 0 kcal -2H+ + Nta-3 = NtaH2- - log_k 13.27 - delta_h 0 kcal -3H+ + Nta-3 = NtaH3 - log_k 14.12 - delta_h 0 kcal + log_k 10.334 + delta_h 0 kcal +2 H+ + Nta-3 = NtaH2- + log_k 13.27 + delta_h 0 kcal +3 H+ + Nta-3 = NtaH3 + log_k 14.12 + delta_h 0 kcal H+ + Edta-4 = EdtaH-3 - log_k 9.96 - delta_h 0 kcal -2H+ + Edta-4 = EdtaH2-2 - log_k 16.21 - delta_h 0 kcal -3H+ + Edta-4 = EdtaH3- - log_k 18.86 - delta_h 0 kcal -4H+ + Edta-4 = EdtaH4 - log_k 20.93 - delta_h 0 kcal + log_k 9.96 + delta_h 0 kcal +2 H+ + Edta-4 = EdtaH2-2 + log_k 16.21 + delta_h 0 kcal +3 H+ + Edta-4 = EdtaH3- + log_k 18.86 + delta_h 0 kcal +4 H+ + Edta-4 = EdtaH4 + log_k 20.93 + delta_h 0 kcal H+ + Propanoate- = PropanoateH - log_k 4.874 - delta_h 0 kcal + log_k 4.874 + delta_h 0 kcal H+ + Methylamine = MethylamineH+ - log_k 10.72 - delta_h 0 kcal + log_k 10.72 + delta_h 0 kcal H+ + Hexylamine = HexylamineH+ - log_k 10.63 - delta_h 0 kcal + log_k 10.63 + delta_h 0 kcal H+ + Butanoate- = ButanoateH - log_k 4.73 - delta_h 0 kcal -4H+ + Nta-3 = NtaH4+ - log_k 16.224 - delta_h 0 kcal -5H+ + Edta-4 = EdtaH5+ - log_k 23.464 - delta_h 0 kcal + log_k 4.73 + delta_h 0 kcal +4 H+ + Nta-3 = NtaH4+ + log_k 16.224 + delta_h 0 kcal +5 H+ + Edta-4 = EdtaH5+ + log_k 23.464 + delta_h 0 kcal H+ + Diethylamine = DiethylamineH+ - log_k 10.774 - delta_h 0 kcal + log_k 10.774 + delta_h 0 kcal H+ + Trimethylamine = TrimethylamineH+ - log_k 9.8 - delta_h 0 kcal + log_k 9.8 + delta_h 0 kcal H+ + Two_methylpyridine = Two_methylpyridineH+ - log_k 5.95 - delta_h 0 kcal + log_k 5.95 + delta_h 0 kcal H+ + Three_methylpyridine = Three_methylpyridineH+ - log_k 5.7 - delta_h 0 kcal + log_k 5.7 + delta_h 0 kcal H+ + Four_methylpyridine = Four_methylpyridineH+ - log_k 6 - delta_h 0 kcal + log_k 6 + delta_h 0 kcal H+ + Npropylamine = NpropylamineH+ - log_k 10.8 - delta_h 0 kcal -3H+ + Glutamate-2 = GlutamateH3+ - log_k 16.6 - delta_h 0 kcal + log_k 10.8 + delta_h 0 kcal +3 H+ + Glutamate-2 = GlutamateH3+ + log_k 16.6 + delta_h 0 kcal H+ + Formate- = FormateH - log_k 3.745 - delta_h 0 kcal + log_k 3.745 + delta_h 0 kcal H+ + Isovalerate- = IsovalerateH - log_k 4.781 - delta_h 0 kcal + log_k 4.781 + delta_h 0 kcal H+ + Isobutyrate- = IsobutyrateH - log_k 4.849 - delta_h 0 kcal + log_k 4.849 + delta_h 0 kcal H+ + Valerate- = ValerateH - log_k 4.843 - delta_h 0 kcal + log_k 4.843 + delta_h 0 kcal Cd+2 + Edta-4 = CdEdta-2 - log_k 16.275 - delta_h 0 kcal + log_k 16.275 + delta_h 0 kcal Cd+2 + Nta-3 = CdNta- - log_k 9.4 - delta_h 0 kcal -Cd+2 + 2Nta-3 = CdNta2-4 - log_k 14.3 - delta_h 0 kcal + log_k 9.4 + delta_h 0 kcal +Cd+2 + 2 Nta-3 = CdNta2-4 + log_k 14.3 + delta_h 0 kcal Mg+2 + Ethylenediamine = MgEthylenediamine+2 - log_k 0.37 - delta_h 0 kcal + log_k 0.37 + delta_h 0 kcal Ca+2 + Ethylenediamine = CaEthylenediamine+2 - log_k 0.1 - delta_h 0 kcal + log_k 0.1 + delta_h 0 kcal Mg+2 + Citrate-3 = MgCitrate- - log_k 3.37 - delta_h 0 kcal + log_k 3.37 + delta_h 0 kcal Mg+2 + Citrate-3 + H+ = MgCitrateH - log_k 8.17 - delta_h 0 kcal -Mg+2 + Citrate-3 + 2H+ = MgCitrateH2+ - log_k 11.59 - delta_h 0 kcal + log_k 8.17 + delta_h 0 kcal +Mg+2 + Citrate-3 + 2 H+ = MgCitrateH2+ + log_k 11.59 + delta_h 0 kcal Na+ + Acetate- = NaAcetate - log_k -0.18 - delta_h 0 kcal + log_k -0.18 + delta_h 0 kcal Na+ + Phthalate-2 = NaPhthalate- - log_k 0.7 - delta_h 0 kcal + log_k 0.7 + delta_h 0 kcal Mg+2 + Acetate- = MgAcetate+ - log_k 1.27 - delta_h 0 kcal + log_k 1.27 + delta_h 0 kcal Mg+2 + Propanoate- = MgPropanoate+ - log_k 0.54 - delta_h 0 kcal + log_k 0.54 + delta_h 0 kcal Mg+2 + Butanoate- = MgButanoate+ - log_k 0.53 - delta_h 0 kcal + log_k 0.53 + delta_h 0 kcal Ca+2 + Acetate- = CaAcetate+ - log_k 1.18 - delta_h 0 kcal + log_k 1.18 + delta_h 0 kcal Ca+2 + Isophthalate-2 = CaIsophthalate - log_k 2 - delta_h 0 kcal + log_k 2 + delta_h 0 kcal Ca+2 + Propanoate- = CaPropanoate+ - log_k 0.5 - delta_h 0 kcal + log_k 0.5 + delta_h 0 kcal Ca+2 + Butanoate- = CaButanoate+ - log_k 0.51 - delta_h 0 kcal + log_k 0.51 + delta_h 0 kcal Ca+2 + Phthalate-2 = CaPhthalate - log_k 2.42 - delta_h 0 kcal + log_k 2.42 + delta_h 0 kcal Mn+2 + Acetate- = MnAcetate+ - log_k 1.4 - delta_h 0 kcal + log_k 1.4 + delta_h 0 kcal Fe+2 + Acetate- = FeAcetate+ - log_k 1.4 - delta_h 0 kcal -Hg(OH)2 + Acetate- + 2H+ = HgAcetate+ + 2H2O - log_k 9.417 - delta_h 0 kcal -Hg(OH)2 + 2Acetate- + 2H+ = HgAcetate2 + 2H2O - log_k 13.11 - delta_h 0 kcal -Hg(OH)2 + 3Acetate- + 2H+ = HgAcetate3- + 2H2O - log_k 19.38 - delta_h 0 kcal -Hg(OH)2 + 4Acetate- + 2H+ = HgAcetate4-2 + 2H2O - log_k 23.16 - delta_h 0 kcal + log_k 1.4 + delta_h 0 kcal +Hg(OH)2 + Acetate- + 2 H+ = HgAcetate+ + 2 H2O + log_k 9.417 + delta_h 0 kcal +Hg(OH)2 + 2 Acetate- + 2 H+ = HgAcetate2 + 2 H2O + log_k 13.11 + delta_h 0 kcal +Hg(OH)2 + 3 Acetate- + 2 H+ = HgAcetate3- + 2 H2O + log_k 19.38 + delta_h 0 kcal +Hg(OH)2 + 4 Acetate- + 2 H+ = HgAcetate4-2 + 2 H2O + log_k 23.16 + delta_h 0 kcal Fe+3 + Acetate- = FeAcetate+2 - log_k 3.21 - delta_h 0 kcal -Fe+3 + 2Acetate- = FeAcetate2+ - log_k 6.5 - delta_h 0 kcal -Fe+3 + 3Acetate- = FeAcetate3 - log_k 8.3 - delta_h 0 kcal + log_k 3.21 + delta_h 0 kcal +Fe+3 + 2 Acetate- = FeAcetate2+ + log_k 6.5 + delta_h 0 kcal +Fe+3 + 3 Acetate- = FeAcetate3 + log_k 8.3 + delta_h 0 kcal Ca+2 + Edta-4 = CaEdta-2 - log_k 12.4 - delta_h 0 kcal + log_k 12.4 + delta_h 0 kcal Ca+2 + Edta-4 + H+ = CaHEdta- - log_k 16 - delta_h 0 kcal + log_k 16 + delta_h 0 kcal Mg+2 + Edta-4 = MgEdta-2 - log_k 10.6 - delta_h 0 kcal + log_k 10.6 + delta_h 0 kcal Mg+2 + Edta-4 + H+ = MgHEdta- - log_k 15.1 - delta_h 0 kcal + log_k 15.1 + delta_h 0 kcal Fe+3 + Edta-4 = FeEdta- - log_k 27.7 - delta_h 0 kcal + log_k 27.7 + delta_h 0 kcal Fe+2 + Edta-4 = FeEdta-2 - log_k 16.1 - delta_h 0 kcal + log_k 16.1 + delta_h 0 kcal Fe+3 + Edta-4 + H+ = FeHEdta - log_k 29.2 - delta_h 0 kcal + log_k 29.2 + delta_h 0 kcal Fe+2 + Edta-4 + H+ = FeHEdta- - log_k 19.3 - delta_h 0 kcal + log_k 19.3 + delta_h 0 kcal Fe+3 + Edta-4 + H2O = FeOHEdta-2 + H+ - log_k 19.8 - delta_h 0 kcal -Fe+3 + Edta-4 + 2H2O = Fe(OH)2Edta-3 + 2H+ - log_k 9.7 - delta_h 0 kcal + log_k 19.8 + delta_h 0 kcal +Fe+3 + Edta-4 + 2 H2O = Fe(OH)2Edta-3 + 2 H+ + log_k 9.7 + delta_h 0 kcal Fe+2 + Edta-4 + H2O = FeOHEdta-3 + H+ - log_k 6.4 - delta_h 0 kcal -Fe+2 + Edta-4 + 2H2O = Fe(OH)2Edta-4 + 2H+ - log_k -4.3 - delta_h 0 kcal + log_k 6.4 + delta_h 0 kcal +Fe+2 + Edta-4 + 2 H2O = Fe(OH)2Edta-4 + 2 H+ + log_k -4.3 + delta_h 0 kcal Al+3 + Edta-4 = AlEdta- - log_k 18.9 - delta_h 0 kcal + log_k 18.9 + delta_h 0 kcal Al+3 + Edta-4 + H+ = AlHEdta - log_k 21.6 - delta_h 0 kcal + log_k 21.6 + delta_h 0 kcal K+ + Edta-4 = KEdta-3 - log_k 1.7 - delta_h 0 kcal + log_k 1.7 + delta_h 0 kcal Na+ + Edta-4 = NaEdta-3 - log_k 2.5 - delta_h 0 kcal + log_k 2.5 + delta_h 0 kcal PHASES Uraninite - UO2 + 4H+ = U+4 + 2H2O - log_k -4.7 - delta_h -18.63 kcal + UO2 + 4 H+ = U+4 + 2 H2O + log_k -4.7 + delta_h -18.63 kcal UO2(am) - UO2 + 4H+ = U+4 + 2H2O - log_k 0.934 - delta_h -26.23 kcal + UO2 + 4 H+ = U+4 + 2 H2O + log_k 0.934 + delta_h -26.23 kcal U4O9(C) - U4O9 + 18H+ + 2e- = 4U+4 + 9H2O - log_k -3.384 - delta_h -101.235 kcal + U4O9 + 18 H+ + 2 e- = 4 U+4 + 9 H2O + log_k -3.384 + delta_h -101.235 kcal U3O8(C) - U3O8 + 16H+ + 4e- = 3U+4 + 8H2O - log_k 21.107 + U3O8 + 16 H+ + 4 e- = 3 U+4 + 8 H2O + log_k 21.107 delta_h -116.02 kcal USiO4(C) - USiO4 + 4H+ = U+4 + H4SiO4 - log_k -7.62 + USiO4 + 4 H+ = U+4 + H4SiO4 + log_k -7.62 delta_h -14.548 kcal UF4(C) - UF4 = U+4 + 4F- - log_k -18.606 - delta_h -18.9 kcal + UF4 = U+4 + 4 F- + log_k -18.606 + delta_h -18.9 kcal UF4:2.5H2O - UF4:2.5H2O = U+4 + 4F- + 2.5H2O - log_k -27.57 - delta_h -0.588 kcal + UF4:2.5H2O = U+4 + 4 F- + 2.5 H2O + log_k -27.57 + delta_h -0.588 kcal U(HPO4)2 # Minteq equation: # U(HPO4)2 = U+4 + 2PO4-3 + 2H+ + 4H2O - U(HPO4)2 = U+4 + 2PO4-3 + 2H+ - log_k -51.584 - delta_h 3.84 kcal + U(HPO4)2 = U+4 + 2 PO4-3 + 2 H+ + log_k -51.584 + delta_h 3.84 kcal Ningyoite - CaU(PO4)2:2H2O = U+4 + Ca+2 + 2PO4-3 + 2H2O - log_k -53.906 - delta_h -2.27 kcal + CaU(PO4)2:2H2O = U+4 + Ca+2 + 2 PO4-3 + 2 H2O + log_k -53.906 + delta_h -2.27 kcal UO3(C) - UO3 + 2H+ = UO2+2 + H2O - log_k 7.719 + UO3 + 2 H+ = UO2+2 + H2O + log_k 7.719 delta_h -19.315 kcal Gummite - UO3 + 2H+ = UO2+2 + H2O - log_k 10.403 + UO3 + 2 H+ = UO2+2 + H2O + log_k 10.403 delta_h -23.015 kcal B_UO2(OH)2 - UO2(OH)2 + 2H+ = UO2+2 + 2H2O - log_k 5.544 - delta_h -13.73 kcal + UO2(OH)2 + 2 H+ = UO2+2 + 2 H2O + log_k 5.544 + delta_h -13.73 kcal Schoepite - UO2(OH)2:H2O + 2H+ = UO2+2 + 3H2O - log_k 5.404 + UO2(OH)2:H2O + 2 H+ = UO2+2 + 3 H2O + log_k 5.404 delta_h -12.045 kcal Rutherfordine UO2CO3 = UO2+2 + CO3-2 - log_k -14.439 - delta_h -1.44 kcal - -analytical 4.54 -0.03318 -2716.0 + log_k -14.439 + delta_h -1.44 kcal + -analytical 4.54 -0.03318 -2716 (UO2)3(PO4)2 - (UO2)3(PO4)2 = 3UO2+2 + 2PO4-3 - log_k -49.037 - delta_h 94.9 kcal + (UO2)3(PO4)2 = 3 UO2+2 + 2 PO4-3 + log_k -49.037 + delta_h 94.9 kcal H-Autunite - H2(UO2)2(PO4)2 = 2H+ + 2UO2+2 + 2PO4-3 - log_k -47.931 - delta_h -3.6 kcal + H2(UO2)2(PO4)2 = 2 H+ + 2 UO2+2 + 2 PO4-3 + log_k -47.931 + delta_h -3.6 kcal Na-Autunite - Na2(UO2)2(PO4)2 = 2Na+ + 2UO2+2 + 2PO4-3 - log_k -47.409 - delta_h -0.46 kcal + Na2(UO2)2(PO4)2 = 2 Na+ + 2 UO2+2 + 2 PO4-3 + log_k -47.409 + delta_h -0.46 kcal K-Autunite - K2(UO2)2(PO4)2 = 2K+ + 2UO2+2 + 2PO4-3 - log_k -48.244 - delta_h 5.86 kcal + K2(UO2)2(PO4)2 = 2 K+ + 2 UO2+2 + 2 PO4-3 + log_k -48.244 + delta_h 5.86 kcal Uramphite - (NH4)2(UO2)2(PO4)2 = 2UO2+2 + 2NH4+ + 2PO4-3 - log_k -51.749 - delta_h 9.7 kcal + (NH4)2(UO2)2(PO4)2 = 2 UO2+2 + 2 NH4+ + 2 PO4-3 + log_k -51.749 + delta_h 9.7 kcal Saleeite - Mg(UO2)2(PO4)2 = 2UO2+2 + Mg+2 + 2PO4-3 - log_k -43.646 - delta_h -20.18 kcal + Mg(UO2)2(PO4)2 = 2 UO2+2 + Mg+2 + 2 PO4-3 + log_k -43.646 + delta_h -20.18 kcal Autunite - Ca(UO2)2(PO4)2 = 2UO2+2 + Ca+2 + 2PO4-3 - log_k -43.927 - delta_h -14.34 kcal + Ca(UO2)2(PO4)2 = 2 UO2+2 + Ca+2 + 2 PO4-3 + log_k -43.927 + delta_h -14.34 kcal Sr-Autunite - Sr(UO2)2(PO4)2 = 2UO2+2 + Sr+2 + 2PO4-3 - log_k -44.457 - delta_h -13.05 kcal + Sr(UO2)2(PO4)2 = 2 UO2+2 + Sr+2 + 2 PO4-3 + log_k -44.457 + delta_h -13.05 kcal Uranocircite - Ba(UO2)2(PO4)2 = 2UO2+2 + Ba+2 + 2PO4-3 - log_k -44.631 - delta_h -10.1 kcal + Ba(UO2)2(PO4)2 = 2 UO2+2 + Ba+2 + 2 PO4-3 + log_k -44.631 + delta_h -10.1 kcal Bassetite - Fe(UO2)2(PO4)2 = 2UO2+2 + Fe+2 + 2PO4-3 - log_k -44.485 - delta_h -19.9 kcal + Fe(UO2)2(PO4)2 = 2 UO2+2 + Fe+2 + 2 PO4-3 + log_k -44.485 + delta_h -19.9 kcal Torbernite - Cu(UO2)2(PO4)2 = 2UO2+2 + Cu+2 + 2PO4-3 - log_k -45.279 - delta_h -15.9 kcal + Cu(UO2)2(PO4)2 = 2 UO2+2 + Cu+2 + 2 PO4-3 + log_k -45.279 + delta_h -15.9 kcal Przhevalskite - Pb(UO2)2(PO4)2 = 2UO2+2 + Pb+2 + 2PO4-3 - log_k -44.365 - delta_h -11 kcal + Pb(UO2)2(PO4)2 = 2 UO2+2 + Pb+2 + 2 PO4-3 + log_k -44.365 + delta_h -11 kcal Uranophane - Ca(UO2)2(SiO3OH)2 + 6H+ = 2UO2+2 + Ca+2 + 2H4SiO4 - log_k 17.49 - delta_h -0 kcal + Ca(UO2)2(SiO3OH)2 + 6 H+ = 2 UO2+2 + Ca+2 + 2 H4SiO4 + log_k 17.49 + delta_h -0 kcal UO2(NO3)2 - UO2(NO3)2 = UO2+2 + 2NO3- - log_k 12.369 - delta_h -20.14 kcal + UO2(NO3)2 = UO2+2 + 2 NO3- + log_k 12.369 + delta_h -20.14 kcal UO2(NO3)2:2H2O - UO2(NO3)2:2H2O = UO2+2 + 2NO3- + 2H2O - log_k 4.851 - delta_h -6.06 kcal + UO2(NO3)2:2H2O = UO2+2 + 2 NO3- + 2 H2O + log_k 4.851 + delta_h -6.06 kcal UO2(NO3)2:3H2O - UO2(NO3)2:3H2O = UO2+2 + 2NO3- + 3H2O - log_k 3.642 - delta_h -2.405 kcal + UO2(NO3)2:3H2O = UO2+2 + 2 NO3- + 3 H2O + log_k 3.642 + delta_h -2.405 kcal UO2(NO3)2:6H2O - UO2(NO3)2:6H2O = UO2+2 + 2NO3- + 6H2O - log_k 2.3 - delta_h 4.77 kcal + UO2(NO3)2:6H2O = UO2+2 + 2 NO3- + 6 H2O + log_k 2.3 + delta_h 4.77 kcal Al(OH)3(a) - Al(OH)3 + 3H+ = Al+3 + 3H2O - log_k 10.38 + Al(OH)3 + 3 H+ = Al+3 + 3 H2O + log_k 10.38 delta_h -27.045 kcal AlOHSO4 AlOHSO4 + H+ = Al+3 + SO4-2 + H2O - log_k -3.23 - delta_h -0 kcal + log_k -3.23 + delta_h -0 kcal Al4(OH)10SO4 - Al4(OH)10SO4 + 10H+ = 4Al+3 + SO4-2 + 10H2O - log_k 22.7 - delta_h -0 kcal + Al4(OH)10SO4 + 10 H+ = 4 Al+3 + SO4-2 + 10 H2O + log_k 22.7 + delta_h -0 kcal AlumK - KAl(SO4)2:12H2O = K+ + Al+3 + 2SO4-2 + 12H2O - log_k -5.17 - delta_h 7.22 kcal + KAl(SO4)2:12H2O = K+ + Al+3 + 2 SO4-2 + 12 H2O + log_k -5.17 + delta_h 7.22 kcal Alunite - KAl3(SO4)2(OH)6 + 6H+ = K+ + 3Al+3 + 2SO4-2 + 6H2O - log_k -1.346 - delta_h 3.918 kcal + KAl3(SO4)2(OH)6 + 6 H+ = K+ + 3 Al+3 + 2 SO4-2 + 6 H2O + log_k -1.346 + delta_h 3.918 kcal Anhydrite CaSO4 = Ca+2 + SO4-2 - log_k -4.637 - delta_h -3.769 kcal + log_k -4.637 + delta_h -3.769 kcal Aragonite CaCO3 = Ca+2 + CO3-2 - log_k -8.36 - delta_h -2.615 kcal -# Minteq a_e has more constants than phreeqc, can not use + log_k -8.36 + delta_h -2.615 kcal +# Minteq a_e has more constants than phreeqc, can not use # -analytical_expression 10.21 -0.0217 0.0 0.0 5.170E-005 # This a_e is from wateq4f - -analytical -171.9773 -0.077993 2903.293 71.595 0.0 + -analytical -171.9773 -0.077993 2903.293 71.595 0 Artinite - MgCO3:Mg(OH)2:3H2O + 2H+ = 2Mg+2 + CO3-2 + 5H2O - log_k 9.6 + MgCO3:Mg(OH)2:3H2O + 2 H+ = 2 Mg+2 + CO3-2 + 5 H2O + log_k 9.6 delta_h -28.742 kcal BaF2 - BaF2 = Ba+2 + 2F- - log_k -5.76 - delta_h 1 kcal + BaF2 = Ba+2 + 2 F- + log_k -5.76 + delta_h 1 kcal Barite BaSO4 = Ba+2 + SO4-2 - log_k -9.976 - delta_h 6.28 kcal + log_k -9.976 + delta_h 6.28 kcal Boehmite - AlOOH + 3H+ = Al+3 + 2H2O - log_k 8.578 - delta_h -28.13 kcal + AlOOH + 3 H+ = Al+3 + 2 H2O + log_k 8.578 + delta_h -28.13 kcal Brucite - Mg(OH)2 + 2H+ = Mg+2 + 2H2O - log_k 16.792 - delta_h -25.84 kcal + Mg(OH)2 + 2 H+ = Mg+2 + 2 H2O + log_k 16.792 + delta_h -25.84 kcal Calcite CaCO3 = Ca+2 + CO3-2 - log_k -8.475 - delta_h -2.585 kcal - -analytical_expression 13.543 -0.0401 -3000.0 + log_k -8.475 + delta_h -2.585 kcal + -analytical_expression 13.543 -0.0401 -3000 Celestite SrSO4 = Sr+2 + SO4-2 - log_k -6.465 - delta_h -0.47 kcal + log_k -6.465 + delta_h -0.47 kcal Chalcedony - SiO2 + 2H2O = H4SiO4 - log_k -3.523 - delta_h 4.615 kcal + SiO2 + 2 H2O = H4SiO4 + log_k -3.523 + delta_h 4.615 kcal Chrysotile - Mg3Si2O5(OH)4 + 6H+ = 3Mg+2 + 2H4SiO4 + H2O - log_k 32.188 + Mg3Si2O5(OH)4 + 6 H+ = 3 Mg+2 + 2 H4SiO4 + H2O + log_k 32.188 delta_h -52.485 kcal Clinoenstatite - MgSiO3 + H2O + 2H+ = Mg+2 + H4SiO4 - log_k 11.338 + MgSiO3 + H2O + 2 H+ = Mg+2 + H4SiO4 + log_k 11.338 delta_h -20.015 kcal Cristobalite - SiO2 + 2H2O = H4SiO4 - log_k -3.587 - delta_h 5.5 kcal + SiO2 + 2 H2O = H4SiO4 + log_k -3.587 + delta_h 5.5 kcal Diaspore - AlOOH + 3H+ = Al+3 + 2H2O - log_k 6.873 - delta_h -24.63 kcal + AlOOH + 3 H+ = Al+3 + 2 H2O + log_k 6.873 + delta_h -24.63 kcal Diopside - CaMgSi2O6 + 2H2O + 4H+ = Ca+2 + Mg+2 + 2H4SiO4 - log_k 19.886 - delta_h -32.28 kcal + CaMgSi2O6 + 2 H2O + 4 H+ = Ca+2 + Mg+2 + 2 H4SiO4 + log_k 19.886 + delta_h -32.28 kcal Dolomite - CaMg(CO3)2 = Ca+2 + Mg+2 + 2CO3-2 - log_k -17 - delta_h -8.29 kcal + CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2 + log_k -17 + delta_h -8.29 kcal Epsomite - MgSO4:7H2O = Mg+2 + SO4-2 + 7H2O - log_k -2.14 - delta_h 2.82 kcal + MgSO4:7H2O = Mg+2 + SO4-2 + 7 H2O + log_k -2.14 + delta_h 2.82 kcal Sepiolite(c) - Mg2Si3O7.5OH:3H2O + 0.5H2O + 4H+ = 2Mg+2 + 3H4SiO4 - log_k 15.913 + Mg2Si3O7.5OH:3H2O + 0.5 H2O + 4 H+ = 2 Mg+2 + 3 H4SiO4 + log_k 15.913 delta_h -27.268 kcal Ferrihydrite - Fe(OH)3 + 3H+ = Fe+3 + 3H2O - log_k 4.891 - delta_h -0 kcal + Fe(OH)3 + 3 H+ = Fe+3 + 3 H2O + log_k 4.891 + delta_h -0 kcal Fe3(OH)8 - Fe3(OH)8 + 8H+ = 2Fe+3 + Fe+2 + 8H2O - log_k 20.222 - delta_h -0 kcal + Fe3(OH)8 + 8 H+ = 2 Fe+3 + Fe+2 + 8 H2O + log_k 20.222 + delta_h -0 kcal Fe(OH)2.7Cl0.3 - Fe(OH)2.7Cl0.3 + 2.7H+ = Fe+3 + 2.7H2O + 0.3Cl- - log_k -3.04 - delta_h -0 kcal + Fe(OH)2.7Cl0.3 + 2.7 H+ = Fe+3 + 2.7 H2O + 0.3 Cl- + log_k -3.04 + delta_h -0 kcal FeS(ppt) FeS + H+ = Fe+2 + HS- - log_k -3.915 - delta_h -0 kcal + log_k -3.915 + delta_h -0 kcal Fe2(SO4)3 - Fe2(SO4)3 = 2Fe+3 + 3SO4-2 - log_k 3.58 - delta_h -59.12 kcal + Fe2(SO4)3 = 2 Fe+3 + 3 SO4-2 + log_k 3.58 + delta_h -59.12 kcal Hydroxyapatite - Ca5(PO4)3OH + H+ = 5Ca+2 + 3PO4-3 + H2O - log_k -44.199 - delta_h -0 kcal + Ca5(PO4)3OH + H+ = 5 Ca+2 + 3 PO4-3 + H2O + log_k -44.199 + delta_h -0 kcal FCO3Apatite # FCO3APATITE = 9.496Ca+2 + 0.36Na+ + 0.144Mg+2 + 4.8PO4-3 + 1.2CO3-2 + 2.48F- - Ca9.316Na0.36Mg0.144(PO4)4.8(CO3)1.2F2.48 = 9.316Ca+2 + 0.36Na+ + 0.144Mg+2 + 4.8PO4-3 + 1.2CO3-2 + 2.48F- - log_k -114.4 - delta_h 39.39 kcal + Ca9.316Na0.36Mg0.144(PO4)4.8(CO3)1.2F2.48 = 9.316 Ca+2 + 0.36 Na+ + 0.144 Mg+2 + 4.8 PO4-3 + 1.2 CO3-2 + 2.48 F- + log_k -114.4 + delta_h 39.39 kcal Fluorite - CaF2 = Ca+2 + 2F- - log_k -10.96 - delta_h 4.71 kcal -# Minteq a_e has more constants than phreeqc, can not use + CaF2 = Ca+2 + 2 F- + log_k -10.96 + delta_h 4.71 kcal +# Minteq a_e has more constants than phreeqc, can not use # -analytical_expression -109.25 -0.0024 3120.98 37.624 4.900E-007 2088.47 298.4 # This a_e is from wateq4f - -analytical 66.348 0.0 -4298.2 -25.271 0.0 + -analytical 66.348 0 -4298.2 -25.271 0 Forsterite - Mg2SiO4 + 4H+ = 2Mg+2 + H4SiO4 - log_k 28.298 - delta_h -48.51 kcal + Mg2SiO4 + 4 H+ = 2 Mg+2 + H4SiO4 + log_k 28.298 + delta_h -48.51 kcal Gibbsite(C) - Al(OH)3 + 3H+ = Al+3 + 3H2O - log_k 8.77 - delta_h -22.8 kcal + Al(OH)3 + 3 H+ = Al+3 + 3 H2O + log_k 8.77 + delta_h -22.8 kcal Al2O3 - Al2O3 + 6H+ = 2Al+3 + 3H2O - log_k 22.98 - delta_h -0 kcal + Al2O3 + 6 H+ = 2 Al+3 + 3 H2O + log_k 22.98 + delta_h -0 kcal Goethite - FeOOH + 3H+ = Fe+3 + 2H2O - log_k 0.5 - delta_h -14.48 kcal + FeOOH + 3 H+ = Fe+3 + 2 H2O + log_k 0.5 + delta_h -14.48 kcal Greenalite - Fe3Si2O5(OH)4 + 6H+ = 3Fe+2 + 2H4SiO4 + H2O - log_k 20.81 - delta_h -0 kcal + Fe3Si2O5(OH)4 + 6 H+ = 3 Fe+2 + 2 H4SiO4 + H2O + log_k 20.81 + delta_h -0 kcal Greigite - Fe3S4 + 4H+ = 2Fe+3 + Fe+2 + 4HS- - log_k -45.035 - delta_h -0 kcal + Fe3S4 + 4 H+ = 2 Fe+3 + Fe+2 + 4 HS- + log_k -45.035 + delta_h -0 kcal Gypsum - CaSO4:2H2O = Ca+2 + SO4-2 + 2H2O + CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O # # Log K gives too small a solubility < 10 mmol/L # # D. Parkhurst 7/13/09, Replacing log K with minteq version 4 log K -# log_k -4.848 +# log_k -4.848 # delta_h 0.261 kcal - log_k -4.61 - delta_h 1 kJ + log_k -4.61 + delta_h 1 kJ Halite NaCl = Na+ + Cl- - log_k 1.582 - delta_h 0.918 kcal + log_k 1.582 + delta_h 0.918 kcal Hematite - Fe2O3 + 6H+ = 2Fe+3 + 3H2O - log_k -4.008 + Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O + log_k -4.008 delta_h -30.845 kcal Huntite - CaMg3(CO3)4 = 3Mg+2 + Ca+2 + 4CO3-2 - log_k -29.968 - delta_h -25.76 kcal + CaMg3(CO3)4 = 3 Mg+2 + Ca+2 + 4 CO3-2 + log_k -29.968 + delta_h -25.76 kcal Hydromagnesite - Mg5(CO3)4(OH)2:4H2O + 2H+ = 5Mg+2 + 4CO3-2 + 6H2O - log_k -8.766 - delta_h -52.21 kcal + Mg5(CO3)4(OH)2:4H2O + 2 H+ = 5 Mg+2 + 4 CO3-2 + 6 H2O + log_k -8.766 + delta_h -52.21 kcal Jarosite-Na - NaFe3(SO4)2(OH)6 + 6H+ = Na+ + 3Fe+3 + 2SO4-2 + 6H2O - log_k -11.2 - delta_h -36.18 kcal + NaFe3(SO4)2(OH)6 + 6 H+ = Na+ + 3 Fe+3 + 2 SO4-2 + 6 H2O + log_k -11.2 + delta_h -36.18 kcal Jarosite-K - KFe3(SO4)2(OH)6 + 6H+ = K+ + 3Fe+3 + 2SO4-2 + 6H2O - log_k -14.8 - delta_h -31.28 kcal + KFe3(SO4)2(OH)6 + 6 H+ = K+ + 3 Fe+3 + 2 SO4-2 + 6 H2O + log_k -14.8 + delta_h -31.28 kcal Jarosite-H - (H3O)Fe3(SO4)2(OH)6 + 5H+ = 3Fe+3 + 2SO4-2 + 7H2O - log_k -12.1 - delta_h -55.15 kcal + (H3O)Fe3(SO4)2(OH)6 + 5 H+ = 3 Fe+3 + 2 SO4-2 + 7 H2O + log_k -12.1 + delta_h -55.15 kcal Mackinawite FeS + H+ = Fe+2 + HS- - log_k -4.648 - delta_h -0 kcal + log_k -4.648 + delta_h -0 kcal Magadiite - NaSi7O13(OH)3:3H2O + H+ + 9H2O = Na+ + 7H4SiO4 - log_k -14.3 - delta_h -0 kcal + NaSi7O13(OH)3:3H2O + H+ + 9 H2O = Na+ + 7 H4SiO4 + log_k -14.3 + delta_h -0 kcal Maghemite - Fe2O3 + 6H+ = 2Fe+3 + 3H2O - log_k 6.386 - delta_h -0 kcal + Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O + log_k 6.386 + delta_h -0 kcal Magnesite MgCO3 = Mg+2 + CO3-2 - log_k -8.029 - delta_h -6.169 kcal + log_k -8.029 + delta_h -6.169 kcal Magnetite - Fe3O4 + 8H+ = 2Fe+3 + Fe+2 + 4H2O - log_k 3.737 - delta_h -50.46 kcal + Fe3O4 + 8 H+ = 2 Fe+3 + Fe+2 + 4 H2O + log_k 3.737 + delta_h -50.46 kcal Melanterite - FeSO4:7H2O = Fe+2 + SO4-2 + 7H2O - log_k -2.47 - delta_h 2.86 kcal + FeSO4:7H2O = Fe+2 + SO4-2 + 7 H2O + log_k -2.47 + delta_h 2.86 kcal Mirabilite - Na2SO4:10H2O = 2Na+ + SO4-2 + 10H2O - log_k -1.114 - delta_h 18.987 kcal + Na2SO4:10H2O = 2 Na+ + SO4-2 + 10 H2O + log_k -1.114 + delta_h 18.987 kcal Natron - Na2CO3:10H2O = 2Na+ + CO3-2 + 10H2O - log_k -1.311 - delta_h 15.745 kcal + Na2CO3:10H2O = 2 Na+ + CO3-2 + 10 H2O + log_k -1.311 + delta_h 15.745 kcal Nesquehonite - MgCO3:3H2O = Mg+2 + CO3-2 + 3H2O - log_k -5.621 - delta_h -5.789 kcal + MgCO3:3H2O = Mg+2 + CO3-2 + 3 H2O + log_k -5.621 + delta_h -5.789 kcal Phlogopite - KMg3AlSi3O10(OH)2 + 10H+ = K+ + 3Mg+2 + Al+3 + 3H4SiO4 - log_k 66.3 - delta_h -86.36 kcal + KMg3AlSi3O10(OH)2 + 10 H+ = K+ + 3 Mg+2 + Al+3 + 3 H4SiO4 + log_k 66.3 + delta_h -86.36 kcal Pyrite - FeS2 + 2H+ + 2e- = Fe+2 + 2HS- - log_k -18.479 - delta_h 11.3 kcal + FeS2 + 2 H+ + 2 e- = Fe+2 + 2 HS- + log_k -18.479 + delta_h 11.3 kcal Quartz - SiO2 + 2H2O = H4SiO4 - log_k -4.006 - delta_h 6.22 kcal + SiO2 + 2 H2O = H4SiO4 + log_k -4.006 + delta_h 6.22 kcal Sepiolite(a) - Mg2Si3O7.5OH:3H2O + 0.5H2O + 4H+ = 2Mg+2 + 3H4SiO4 - log_k 18.78 - delta_h -0 kcal + Mg2Si3O7.5OH:3H2O + 0.5 H2O + 4 H+ = 2 Mg+2 + 3 H4SiO4 + log_k 18.78 + delta_h -0 kcal Siderite FeCO3 = Fe+2 + CO3-2 - log_k -10.55 - delta_h -5.328 kcal + log_k -10.55 + delta_h -5.328 kcal SiO2(a) - SiO2 + 2H2O = H4SiO4 - log_k -3.018 - delta_h 4.44 kcal + SiO2 + 2 H2O = H4SiO4 + log_k -3.018 + delta_h 4.44 kcal SiO2(am) - SiO2 + 2H2O = H4SiO4 - log_k -2.71 - delta_h 3.91 kcal + SiO2 + 2 H2O = H4SiO4 + log_k -2.71 + delta_h 3.91 kcal SrF2 - SrF2 = Sr+2 + 2F- - log_k -8.54 - delta_h 1.25 kcal + SrF2 = Sr+2 + 2 F- + log_k -8.54 + delta_h 1.25 kcal Strengite - FePO4:2H2O = Fe+3 + PO4-3 + 2H2O - log_k -26.4 - delta_h -2.03 kcal + FePO4:2H2O = Fe+3 + PO4-3 + 2 H2O + log_k -26.4 + delta_h -2.03 kcal Strontianite SrCO3 = Sr+2 + CO3-2 - log_k -9.25 - delta_h -0.69 kcal + log_k -9.25 + delta_h -0.69 kcal Talc - Mg3Si4O10(OH)2 + 4H2O + 6H+ = 3Mg+2 + 4H4SiO4 - log_k 23.055 + Mg3Si4O10(OH)2 + 4 H2O + 6 H+ = 3 Mg+2 + 4 H4SiO4 + log_k 23.055 delta_h -35.005 kcal Thenardite - Na2SO4 = 2Na+ + SO4-2 - log_k -0.179 - delta_h -0.572 kcal + Na2SO4 = 2 Na+ + SO4-2 + log_k -0.179 + delta_h -0.572 kcal Thermonatrite - Na2CO3:H2O = 2Na+ + CO3-2 + H2O - log_k 0.125 - delta_h -2.802 kcal + Na2CO3:H2O = 2 Na+ + CO3-2 + H2O + log_k 0.125 + delta_h -2.802 kcal Tremolite - Ca2Mg5Si8O22(OH)2 + 8H2O + 14H+ = 2Ca+2 + 5Mg+2 + 8H4SiO4 - log_k 56.546 + Ca2Mg5Si8O22(OH)2 + 8 H2O + 14 H+ = 2 Ca+2 + 5 Mg+2 + 8 H4SiO4 + log_k 56.546 delta_h -96.615 kcal Vivianite - Fe3(PO4)2:8H2O = 3Fe+2 + 2PO4-3 + 8H2O - log_k -36 - delta_h -0 kcal + Fe3(PO4)2:8H2O = 3 Fe+2 + 2 PO4-3 + 8 H2O + log_k -36 + delta_h -0 kcal Witherite BaCO3 = Ba+2 + CO3-2 - log_k -8.585 - delta_h 0.36 kcal + log_k -8.585 + delta_h 0.36 kcal Pyrolusite - MnO2 + 4H+ + e- = Mn+3 + 2H2O - log_k 15.861 - delta_h -29.18 kcal + MnO2 + 4 H+ + e- = Mn+3 + 2 H2O + log_k 15.861 + delta_h -29.18 kcal Birnessite - MnO2 + 4H+ + e- = Mn+3 + 2H2O - log_k 18.091 - delta_h -0 kcal + MnO2 + 4 H+ + e- = Mn+3 + 2 H2O + log_k 18.091 + delta_h -0 kcal Nsutite - MnO2 + 4H+ + e- = Mn+3 + 2H2O - log_k 17.504 - delta_h -0 kcal + MnO2 + 4 H+ + e- = Mn+3 + 2 H2O + log_k 17.504 + delta_h -0 kcal Bixbyite - Mn2O3 + 6H+ = 2Mn+3 + 3H2O - log_k -0.611 + Mn2O3 + 6 H+ = 2 Mn+3 + 3 H2O + log_k -0.611 delta_h -15.245 kcal Hausmannite - Mn3O4 + 8H+ + 2e- = 3Mn+2 + 4H2O - log_k 61.54 - delta_h -80.14 kcal + Mn3O4 + 8 H+ + 2 e- = 3 Mn+2 + 4 H2O + log_k 61.54 + delta_h -80.14 kcal Pyrocroite - Mn(OH)2 + 2H+ = Mn+2 + 2H2O - log_k 15.088 - delta_h -22.59 kcal + Mn(OH)2 + 2 H+ = Mn+2 + 2 H2O + log_k 15.088 + delta_h -22.59 kcal Manganite - MnOOH + 3H+ = Mn+3 + 2H2O - log_k -0.238 - delta_h -0 kcal + MnOOH + 3 H+ = Mn+3 + 2 H2O + log_k -0.238 + delta_h -0 kcal Rhodochrosite MnCO3 = Mn+2 + CO3-2 - log_k -10.41 - delta_h -2.079 kcal + log_k -10.41 + delta_h -2.079 kcal MnCl2:4H2O - MnCl2:4H2O = Mn+2 + 2Cl- + 4H2O - log_k 2.71 - delta_h 17.38 kcal + MnCl2:4H2O = Mn+2 + 2 Cl- + 4 H2O + log_k 2.71 + delta_h 17.38 kcal MnS(Green) MnS + H+ = Mn+2 + HS- - log_k 3.8 - delta_h -5.79 kcal + log_k 3.8 + delta_h -5.79 kcal MnSO4 MnSO4 = Mn+2 + SO4-2 - log_k 2.669 - delta_h -15.48 kcal + log_k 2.669 + delta_h -15.48 kcal Mn2(SO4)3 - Mn2(SO4)3 = 2Mn+3 + 3SO4-2 - log_k -5.711 - delta_h -39.06 kcal + Mn2(SO4)3 = 2 Mn+3 + 3 SO4-2 + log_k -5.711 + delta_h -39.06 kcal Mn3(PO4)2 - Mn3(PO4)2 = 3Mn+2 + 2PO4-3 - log_k -23.827 - delta_h 2.12 kcal + Mn3(PO4)2 = 3 Mn+2 + 2 PO4-3 + log_k -23.827 + delta_h 2.12 kcal CuMetal Cu = Cu+ + e- - log_k -8.76 - delta_h 17.13 kcal + log_k -8.76 + delta_h 17.13 kcal Nantokite CuCl = Cu+ + Cl- - log_k -6.76 - delta_h 9.98 kcal + log_k -6.76 + delta_h 9.98 kcal CuF CuF = Cu+ + F- - log_k 7.08 - delta_h -12.37 kcal + log_k 7.08 + delta_h -12.37 kcal Cuprite - Cu2O + 2H+ = 2Cu+ + H2O - log_k -1.55 - delta_h 6.245 kcal + Cu2O + 2 H+ = 2 Cu+ + H2O + log_k -1.55 + delta_h 6.245 kcal Chalcocite - Cu2S + H+ = 2Cu+ + HS- - log_k -34.619 - delta_h 49.35 kcal + Cu2S + H+ = 2 Cu+ + HS- + log_k -34.619 + delta_h 49.35 kcal Djurleite - Cu0.066Cu1.868S + H+ = 0.066Cu+2 + 1.868Cu+ + HS- - log_k -33.92 - delta_h 47.881 kcal + Cu0.066Cu1.868S + H+ = 0.066 Cu+2 + 1.868 Cu+ + HS- + log_k -33.92 + delta_h 47.881 kcal Anilite - Cu0.25Cu1.5S + H+ = 0.25Cu+2 + 1.5Cu+ + HS- - log_k -31.878 - delta_h 43.535 kcal + Cu0.25Cu1.5S + H+ = 0.25 Cu+2 + 1.5 Cu+ + HS- + log_k -31.878 + delta_h 43.535 kcal BlaubleiII - Cu0.6Cu0.8S + H+ = 0.6Cu+2 + 0.8Cu+ + HS- - log_k -27.279 - delta_h -0 kcal + Cu0.6Cu0.8S + H+ = 0.6 Cu+2 + 0.8 Cu+ + HS- + log_k -27.279 + delta_h -0 kcal BlaubleiI - Cu0.9Cu0.2S + H+ = 0.9Cu+2 + 0.2Cu+ + HS- - log_k -24.162 - delta_h -0 kcal + Cu0.9Cu0.2S + H+ = 0.9 Cu+2 + 0.2 Cu+ + HS- + log_k -24.162 + delta_h -0 kcal Covellite CuS + H+ = Cu+2 + HS- - log_k -23.038 - delta_h 24.01 kcal + log_k -23.038 + delta_h 24.01 kcal Cu2SO4 - Cu2SO4 = 2Cu+ + SO4-2 - log_k -1.95 - delta_h -4.56 kcal + Cu2SO4 = 2 Cu+ + SO4-2 + log_k -1.95 + delta_h -4.56 kcal CuprousFerrite - CuFeO2 + 4H+ = Cu+ + Fe+3 + 2H2O - log_k -8.92 - delta_h -3.8 kcal + CuFeO2 + 4 H+ = Cu+ + Fe+3 + 2 H2O + log_k -8.92 + delta_h -3.8 kcal Melanothallite - CuCl2 = Cu+2 + 2Cl- - log_k 3.73 - delta_h -12.32 kcal + CuCl2 = Cu+2 + 2 Cl- + log_k 3.73 + delta_h -12.32 kcal CuCO3 CuCO3 = Cu+2 + CO3-2 - log_k -9.63 - delta_h -0 kcal + log_k -9.63 + delta_h -0 kcal CuF2 - CuF2 = Cu+2 + 2F- - log_k -0.62 - delta_h -13.32 kcal + CuF2 = Cu+2 + 2 F- + log_k -0.62 + delta_h -13.32 kcal CuF2:2H2O - CuF2:2H2O = Cu+2 + 2F- + 2H2O - log_k -4.55 - delta_h -3.65 kcal + CuF2:2H2O = Cu+2 + 2 F- + 2 H2O + log_k -4.55 + delta_h -3.65 kcal Cu(OH)2 - Cu(OH)2 + 2H+ = Cu+2 + 2H2O - log_k 8.64 - delta_h -15.25 kcal + Cu(OH)2 + 2 H+ = Cu+2 + 2 H2O + log_k 8.64 + delta_h -15.25 kcal Atacamite - Cu2(OH)3Cl + 3H+ = 2Cu+2 + 3H2O + Cl- - log_k 7.34 - delta_h -18.69 kcal + Cu2(OH)3Cl + 3 H+ = 2 Cu+2 + 3 H2O + Cl- + log_k 7.34 + delta_h -18.69 kcal Cu2(OH)3NO3 - Cu2(OH)3NO3 + 3H+ = 2Cu+2 + 3H2O + NO3- - log_k 9.24 - delta_h -17.35 kcal + Cu2(OH)3NO3 + 3 H+ = 2 Cu+2 + 3 H2O + NO3- + log_k 9.24 + delta_h -17.35 kcal Antlerite - Cu3(OH)4SO4 + 4H+ = 3Cu+2 + 4H2O + SO4-2 - log_k 8.29 - delta_h -0 kcal + Cu3(OH)4SO4 + 4 H+ = 3 Cu+2 + 4 H2O + SO4-2 + log_k 8.29 + delta_h -0 kcal Brochantite - Cu4(OH)6SO4 + 6H+ = 4Cu+2 + 6H2O + SO4-2 - log_k 15.34 - delta_h -0 kcal + Cu4(OH)6SO4 + 6 H+ = 4 Cu+2 + 6 H2O + SO4-2 + log_k 15.34 + delta_h -0 kcal Langite - Cu4(OH)6SO4:H2O + 6H+ = 4Cu+2 + 7H2O + SO4-2 - log_k 16.79 - delta_h -39.61 kcal + Cu4(OH)6SO4:H2O + 6 H+ = 4 Cu+2 + 7 H2O + SO4-2 + log_k 16.79 + delta_h -39.61 kcal Tenorite - CuO + 2H+ = Cu+2 + H2O - log_k 7.62 - delta_h -15.24 kcal + CuO + 2 H+ = Cu+2 + H2O + log_k 7.62 + delta_h -15.24 kcal CuOCuSO4 - CuO:CuSO4 + 2H+ = 2Cu+2 + H2O + SO4-2 - log_k 11.53 + CuO:CuSO4 + 2 H+ = 2 Cu+2 + H2O + SO4-2 + log_k 11.53 delta_h -35.575 kcal Cu3(PO4)2 - Cu3(PO4)2 = 3Cu+2 + 2PO4-3 - log_k -36.85 - delta_h -0 kcal + Cu3(PO4)2 = 3 Cu+2 + 2 PO4-3 + log_k -36.85 + delta_h -0 kcal Cu3(PO4)2:3H2O - Cu3(PO4)2:3H2O = 3Cu+2 + 2PO4-3 + 3H2O - log_k -35.12 - delta_h -0 kcal + Cu3(PO4)2:3H2O = 3 Cu+2 + 2 PO4-3 + 3 H2O + log_k -35.12 + delta_h -0 kcal CuSO4 CuSO4 = Cu+2 + SO4-2 - log_k 3.01 - delta_h -18.14 kcal + log_k 3.01 + delta_h -18.14 kcal Chalcanthite - CuSO4:5H2O = Cu+2 + SO4-2 + 5H2O - log_k -2.64 - delta_h 1.44 kcal + CuSO4:5H2O = Cu+2 + SO4-2 + 5 H2O + log_k -2.64 + delta_h 1.44 kcal Dioptase - CuSiO3:H2O + 2H+ = Cu+2 + H4SiO4 - log_k 6.5 - delta_h -8.96 kcal + CuSiO3:H2O + 2 H+ = Cu+2 + H4SiO4 + log_k 6.5 + delta_h -8.96 kcal CupricFerrite - CuFe2O4 + 8H+ = Cu+2 + 2Fe+3 + 4H2O - log_k 5.88 - delta_h -38.69 kcal + CuFe2O4 + 8 H+ = Cu+2 + 2 Fe+3 + 4 H2O + log_k 5.88 + delta_h -38.69 kcal Chalcopyrite - CuFeS2 + 2H+ = Cu+2 + Fe+2 + 2HS- - log_k -35.27 - delta_h 35.48 kcal + CuFeS2 + 2 H+ = Cu+2 + Fe+2 + 2 HS- + log_k -35.27 + delta_h 35.48 kcal CuBr CuBr = Cu+ + Br- - log_k -8.21 - delta_h 13.08 kcal + log_k -8.21 + delta_h 13.08 kcal CuI CuI = Cu+ + I- - log_k -11.89 - delta_h 20.14 kcal + log_k -11.89 + delta_h 20.14 kcal ZnMetal - Zn = Zn+2 + 2e- - log_k 25.757 - delta_h -36.78 kcal + Zn = Zn+2 + 2 e- + log_k 25.757 + delta_h -36.78 kcal ZnCl2 - ZnCl2 = Zn+2 + 2Cl- - log_k 7.03 - delta_h -17.48 kcal + ZnCl2 = Zn+2 + 2 Cl- + log_k 7.03 + delta_h -17.48 kcal Smithsonite ZnCO3 = Zn+2 + CO3-2 - log_k -10 - delta_h -4.36 kcal + log_k -10 + delta_h -4.36 kcal ZnCO3:H2O ZnCO3:H2O = Zn+2 + CO3-2 + H2O - log_k -10.26 - delta_h -0 kcal + log_k -10.26 + delta_h -0 kcal ZnF2 - ZnF2 = Zn+2 + 2F- - log_k -1.52 - delta_h -13.08 kcal + ZnF2 = Zn+2 + 2 F- + log_k -1.52 + delta_h -13.08 kcal Zn(OH)2(A) - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 12.45 - delta_h -0 kcal + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 12.45 + delta_h -0 kcal Zn(OH)2(C) - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 12.2 - delta_h -0 kcal + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 12.2 + delta_h -0 kcal Zn(OH)2(B) - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 11.75 - delta_h -0 kcal + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 11.75 + delta_h -0 kcal Zn(OH)2(G) - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 11.71 - delta_h -0 kcal + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 11.71 + delta_h -0 kcal Zn(OH)2(E) - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 11.5 - delta_h -0 kcal + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 11.5 + delta_h -0 kcal Zn2(OH)3Cl - Zn2(OH)3Cl + 3H+ = 2Zn+2 + 3H2O + Cl- - log_k 15.2 - delta_h -0 kcal + Zn2(OH)3Cl + 3 H+ = 2 Zn+2 + 3 H2O + Cl- + log_k 15.2 + delta_h -0 kcal Zn5(OH)8Cl2 - Zn5(OH)8Cl2 + 8H+ = 5Zn+2 + 8H2O + 2Cl- - log_k 38.5 - delta_h -0 kcal + Zn5(OH)8Cl2 + 8 H+ = 5 Zn+2 + 8 H2O + 2 Cl- + log_k 38.5 + delta_h -0 kcal Zn2(OH)2SO4 - Zn2(OH)2SO4 + 2H+ = 2Zn+2 + 2H2O + SO4-2 - log_k 7.5 - delta_h -0 kcal + Zn2(OH)2SO4 + 2 H+ = 2 Zn+2 + 2 H2O + SO4-2 + log_k 7.5 + delta_h -0 kcal Zn4(OH)6SO4 - Zn4(OH)6SO4 + 6H+ = 4Zn+2 + 6H2O + SO4-2 - log_k 28.4 - delta_h -0 kcal + Zn4(OH)6SO4 + 6 H+ = 4 Zn+2 + 6 H2O + SO4-2 + log_k 28.4 + delta_h -0 kcal Zn(NO3)2:6H2O - Zn(NO3)2:6H2O = Zn+2 + 2NO3- + 6H2O - log_k 3.44 - delta_h 5.51 kcal + Zn(NO3)2:6H2O = Zn+2 + 2 NO3- + 6 H2O + log_k 3.44 + delta_h 5.51 kcal ZnO(Active) - ZnO + 2H+ = Zn+2 + H2O - log_k 11.31 - delta_h -0 kcal + ZnO + 2 H+ = Zn+2 + H2O + log_k 11.31 + delta_h -0 kcal Zincite - ZnO + 2H+ = Zn+2 + H2O - log_k 11.14 - delta_h -21.86 kcal + ZnO + 2 H+ = Zn+2 + H2O + log_k 11.14 + delta_h -21.86 kcal Zn3O(SO4)2 - Zn3O(SO4)2 + 2H+ = 3Zn+2 + 2SO4-2 + H2O - log_k 19.02 - delta_h -62 kcal + Zn3O(SO4)2 + 2 H+ = 3 Zn+2 + 2 SO4-2 + H2O + log_k 19.02 + delta_h -62 kcal Zn3(PO4)2:4H2O - Zn3(PO4)2:4H2O = 3Zn+2 + 2PO4-3 + 4H2O - log_k -32.04 - delta_h -0 kcal + Zn3(PO4)2:4H2O = 3 Zn+2 + 2 PO4-3 + 4 H2O + log_k -32.04 + delta_h -0 kcal ZnS(A) ZnS + H+ = Zn+2 + HS- - log_k -9.052 - delta_h 3.67 kcal + log_k -9.052 + delta_h 3.67 kcal Sphalerite ZnS + H+ = Zn+2 + HS- - log_k -11.618 - delta_h 8.25 kcal + log_k -11.618 + delta_h 8.25 kcal Wurtzite ZnS + H+ = Zn+2 + HS- - log_k -9.682 - delta_h 5.06 kcal + log_k -9.682 + delta_h 5.06 kcal ZnSiO3 - ZnSiO3 + 2H+ + H2O = Zn+2 + H4SiO4 - log_k 2.93 - delta_h -18.27 kcal + ZnSiO3 + 2 H+ + H2O = Zn+2 + H4SiO4 + log_k 2.93 + delta_h -18.27 kcal Willemite - Zn2SiO4 + 4H+ = 2Zn+2 + H4SiO4 - log_k 15.33 - delta_h -33.37 kcal + Zn2SiO4 + 4 H+ = 2 Zn+2 + H4SiO4 + log_k 15.33 + delta_h -33.37 kcal Zincosite ZnSO4 = Zn+2 + SO4-2 - log_k 3.01 - delta_h -19.2 kcal + log_k 3.01 + delta_h -19.2 kcal ZnSO4:H2O ZnSO4:H2O = Zn+2 + SO4-2 + H2O - log_k -0.57 - delta_h -10.64 kcal + log_k -0.57 + delta_h -10.64 kcal Bianchite - ZnSO4:6H2O = Zn+2 + SO4-2 + 6H2O - log_k -1.765 - delta_h -0.16 kcal + ZnSO4:6H2O = Zn+2 + SO4-2 + 6 H2O + log_k -1.765 + delta_h -0.16 kcal Goslarite - ZnSO4:7H2O = Zn+2 + SO4-2 + 7H2O - log_k -1.96 - delta_h 3.3 kcal + ZnSO4:7H2O = Zn+2 + SO4-2 + 7 H2O + log_k -1.96 + delta_h 3.3 kcal ZnBr2:2H2O - ZnBr2:2H2O = Zn+2 + 2Br- + 2H2O - log_k 5.21 - delta_h -7.51 kcal + ZnBr2:2H2O = Zn+2 + 2 Br- + 2 H2O + log_k 5.21 + delta_h -7.51 kcal ZnI2 - ZnI2 = Zn+2 + 2I- - log_k 7.23 - delta_h -13.44 kcal + ZnI2 = Zn+2 + 2 I- + log_k 7.23 + delta_h -13.44 kcal CdMetal - Cd = Cd+2 + 2e- - log_k 13.49 - delta_h -18 kcal + Cd = Cd+2 + 2 e- + log_k 13.49 + delta_h -18 kcal Cd(Gamma) - Cd = Cd+2 + 2e- - log_k 13.59 - delta_h -18.14 kcal + Cd = Cd+2 + 2 e- + log_k 13.59 + delta_h -18.14 kcal Otavite CdCO3 = Cd+2 + CO3-2 - log_k -13.74 - delta_h -0.58 kcal + log_k -13.74 + delta_h -0.58 kcal CdCl2 - CdCl2 = Cd+2 + 2Cl- - log_k -0.68 - delta_h -4.47 kcal + CdCl2 = Cd+2 + 2 Cl- + log_k -0.68 + delta_h -4.47 kcal CdCl2:H2O - CdCl2:H2O = Cd+2 + 2Cl- + H2O - log_k -1.71 - delta_h -1.82 kcal + CdCl2:H2O = Cd+2 + 2 Cl- + H2O + log_k -1.71 + delta_h -1.82 kcal CdCl2:2.5H2O - CdCl2:2.5H2O = Cd+2 + 2Cl- + 2.5H2O - log_k -1.94 - delta_h 1.71 kcal + CdCl2:2.5H2O = Cd+2 + 2 Cl- + 2.5 H2O + log_k -1.94 + delta_h 1.71 kcal CdF2 - CdF2 = Cd+2 + 2F- - log_k -2.98 - delta_h -9.72 kcal + CdF2 = Cd+2 + 2 F- + log_k -2.98 + delta_h -9.72 kcal Cd(OH)2(A) - Cd(OH)2 + 2H+ = Cd+2 + 2H2O - log_k 13.73 - delta_h -20.77 kcal + Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O + log_k 13.73 + delta_h -20.77 kcal Cd(OH)2(C) - Cd(OH)2 + 2H+ = Cd+2 + 2H2O - log_k 13.65 - delta_h -0 kcal + Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O + log_k 13.65 + delta_h -0 kcal CdOHCl CdOHCl + H+ = Cd+2 + H2O + Cl- - log_k 3.52 - delta_h -7.407 kcal + log_k 3.52 + delta_h -7.407 kcal Cd3(OH)4SO4 - Cd3(OH)4SO4 + 4H+ = 3Cd+2 + 4H2O + SO4-2 - log_k 22.56 - delta_h -0 kcal + Cd3(OH)4SO4 + 4 H+ = 3 Cd+2 + 4 H2O + SO4-2 + log_k 22.56 + delta_h -0 kcal Cd3(OH)2(SO4)2 - Cd3(OH)2(SO4)2 + 2H+ = 3Cd+2 + 2H2O + 2SO4-2 - log_k 6.71 - delta_h -0 kcal + Cd3(OH)2(SO4)2 + 2 H+ = 3 Cd+2 + 2 H2O + 2 SO4-2 + log_k 6.71 + delta_h -0 kcal Cd4(OH)6SO4 - Cd4(OH)6SO4 + 6H+ = 4Cd+2 + 6H2O + SO4-2 - log_k 28.4 - delta_h -0 kcal + Cd4(OH)6SO4 + 6 H+ = 4 Cd+2 + 6 H2O + SO4-2 + log_k 28.4 + delta_h -0 kcal Monteponite - CdO + 2H+ = Cd+2 + H2O - log_k 15.12 - delta_h -24.76 kcal + CdO + 2 H+ = Cd+2 + H2O + log_k 15.12 + delta_h -24.76 kcal Cd3(PO4)2 - Cd3(PO4)2 = 3Cd+2 + 2PO4-3 - log_k -32.6 - delta_h -0 kcal + Cd3(PO4)2 = 3 Cd+2 + 2 PO4-3 + log_k -32.6 + delta_h -0 kcal CdSiO3 - CdSiO3 + H2O + 2H+ = Cd+2 + H4SiO4 - log_k 9.06 - delta_h -16.63 kcal + CdSiO3 + H2O + 2 H+ = Cd+2 + H4SiO4 + log_k 9.06 + delta_h -16.63 kcal CdSO4 CdSO4 = Cd+2 + SO4-2 - log_k -0.1 - delta_h -14.74 kcal + log_k -0.1 + delta_h -14.74 kcal CdSO4:H2O CdSO4:H2O = Cd+2 + SO4-2 + H2O - log_k -1.657 - delta_h -7.52 kcal + log_k -1.657 + delta_h -7.52 kcal CdSO4:2.67H2O - CdSO4:2.67H2O = Cd+2 + SO4-2 + 2.67H2O - log_k -1.873 - delta_h -4.3 kcal + CdSO4:2.67H2O = Cd+2 + SO4-2 + 2.67 H2O + log_k -1.873 + delta_h -4.3 kcal Greenockite CdS + H+ = Cd+2 + HS- - log_k -15.93 - delta_h 16.36 kcal + log_k -15.93 + delta_h 16.36 kcal CdBr2:4H2O - CdBr2:4H2O = Cd+2 + 2Br- + 4H2O - log_k -2.42 - delta_h 7.23 kcal + CdBr2:4H2O = Cd+2 + 2 Br- + 4 H2O + log_k -2.42 + delta_h 7.23 kcal CdI2 - CdI2 = Cd+2 + 2I- - log_k -3.61 - delta_h 4.08 kcal + CdI2 = Cd+2 + 2 I- + log_k -3.61 + delta_h 4.08 kcal PbMetal - Pb = Pb+2 + 2e- - log_k 4.27 - delta_h 0.4 kcal + Pb = Pb+2 + 2 e- + log_k 4.27 + delta_h 0.4 kcal Cotunnite - PbCl2 = Pb+2 + 2Cl- - log_k -4.77 - delta_h 5.6 kcal + PbCl2 = Pb+2 + 2 Cl- + log_k -4.77 + delta_h 5.6 kcal Matlockite PbClF = Pb+2 + Cl- + F- - log_k -9.43 - delta_h 7.95 kcal + log_k -9.43 + delta_h 7.95 kcal Phosgenite - PbCl2:PbCO3 = 2Pb+2 + 2Cl- + CO3-2 - log_k -19.81 - delta_h -0 kcal + PbCl2:PbCO3 = 2 Pb+2 + 2 Cl- + CO3-2 + log_k -19.81 + delta_h -0 kcal Cerussite PbCO3 = Pb+2 + CO3-2 - log_k -13.13 - delta_h 4.86 kcal + log_k -13.13 + delta_h 4.86 kcal PbF2 - PbF2 = Pb+2 + 2F- - log_k -7.44 - delta_h -0.7 kcal + PbF2 = Pb+2 + 2 F- + log_k -7.44 + delta_h -0.7 kcal Massicot - PbO + 2H+ = Pb+2 + H2O - log_k 12.91 - delta_h -16.78 kcal + PbO + 2 H+ = Pb+2 + H2O + log_k 12.91 + delta_h -16.78 kcal Litharge - PbO + 2H+ = Pb+2 + H2O - log_k 12.72 - delta_h -16.38 kcal + PbO + 2 H+ = Pb+2 + H2O + log_k 12.72 + delta_h -16.38 kcal PbO:0.3H2O - PbO:0.33H2O + 2H+ = Pb+2 + 1.33H2O - log_k 12.98 - delta_h -0 kcal + PbO:0.33H2O + 2 H+ = Pb+2 + 1.33 H2O + log_k 12.98 + delta_h -0 kcal Pb2OCO3 - Pb2OCO3 + 2H+ = 2Pb+2 + H2O + CO3-2 - log_k -0.5 - delta_h -11.46 kcal + Pb2OCO3 + 2 H+ = 2 Pb+2 + H2O + CO3-2 + log_k -0.5 + delta_h -11.46 kcal Larnakite - PbO:PbSO4 + 2H+ = 2Pb+2 + SO4-2 + H2O - log_k -0.28 - delta_h -6.44 kcal + PbO:PbSO4 + 2 H+ = 2 Pb+2 + SO4-2 + H2O + log_k -0.28 + delta_h -6.44 kcal Pb3O2SO4 - Pb3O2SO4 + 4H+ = 3Pb+2 + SO4-2 + 2H2O - log_k 10.4 - delta_h -20.75 kcal + Pb3O2SO4 + 4 H+ = 3 Pb+2 + SO4-2 + 2 H2O + log_k 10.4 + delta_h -20.75 kcal Pb4O3SO4 - Pb4O3SO4 + 6H+ = 4Pb+2 + SO4-2 + 3H2O - log_k 22.1 - delta_h -35.07 kcal + Pb4O3SO4 + 6 H+ = 4 Pb+2 + SO4-2 + 3 H2O + log_k 22.1 + delta_h -35.07 kcal ClPyromorphite - Pb5(PO4)3Cl = 5Pb+2 + 3PO4-3 + Cl- - log_k -84.43 - delta_h -0 kcal + Pb5(PO4)3Cl = 5 Pb+2 + 3 PO4-3 + Cl- + log_k -84.43 + delta_h -0 kcal Hxypyromorphite - Pb5(PO4)3OH + H+ = 5Pb+2 + 3PO4-3 + H2O - log_k -62.79 - delta_h -0 kcal + Pb5(PO4)3OH + H+ = 5 Pb+2 + 3 PO4-3 + H2O + log_k -62.79 + delta_h -0 kcal Pb3O2CO3 - Pb3O2CO3 + 4H+ = 3Pb+2 + CO3-2 + 2H2O - log_k 11.02 - delta_h -26.43 kcal + Pb3O2CO3 + 4 H+ = 3 Pb+2 + CO3-2 + 2 H2O + log_k 11.02 + delta_h -26.43 kcal Plumbogummite - PbAl3(PO4)2(OH)5:H2O + 5H+ = Pb+2 + 3Al+3 + 2PO4-3 + 6H2O - log_k -32.79 - delta_h -0 kcal + PbAl3(PO4)2(OH)5:H2O + 5 H+ = Pb+2 + 3 Al+3 + 2 PO4-3 + 6 H2O + log_k -32.79 + delta_h -0 kcal Hinsdalite - PbAl3PO4SO4(OH)6 + 6H+ = Pb+2 + 3Al+3 + PO4-3 + SO4-2 + 6H2O - log_k -2.5 - delta_h -0 kcal + PbAl3PO4SO4(OH)6 + 6 H+ = Pb+2 + 3 Al+3 + PO4-3 + SO4-2 + 6 H2O + log_k -2.5 + delta_h -0 kcal Tsumebite - Pb2CuPO4(OH)3:3H2O + 3H+ = 2Pb+2 + Cu+2 + PO4-3 + 6H2O - log_k -9.79 - delta_h -0 kcal + Pb2CuPO4(OH)3:3H2O + 3 H+ = 2 Pb+2 + Cu+2 + PO4-3 + 6 H2O + log_k -9.79 + delta_h -0 kcal PbSiO3 - PbSiO3 + H2O + 2H+ = Pb+2 + H4SiO4 - log_k 7.32 - delta_h -9.26 kcal + PbSiO3 + H2O + 2 H+ = Pb+2 + H4SiO4 + log_k 7.32 + delta_h -9.26 kcal Pb2SiO4 - Pb2SiO4 + 4H+ = 2Pb+2 + H4SiO4 - log_k 19.76 - delta_h -26 kcal + Pb2SiO4 + 4 H+ = 2 Pb+2 + H4SiO4 + log_k 19.76 + delta_h -26 kcal Anglesite PbSO4 = Pb+2 + SO4-2 - log_k -7.79 - delta_h 2.15 kcal + log_k -7.79 + delta_h 2.15 kcal Galena PbS + H+ = Pb+2 + HS- - log_k -15.132 - delta_h 19.4 kcal + log_k -15.132 + delta_h 19.4 kcal Plattnerite - PbO2 + 4H+ + 2e- = Pb+2 + 2H2O - log_k 49.3 - delta_h -70.73 kcal + PbO2 + 4 H+ + 2 e- = Pb+2 + 2 H2O + log_k 49.3 + delta_h -70.73 kcal Pb2O3 - Pb2O3 + 6H+ + 2e- = 2Pb+2 + 3H2O - log_k 61.04 - delta_h -0 kcal + Pb2O3 + 6 H+ + 2 e- = 2 Pb+2 + 3 H2O + log_k 61.04 + delta_h -0 kcal Minium - Pb3O4 + 8H+ + 2e- = 3Pb+2 + 4H2O - log_k 73.69 + Pb3O4 + 8 H+ + 2 e- = 3 Pb+2 + 4 H2O + log_k 73.69 delta_h -102.76 kcal Pb(OH)2(C) - Pb(OH)2 + 2H+ = Pb+2 + 2H2O - log_k 8.15 - delta_h -13.99 kcal + Pb(OH)2 + 2 H+ = Pb+2 + 2 H2O + log_k 8.15 + delta_h -13.99 kcal Laurionite PbOHCl + H+ = Pb+2 + Cl- + H2O - log_k 0.623 - delta_h -0 kcal + log_k 0.623 + delta_h -0 kcal Pb2(OH)3Cl - Pb2(OH)3Cl + 3H+ = 2Pb+2 + 3H2O + Cl- - log_k 8.793 - delta_h -0 kcal + Pb2(OH)3Cl + 3 H+ = 2 Pb+2 + 3 H2O + Cl- + log_k 8.793 + delta_h -0 kcal Hydcerussite - Pb(OH)2:2PbCO3 + 2H+ = 3Pb+2 + 2CO3-2 + 2H2O - log_k -17.46 - delta_h -0 kcal + Pb(OH)2:2PbCO3 + 2 H+ = 3 Pb+2 + 2 CO3-2 + 2 H2O + log_k -17.46 + delta_h -0 kcal Pb2O(OH)2 - Pb2O(OH)2 + 4H+ = 2Pb+2 + 3H2O - log_k 26.2 - delta_h -0 kcal + Pb2O(OH)2 + 4 H+ = 2 Pb+2 + 3 H2O + log_k 26.2 + delta_h -0 kcal PbBr2 - PbBr2 = Pb+2 + 2Br- - log_k -5.18 - delta_h 8.1 kcal + PbBr2 = Pb+2 + 2 Br- + log_k -5.18 + delta_h 8.1 kcal PbBrF PbBrF = Pb+2 + Br- + F- - log_k -8.49 - delta_h -0 kcal + log_k -8.49 + delta_h -0 kcal PbI2 - PbI2 = Pb+2 + 2I- - log_k -8.07 - delta_h 15.16 kcal + PbI2 = Pb+2 + 2 I- + log_k -8.07 + delta_h 15.16 kcal Pb4(OH)6SO4 - Pb4(OH)6SO4 + 6H+ = 4Pb+2 + SO4-2 + 6H2O - log_k 21.1 - delta_h -0 kcal + Pb4(OH)6SO4 + 6 H+ = 4 Pb+2 + SO4-2 + 6 H2O + log_k 21.1 + delta_h -0 kcal NiCO3 NiCO3 = Ni+2 + CO3-2 - log_k -6.84 - delta_h -9.94 kcal + log_k -6.84 + delta_h -9.94 kcal Ni(OH)2 - Ni(OH)2 + 2H+ = Ni+2 + 2H2O - log_k 10.8 - delta_h 30.45 kcal + Ni(OH)2 + 2 H+ = Ni+2 + 2 H2O + log_k 10.8 + delta_h 30.45 kcal Ni4(OH)6SO4 - Ni4(OH)6SO4 + 6H+ = 4Ni+2 + SO4-2 + 6H2O - log_k 32 - delta_h -0 kcal + Ni4(OH)6SO4 + 6 H+ = 4 Ni+2 + SO4-2 + 6 H2O + log_k 32 + delta_h -0 kcal Bunsenite - NiO + 2H+ = Ni+2 + H2O - log_k 12.45 - delta_h -23.92 kcal + NiO + 2 H+ = Ni+2 + H2O + log_k 12.45 + delta_h -23.92 kcal Ni3(PO4)2 - Ni3(PO4)2 = 3Ni+2 + 2PO4-3 - log_k -31.3 - delta_h -0 kcal + Ni3(PO4)2 = 3 Ni+2 + 2 PO4-3 + log_k -31.3 + delta_h -0 kcal Millerite NiS + H+ = Ni+2 + HS- - log_k -8.042 - delta_h 2.5 kcal + log_k -8.042 + delta_h 2.5 kcal Retgersite - NiSO4:6H2O = Ni+2 + SO4-2 + 6H2O - log_k -2.04 - delta_h 1.1 kcal + NiSO4:6H2O = Ni+2 + SO4-2 + 6 H2O + log_k -2.04 + delta_h 1.1 kcal Morenosite - NiSO4:7H2O = Ni+2 + SO4-2 + 7H2O - log_k -2.36 - delta_h 2.94 kcal + NiSO4:7H2O = Ni+2 + SO4-2 + 7 H2O + log_k -2.36 + delta_h 2.94 kcal Ni2SiO4 - Ni2SiO4 + 4H+ = 2Ni+2 + H4SiO4 - log_k 14.54 - delta_h -33.36 kcal + Ni2SiO4 + 4 H+ = 2 Ni+2 + H4SiO4 + log_k 14.54 + delta_h -33.36 kcal AgMetal Ag = Ag+ + e- - log_k -13.51 - delta_h 25.234 kcal + log_k -13.51 + delta_h 25.234 kcal Bromyrite AgBr = Ag+ + Br- - log_k -12.27 - delta_h 20.17 kcal + log_k -12.27 + delta_h 20.17 kcal Cerargyrite AgCl = Ag+ + Cl- - log_k -9.75 - delta_h 15.652 kcal + log_k -9.75 + delta_h 15.652 kcal Ag2CO3 - Ag2CO3 = 2Ag+ + CO3-2 - log_k -11.07 - delta_h 9.53 kcal + Ag2CO3 = 2 Ag+ + CO3-2 + log_k -11.07 + delta_h 9.53 kcal AgF:4H2O - AgF:4H2O = Ag+ + F- + 4H2O - log_k 0.55 - delta_h 4.27 kcal + AgF:4H2O = Ag+ + F- + 4 H2O + log_k 0.55 + delta_h 4.27 kcal Iodyrite AgI = Ag+ + I- - log_k -16.07 - delta_h 26.82 kcal + log_k -16.07 + delta_h 26.82 kcal Ag2O - Ag2O + 2H+ = 2Ag+ + H2O - log_k 12.58 - delta_h -10.43 kcal + Ag2O + 2 H+ = 2 Ag+ + H2O + log_k 12.58 + delta_h -10.43 kcal Ag3PO4 - Ag3PO4 = 3Ag+ + PO4-3 - log_k -17.55 - delta_h -0 kcal + Ag3PO4 = 3 Ag+ + PO4-3 + log_k -17.55 + delta_h -0 kcal Acanthite - Ag2S + H+ = 2Ag+ + HS- - log_k -36.05 - delta_h 53.3 kcal + Ag2S + H+ = 2 Ag+ + HS- + log_k -36.05 + delta_h 53.3 kcal Ag2SO4 - Ag2SO4 = 2Ag+ + SO4-2 - log_k -4.92 - delta_h 4.25 kcal + Ag2SO4 = 2 Ag+ + SO4-2 + log_k -4.92 + delta_h 4.25 kcal Analcime - NaAlSi2O6:H2O + H2O + 4H+ = Na+ + Al+3 + 2H4SiO4 - log_k 6.719 - delta_h -22.84 kcal + NaAlSi2O6:H2O + H2O + 4 H+ = Na+ + Al+3 + 2 H4SiO4 + log_k 6.719 + delta_h -22.84 kcal Halloysite - Al2Si2O5(OH)4 + 6H+ = 2Al+3 + 2H4SiO4 + H2O - log_k 8.994 - delta_h -39.73 kcal + Al2Si2O5(OH)4 + 6 H+ = 2 Al+3 + 2 H4SiO4 + H2O + log_k 8.994 + delta_h -39.73 kcal Kaolinite - Al2Si2O5(OH)4 + 6H+ = 2Al+3 + 2H4SiO4 + H2O - log_k 5.726 - delta_h -35.28 kcal + Al2Si2O5(OH)4 + 6 H+ = 2 Al+3 + 2 H4SiO4 + H2O + log_k 5.726 + delta_h -35.28 kcal Leonhardite - Ca2Al4Si8O24:7H2O + H2O + 16H+ = 2Ca+2 + 8H4SiO4 + 4Al+3 - log_k 16.49 - delta_h -85.36 kcal + Ca2Al4Si8O24:7H2O + H2O + 16 H+ = 2 Ca+2 + 8 H4SiO4 + 4 Al+3 + log_k 16.49 + delta_h -85.36 kcal Albite(low) - NaAlSi3O8 + 4H+ + 4H2O = Na+ + Al+3 + 3H4SiO4 - log_k 2.592 - delta_h -17.4 kcal + NaAlSi3O8 + 4 H+ + 4 H2O = Na+ + Al+3 + 3 H4SiO4 + log_k 2.592 + delta_h -17.4 kcal Albite - NaAlSi3O8 + 4H+ + 4H2O = Na+ + Al+3 + 3H4SiO4 - log_k 3.506 - delta_h -20 kcal + NaAlSi3O8 + 4 H+ + 4 H2O = Na+ + Al+3 + 3 H4SiO4 + log_k 3.506 + delta_h -20 kcal Muscovite - KAl3Si3O10(OH)2 + 10H+ = K+ + 3Al+3 + 3H4SiO4 - log_k 12.99 - delta_h -59.34 kcal + KAl3Si3O10(OH)2 + 10 H+ = K+ + 3 Al+3 + 3 H4SiO4 + log_k 12.99 + delta_h -59.34 kcal Annite - KFe3AlSi3O10(OH)2 + 10H+ = K+ + 3Fe+2 + Al+3 + 3H4SiO4 - log_k 23.29 - delta_h -65.72 kcal + KFe3AlSi3O10(OH)2 + 10 H+ = K+ + 3 Fe+2 + Al+3 + 3 H4SiO4 + log_k 23.29 + delta_h -65.72 kcal Anorthite - CaAl2Si2O8 + 8H+ = Ca+2 + 2Al+3 + 2H4SiO4 - log_k 25.43 - delta_h -70.66 kcal + CaAl2Si2O8 + 8 H+ = Ca+2 + 2 Al+3 + 2 H4SiO4 + log_k 25.43 + delta_h -70.66 kcal Pyrophyllite - Al2Si4O10(OH)2 + 4H2O + 6H+ = 2Al+3 + 4H4SiO4 - log_k -1.598 - delta_h -0 kcal + Al2Si4O10(OH)2 + 4 H2O + 6 H+ = 2 Al+3 + 4 H4SiO4 + log_k -1.598 + delta_h -0 kcal Laumontite - CaAl2Si4O12:4H2O + 8H+ = Ca+2 + 2Al+3 + 4H4SiO4 - log_k 14.46 - delta_h -50.45 kcal + CaAl2Si4O12:4H2O + 8 H+ = Ca+2 + 2 Al+3 + 4 H4SiO4 + log_k 14.46 + delta_h -50.45 kcal Wairakite - CaAl2Si4O12:2H2O + 8H+ + 2H2O = Ca+2 + 2Al+3 + 4H4SiO4 - log_k 18.87 - delta_h -63.15 kcal + CaAl2Si4O12:2H2O + 8 H+ + 2 H2O = Ca+2 + 2 Al+3 + 4 H4SiO4 + log_k 18.87 + delta_h -63.15 kcal Malachite - Cu2(OH)2CO3 + 2H+ = 2Cu+2 + 2H2O + CO3-2 - log_k -5.18 - delta_h -15.61 kcal + Cu2(OH)2CO3 + 2 H+ = 2 Cu+2 + 2 H2O + CO3-2 + log_k -5.18 + delta_h -15.61 kcal Azurite - Cu3(OH)2(CO3)2 + 2H+ = 3Cu+2 + 2H2O + 2CO3-2 - log_k -16.92 - delta_h -23.77 kcal + Cu3(OH)2(CO3)2 + 2 H+ = 3 Cu+2 + 2 H2O + 2 CO3-2 + log_k -16.92 + delta_h -23.77 kcal Arsenolite - As4O6 + 6H2O = 4H3AsO3 - log_k -2.801 - delta_h 14.33 kcal + As4O6 + 6 H2O = 4 H3AsO3 + log_k -2.801 + delta_h 14.33 kcal Claudetite - As4O6 + 6H2O = 4H3AsO3 - log_k -3.065 - delta_h 13.29 kcal + As4O6 + 6 H2O = 4 H3AsO3 + log_k -3.065 + delta_h 13.29 kcal AsI3 - AsI3 + 3H2O = H3AsO3 + 3I- + 3H+ - log_k 4.155 - delta_h 1.875 kcal + AsI3 + 3 H2O = H3AsO3 + 3 I- + 3 H+ + log_k 4.155 + delta_h 1.875 kcal Oripment - As2S3 + 6H2O = 2H3AsO3 + 3HS- + 3H+ - log_k -60.971 - delta_h 82.89 kcal + As2S3 + 6 H2O = 2 H3AsO3 + 3 HS- + 3 H+ + log_k -60.971 + delta_h 82.89 kcal Realgar - AsS + 3H2O = H3AsO3 + HS- + 2H+ + e- - log_k -19.747 - delta_h 30.545 kcal + AsS + 3 H2O = H3AsO3 + HS- + 2 H+ + e- + log_k -19.747 + delta_h 30.545 kcal As2O5 - As2O5 + 3H2O = 2H3AsO4 - log_k 6.699 - delta_h -5.405 kcal + As2O5 + 3 H2O = 2 H3AsO4 + log_k 6.699 + delta_h -5.405 kcal Sb - Sb + 3H2O = Sb(OH)3 + 3H+ + 3e- - log_k -11.7058 - delta_h 20.045 kcal + Sb + 3 H2O = Sb(OH)3 + 3 H+ + 3 e- + log_k -11.7058 + delta_h 20.045 kcal Stibnite - Sb2S3 + 6H2O = 2Sb(OH)3 + 3HS- + 3H+ - log_k -60.156 - delta_h 69.29 kcal + Sb2S3 + 6 H2O = 2 Sb(OH)3 + 3 HS- + 3 H+ + log_k -60.156 + delta_h 69.29 kcal Sb2Se3 - Sb2Se3 + 6H2O = 2Sb(OH)3 + 3HSe- + 3H+ - log_k -67.7571 - delta_h 81.99 kcal + Sb2Se3 + 6 H2O = 2 Sb(OH)3 + 3 HSe- + 3 H+ + log_k -67.7571 + delta_h 81.99 kcal NiSb - NiSb + 3H2O = Sb(OH)3 + 5e- + 3H+ + Ni+2 - log_k -18.5225 - delta_h 22.945 kcal + NiSb + 3 H2O = Sb(OH)3 + 5 e- + 3 H+ + Ni+2 + log_k -18.5225 + delta_h 22.945 kcal ZnSb - ZnSb + 3H2O = Sb(OH)3 + 5e- + Zn+2 + 3H+ - log_k 11.0138 + ZnSb + 3 H2O = Sb(OH)3 + 5 e- + Zn+2 + 3 H+ + log_k 11.0138 delta_h -13.116 kcal AlSb - AlSb + 3H2O = Sb(OH)3 + 6e- + Al+3 + 3H+ - log_k 65.6241 - delta_h -0 kcal + AlSb + 3 H2O = Sb(OH)3 + 6 e- + Al+3 + 3 H+ + log_k 65.6241 + delta_h -0 kcal CdSb - CdSb + 3H2O = Sb(OH)3 + 5e- + 3H+ + Cd+2 - log_k -0.3943 - delta_h 5.345 kcal + CdSb + 3 H2O = Sb(OH)3 + 5 e- + 3 H+ + Cd+2 + log_k -0.3943 + delta_h 5.345 kcal Mg2Sb3 - Mg2Sb3 + 9H2O = 2Mg+2 + 3Sb(OH)3 + 9H+ + 13e- - log_k 74.6838 - delta_h -0 kcal + Mg2Sb3 + 9 H2O = 2 Mg+2 + 3 Sb(OH)3 + 9 H+ + 13 e- + log_k 74.6838 + delta_h -0 kcal Ag3Sb - Ag3Sb + 3H2O = Sb(OH)3 + 6e- + 3Ag+ + 3H+ - log_k -56.1818 - delta_h -0 kcal + Ag3Sb + 3 H2O = Sb(OH)3 + 6 e- + 3 Ag+ + 3 H+ + log_k -56.1818 + delta_h -0 kcal Na3Sb - Na3Sb + 3H2O = 3Na+ + Sb(OH)3 + 3H+ + 6e- - log_k 94.4084 - delta_h -103.245 kcal + Na3Sb + 3 H2O = 3 Na+ + Sb(OH)3 + 3 H+ + 6 e- + log_k 94.4084 + delta_h -103.245 kcal NaSb - NaSb + 3H2O = Na+ + Sb(OH)3 + 3H+ + 4e- - log_k 23.177 + NaSb + 3 H2O = Na+ + Sb(OH)3 + 3 H+ + 4 e- + log_k 23.177 delta_h -22.385 kcal Mn2Sb - Mn2Sb + 3H2O = 2Mn+2 + Sb(OH)3 + 7e- + 3H+ - log_k 61.0796 - delta_h -0 kcal + Mn2Sb + 3 H2O = 2 Mn+2 + Sb(OH)3 + 7 e- + 3 H+ + log_k 61.0796 + delta_h -0 kcal Ca3Sb2 - Ca3Sb2 + 6H2O = 3Ca+2 + 2Sb(OH)3 + 6H+ + 12e- - log_k 142.974 + Ca3Sb2 + 6 H2O = 3 Ca+2 + 2 Sb(OH)3 + 6 H+ + 12 e- + log_k 142.974 delta_h -175.13 kcal USb2 - USb2 + 8H2O = UO2+2 + 2Sb(OH)3 + 12e- + 10H+ - log_k 29.5246 - delta_h -24.68 kcal + USb2 + 8 H2O = UO2+2 + 2 Sb(OH)3 + 12 e- + 10 H+ + log_k 29.5246 + delta_h -24.68 kcal Cu2Sb - Cu2Sb + 3H2O = Sb(OH)3 + 6e- + 3H+ + Cu+ + Cu+2 - log_k -34.8827 - delta_h 55.745 kcal + Cu2Sb + 3 H2O = Sb(OH)3 + 6 e- + 3 H+ + Cu+ + Cu+2 + log_k -34.8827 + delta_h 55.745 kcal MnSb - MnSb + 3H2O = Mn+3 + Sb(OH)3 + 6e- + 3H+ - log_k -2.9099 - delta_h 5.045 kcal + MnSb + 3 H2O = Mn+3 + Sb(OH)3 + 6 e- + 3 H+ + log_k -2.9099 + delta_h 5.045 kcal Cu3Sb - Cu3Sb + 3H2O = Sb(OH)3 + 6e- + 3H+ + 3Cu+ - log_k -42.5937 - delta_h 73.645 kcal + Cu3Sb + 3 H2O = Sb(OH)3 + 6 e- + 3 H+ + 3 Cu+ + log_k -42.5937 + delta_h 73.645 kcal U3Sb4 - U3Sb4 + 12H2O = 3U+4 + 4Sb(OH)3 + 24e- + 12H+ - log_k 152.329 + U3Sb4 + 12 H2O = 3 U+4 + 4 Sb(OH)3 + 24 e- + 12 H+ + log_k 152.329 delta_h -235.72 kcal Sb2O4 - Sb2O4 + 2H2O + 2H+ + 2e- = 2Sb(OH)3 - log_k 3.4597 - delta_h -16.27 kcal + Sb2O4 + 2 H2O + 2 H+ + 2 e- = 2 Sb(OH)3 + log_k 3.4597 + delta_h -16.27 kcal Sb4O6II - Sb4O6 + 6H2O = 4Sb(OH)3 - log_k -19.6586 - delta_h 14.6 kcal + Sb4O6 + 6 H2O = 4 Sb(OH)3 + log_k -19.6586 + delta_h 14.6 kcal Sb4O6I - Sb4O6 + 6H2O = 4Sb(OH)3 - log_k -17.0346 - delta_h 8.99 kcal + Sb4O6 + 6 H2O = 4 Sb(OH)3 + log_k -17.0346 + delta_h 8.99 kcal Sb(OH)3(s) Sb(OH)3 = Sb(OH)3 - log_k -7.1099 - delta_h 7.2 kcal + log_k -7.1099 + delta_h 7.2 kcal Cu(SbO3)2 - Cu(SbO3)2 + 6H+ + 4e- = 2Sb(OH)3 + Cu+2 - log_k 45.2105 - delta_h -0 kcal + Cu(SbO3)2 + 6 H+ + 4 e- = 2 Sb(OH)3 + Cu+2 + log_k 45.2105 + delta_h -0 kcal Sb2O3 - Sb2O3 + 3H2O = 2Sb(OH)3 - log_k -12.3654 - delta_h 7.325 kcal + Sb2O3 + 3 H2O = 2 Sb(OH)3 + log_k -12.3654 + delta_h 7.325 kcal Sb2O3 - Sb2O3 + 3H2O = 2Sb(OH)3 - log_k -8.4806 - delta_h 4.545 kcal + Sb2O3 + 3 H2O = 2 Sb(OH)3 + log_k -8.4806 + delta_h 4.545 kcal Sb2O5 - Sb2O5 + 7H2O = 2Sb(OH)6- + 2H+ - log_k -12.4827 - delta_h -0 kcal + Sb2O5 + 7 H2O = 2 Sb(OH)6- + 2 H+ + log_k -12.4827 + delta_h -0 kcal SbO2 - SbO2 + 4H2O = Sb(OH)6- + e- + 2H+ - log_k -27.8241 - delta_h -0 kcal + SbO2 + 4 H2O = Sb(OH)6- + e- + 2 H+ + log_k -27.8241 + delta_h -0 kcal SbBr3 - SbBr3 + 3H2O = Sb(OH)3 + 3Br- + 3H+ - log_k 1.0562 - delta_h -5.072 kcal + SbBr3 + 3 H2O = Sb(OH)3 + 3 Br- + 3 H+ + log_k 1.0562 + delta_h -5.072 kcal SbCl3 - SbCl3 + 3H2O = Sb(OH)3 + 3Cl- + 3H+ - log_k 0.5915 - delta_h -8.414 kcal + SbCl3 + 3 H2O = Sb(OH)3 + 3 Cl- + 3 H+ + log_k 0.5915 + delta_h -8.414 kcal SbF3 - SbF3 + 3H2O = Sb(OH)3 + 3H+ + 3F- - log_k -10.2251 - delta_h -1.608 kcal + SbF3 + 3 H2O = Sb(OH)3 + 3 H+ + 3 F- + log_k -10.2251 + delta_h -1.608 kcal SbI3 - SbI3 + 3H2O = Sb(OH)3 + 3H+ + 3I- - log_k -0.538 - delta_h 3.248 kcal + SbI3 + 3 H2O = Sb(OH)3 + 3 H+ + 3 I- + log_k -0.538 + delta_h 3.248 kcal Zn(BO2)2 - Zn(BO2)2 + 2H2O + 2H+ = Zn+2 + 2H3BO3 - log_k 8.29 - delta_h -0 kcal + Zn(BO2)2 + 2 H2O + 2 H+ = Zn+2 + 2 H3BO3 + log_k 8.29 + delta_h -0 kcal Cd(BO2)2 - Cd(BO2)2 + 2H2O + 2H+ = Cd+2 + 2H3BO3 - log_k 9.84 - delta_h -0 kcal + Cd(BO2)2 + 2 H2O + 2 H+ = Cd+2 + 2 H3BO3 + log_k 9.84 + delta_h -0 kcal Pb(BO2)2 - Pb(BO2)2 + 2H2O + 2H+ = Pb+2 + 2H3BO3 - log_k 7.61 - delta_h -5.8 kcal + Pb(BO2)2 + 2 H2O + 2 H+ = Pb+2 + 2 H3BO3 + log_k 7.61 + delta_h -5.8 kcal MnHPO4(C) MnHPO4 = Mn+2 + PO4-3 + H+ - log_k -25.4 - delta_h -0 kcal + log_k -25.4 + delta_h -0 kcal PbHPO4 PbHPO4 = Pb+2 + PO4-3 + H+ - log_k -23.9 - delta_h -0 kcal + log_k -23.9 + delta_h -0 kcal Pb3(PO4)2 - Pb3(PO4)2 = 3Pb+2 + 2PO4-3 - log_k -44.5 - delta_h -0 kcal + Pb3(PO4)2 = 3 Pb+2 + 2 PO4-3 + log_k -44.5 + delta_h -0 kcal Sulfur - S + H+ + 2e- = HS- - log_k -2.11 - delta_h -4.2 kcal + S + H+ + 2 e- = HS- + log_k -2.11 + delta_h -4.2 kcal AlAsO4:2H2O - AlAsO4:2H2O + 3H+ = Al+3 + H3AsO4 + 2H2O - log_k 4.8 - delta_h -0 kcal + AlAsO4:2H2O + 3 H+ = Al+3 + H3AsO4 + 2 H2O + log_k 4.8 + delta_h -0 kcal Ca3(AsO4)2:6H2O - Ca3(AsO4)2:6H2O + 6H+ = 3Ca+2 + 2H3AsO4 + 6H2O - log_k 22.3 - delta_h -0 kcal + Ca3(AsO4)2:6H2O + 6 H+ = 3 Ca+2 + 2 H3AsO4 + 6 H2O + log_k 22.3 + delta_h -0 kcal Cu3(AsO4)2:6H2O - Cu3(AsO4)2:6H2O + 6H+ = 3Cu+2 + 2H3AsO4 + 6H2O - log_k 6.1 - delta_h -0 kcal + Cu3(AsO4)2:6H2O + 6 H+ = 3 Cu+2 + 2 H3AsO4 + 6 H2O + log_k 6.1 + delta_h -0 kcal FeAsO4:2H2O - FeAsO4:2H2O + 3H+ = Fe+3 + H3AsO4 + 2H2O - log_k 0.4 - delta_h -0 kcal + FeAsO4:2H2O + 3 H+ = Fe+3 + H3AsO4 + 2 H2O + log_k 0.4 + delta_h -0 kcal Mn3(AsO4)2:8H2O - Mn3(AsO4)2:8H2O + 6H+ = 3Mn+2 + 2H3AsO4 + 8H2O - log_k 12.5 - delta_h -0 kcal + Mn3(AsO4)2:8H2O + 6 H+ = 3 Mn+2 + 2 H3AsO4 + 8 H2O + log_k 12.5 + delta_h -0 kcal Ni3(AsO4)2:8H2O - Ni3(AsO4)2:8H2O + 6H+ = 3Ni+2 + 2H3AsO4 + 8H2O - log_k 15.7 - delta_h -0 kcal + Ni3(AsO4)2:8H2O + 6 H+ = 3 Ni+2 + 2 H3AsO4 + 8 H2O + log_k 15.7 + delta_h -0 kcal Pb3(AsO4)2 - Pb3(AsO4)2 + 6H+ = 3Pb+2 + 2H3AsO4 - log_k 5.8 - delta_h -0 kcal + Pb3(AsO4)2 + 6 H+ = 3 Pb+2 + 2 H3AsO4 + log_k 5.8 + delta_h -0 kcal Zn3(AsO4)2:2.5H2O - Zn3(AsO4)2:2.5H2O + 6H+ = 3Zn+2 + 2H3AsO4 + 2.5H2O - log_k 13.65 - delta_h -0 kcal + Zn3(AsO4)2:2.5H2O + 6 H+ = 3 Zn+2 + 2 H3AsO4 + 2.5 H2O + log_k 13.65 + delta_h -0 kcal Ba3(AsO4)2 - Ba3(AsO4)2 + 6H+ = 3Ba+2 + 2H3AsO4 - log_k -8.91 - delta_h 2.64 kcal + Ba3(AsO4)2 + 6 H+ = 3 Ba+2 + 2 H3AsO4 + log_k -8.91 + delta_h 2.64 kcal VMetal - V = V+3 + 3e- - log_k 42.35 - delta_h -62.9 kcal + V = V+3 + 3 e- + log_k 42.35 + delta_h -62.9 kcal VO - VO + 2H+ = V+3 + H2O + e- - log_k 13.08 - delta_h -28.02 kcal + VO + 2 H+ = V+3 + H2O + e- + log_k 13.08 + delta_h -28.02 kcal VCl2 - VCl2 = V+3 + 2Cl- + e- - log_k 17.97 - delta_h -35.8 kcal + VCl2 = V+3 + 2 Cl- + e- + log_k 17.97 + delta_h -35.8 kcal V2O3 - VO1.5 + 3H+ = V+3 + 1.5H2O - log_k 4.9 - delta_h -19.72 kcal + VO1.5 + 3 H+ = V+3 + 1.5 H2O + log_k 4.9 + delta_h -19.72 kcal V(OH)3 - V(OH)3 + 3H+ = V+3 + 3H2O - log_k 7.65 - delta_h -0 kcal + V(OH)3 + 3 H+ = V+3 + 3 H2O + log_k 7.65 + delta_h -0 kcal VCl3 - VCl3 = V+3 + 3Cl- - log_k 21.73 - delta_h -43.96 kcal + VCl3 = V+3 + 3 Cl- + log_k 21.73 + delta_h -43.96 kcal VOCl - VOCl + 2H+ = V+3 + Cl- + H2O - log_k 9.41 - delta_h -26.17 kcal + VOCl + 2 H+ = V+3 + Cl- + H2O + log_k 9.41 + delta_h -26.17 kcal V2O4 - VO2 + 2H+ = VO+2 + H2O - log_k 4.27 - delta_h -14.07 kcal + VO2 + 2 H+ = VO+2 + H2O + log_k 4.27 + delta_h -14.07 kcal VO(OH)2 - VO(OH)2 + 2H+ = VO+2 + 2H2O - log_k 5.85 - delta_h -0 kcal + VO(OH)2 + 2 H+ = VO+2 + 2 H2O + log_k 5.85 + delta_h -0 kcal VF4 - VF4 + H2O = VO+2 + 4F- + 2H+ - log_k 14.93 - delta_h -47.59 kcal + VF4 + H2O = VO+2 + 4 F- + 2 H+ + log_k 14.93 + delta_h -47.59 kcal VOSO4(C) VOSO4 = VO+2 + SO4-2 - log_k 3.57 - delta_h -20.72 kcal + log_k 3.57 + delta_h -20.72 kcal # equation does not balance #(VO)3(PO4)2 # (VO)3(PO4)2 = VO+2 + 0.667PO4-3 # log_k -8.37 # delta_h -0 kcal VOCl2 - VOCl2 = VO+2 + 2Cl- - log_k 12.79 - delta_h -28.2 kcal + VOCl2 = VO+2 + 2 Cl- + log_k 12.79 + delta_h -28.2 kcal V2O5 - VO2.5 + H+ = VO2+ + 0.5H2O - log_k -0.72 - delta_h -4.16 kcal + VO2.5 + H+ = VO2+ + 0.5 H2O + log_k -0.72 + delta_h -4.16 kcal Tyuyamunite - Ca0.5UO2VO4 + 4H+ = 0.5Ca+2 + UO2+2 + VO2+ + 2H2O - log_k 2.04 - delta_h -18.3 kcal + Ca0.5UO2VO4 + 4 H+ = 0.5 Ca+2 + UO2+2 + VO2+ + 2 H2O + log_k 2.04 + delta_h -18.3 kcal Ca_Vanadate - Ca0.5VO3 + 2H+ = 0.5Ca+2 + VO2+ + H2O - log_k 2.83 - delta_h -10.13 kcal + Ca0.5VO3 + 2 H+ = 0.5 Ca+2 + VO2+ + H2O + log_k 2.83 + delta_h -10.13 kcal Ca3(VO4)2 - Ca1.5VO4 + 4H+ = 1.5Ca+2 + VO2+ + 2H2O - log_k 19.48 - delta_h -35.07 kcal + Ca1.5VO4 + 4 H+ = 1.5 Ca+2 + VO2+ + 2 H2O + log_k 19.48 + delta_h -35.07 kcal Ca2V2O7 - CaVO3.5 + 3H+ = Ca+2 + VO2+ + 1.5H2O - log_k 8.75 - delta_h -19.06 kcal + CaVO3.5 + 3 H+ = Ca+2 + VO2+ + 1.5 H2O + log_k 8.75 + delta_h -19.06 kcal Fe_Vanadate - Fe0.5VO3 + 2H+ = 0.5Fe+2 + VO2+ + H2O - log_k -1.86 - delta_h -7.37 kcal + Fe0.5VO3 + 2 H+ = 0.5 Fe+2 + VO2+ + H2O + log_k -1.86 + delta_h -7.37 kcal Mg_Vanadate - Mg0.5VO3 + 2H+ = 0.5Mg+2 + VO2+ + H2O - log_k 5.64 - delta_h -16.33 kcal + Mg0.5VO3 + 2 H+ = 0.5 Mg+2 + VO2+ + H2O + log_k 5.64 + delta_h -16.33 kcal Mg2V2O7 - MgVO3.5 + 3H+ = Mg+2 + VO2+ + 1.5H2O - log_k 13.18 - delta_h -30.5 kcal + MgVO3.5 + 3 H+ = Mg+2 + VO2+ + 1.5 H2O + log_k 13.18 + delta_h -30.5 kcal Mn_Vanadate - Mn0.5VO3 + 2H+ = 0.5Mn+2 + VO2+ + H2O - log_k 2.45 - delta_h -11.05 kcal + Mn0.5VO3 + 2 H+ = 0.5 Mn+2 + VO2+ + H2O + log_k 2.45 + delta_h -11.05 kcal NH4VO3 - NH4VO3 + 2H+ = NH4+ + VO2+ + H2O - log_k 2.69 - delta_h -3.77 kcal + NH4VO3 + 2 H+ = NH4+ + VO2+ + H2O + log_k 2.69 + delta_h -3.77 kcal Na_Vanadate - NaVO3 + 2H+ = Na+ + VO2+ + H2O - log_k 3.71 - delta_h -7.01 kcal + NaVO3 + 2 H+ = Na+ + VO2+ + H2O + log_k 3.71 + delta_h -7.01 kcal Na3VO4 - Na3VO4 + 4H+ = 3Na+ + VO2+ + 2H2O - log_k 36.94 - delta_h -44.42 kcal + Na3VO4 + 4 H+ = 3 Na+ + VO2+ + 2 H2O + log_k 36.94 + delta_h -44.42 kcal Na4V2O7 - Na2VO3.5 + 3H+ = 2Na+ + VO2+ + 1.5H2O - log_k 18.7 - delta_h -24.03 kcal + Na2VO3.5 + 3 H+ = 2 Na+ + VO2+ + 1.5 H2O + log_k 18.7 + delta_h -24.03 kcal Pb3(VO4)2 - Pb1.5VO4 + 4H+ = 1.5Pb+2 + VO2+ + 2H2O - log_k 3.07 - delta_h -8.68 kcal + Pb1.5VO4 + 4 H+ = 1.5 Pb+2 + VO2+ + 2 H2O + log_k 3.07 + delta_h -8.68 kcal Pb2V2O7 - PbVO3.5 + 3H+ = Pb+2 + VO2+ + 1.5H2O - log_k -0.95 - delta_h -3.22 kcal + PbVO3.5 + 3 H+ = Pb+2 + VO2+ + 1.5 H2O + log_k -0.95 + delta_h -3.22 kcal Carnotite - KUO2VO4 + 4H+ = K+ + UO2+2 + VO2+ + 2H2O - log_k 0.23 - delta_h -8.7 kcal + KUO2VO4 + 4 H+ = K+ + UO2+2 + VO2+ + 2 H2O + log_k 0.23 + delta_h -8.7 kcal Ag_Vanadate - AgVO3 + 2H+ = Ag+ + VO2+ + H2O - log_k 0.77 - delta_h -0 kcal + AgVO3 + 2 H+ = Ag+ + VO2+ + H2O + log_k 0.77 + delta_h -0 kcal Ag2HVO4 - Ag2HVO4 + 3H+ = 2Ag+ + VO2+ + 2H2O - log_k 1.48 - delta_h -0 kcal + Ag2HVO4 + 3 H+ = 2 Ag+ + VO2+ + 2 H2O + log_k 1.48 + delta_h -0 kcal Ag3H2VO5 - Ag3H2VO5 + 4H+ = 3Ag+ + VO2+ + 3H2O - log_k 5.18 - delta_h -0 kcal + Ag3H2VO5 + 4 H+ = 3 Ag+ + VO2+ + 3 H2O + log_k 5.18 + delta_h -0 kcal VO2Cl VO2Cl = VO2+ + Cl- - log_k 2.81 - delta_h -9.65 kcal + log_k 2.81 + delta_h -9.65 kcal V3O5 - V3O5 + 4H+ = 3VO+2 + 2H2O + 2e- - log_k 1.87 - delta_h -23.53 kcal + V3O5 + 4 H+ = 3 VO+2 + 2 H2O + 2 e- + log_k 1.87 + delta_h -23.53 kcal V4O7 - V4O7 + 6H+ = 4VO+2 + 3H2O + 2e- - log_k 7.14 - delta_h -39.15 kcal + V4O7 + 6 H+ = 4 VO+2 + 3 H2O + 2 e- + log_k 7.14 + delta_h -39.15 kcal V6O13 - V6O13 + 2H+ = 6VO2+ + H2O + 4e- - log_k -60.86 - delta_h 64.89 kcal + V6O13 + 2 H+ = 6 VO2+ + H2O + 4 e- + log_k -60.86 + delta_h 64.89 kcal Lime - CaO + 2H+ = Ca+2 + H2O - log_k 32.797 + CaO + 2 H+ = Ca+2 + H2O + log_k 32.797 delta_h -46.265 kcal Portlandite - Ca(OH)2 + 2H+ = Ca+2 + 2H2O - log_k 22.675 - delta_h -30.69 kcal + Ca(OH)2 + 2 H+ = Ca+2 + 2 H2O + log_k 22.675 + delta_h -30.69 kcal # not balanced #Wustite @@ -4859,213 +4863,213 @@ Portlandite # log_k 11.687 # delta_h -24.846 kcal Periclase - MgO + 2H+ = Mg+2 + H2O - log_k 21.51 + MgO + 2 H+ = Mg+2 + H2O + log_k 21.51 delta_h -36.135 kcal Hercynite - FeAl2O4 + 8H+ = Fe+2 + 2Al+3 + 4H2O - log_k 27.162 - delta_h -78.36 kcal + FeAl2O4 + 8 H+ = Fe+2 + 2 Al+3 + 4 H2O + log_k 27.162 + delta_h -78.36 kcal Spinel - MgAl2O4 + 8H+ = Mg+2 + 2Al+3 + 4H2O - log_k 36.333 + MgAl2O4 + 8 H+ = Mg+2 + 2 Al+3 + 4 H2O + log_k 36.333 delta_h -89.089 kcal Mg-Ferrite - MgFe2O4 + 8H+ = Mg+2 + 2Fe+3 + 4H2O - log_k 16.765 + MgFe2O4 + 8 H+ = Mg+2 + 2 Fe+3 + 4 H2O + log_k 16.765 delta_h -66.639 kcal Cryolite - Na3AlF6 = Al+3 + 3Na+ + 6F- - log_k -31.49 - delta_h 10.904 kcal + Na3AlF6 = Al+3 + 3 Na+ + 6 F- + log_k -31.49 + delta_h 10.904 kcal Wollastonite - CaSiO3 + H2O + 2H+ = H4SiO4 + Ca+2 - log_k 12.996 + CaSiO3 + H2O + 2 H+ = H4SiO4 + Ca+2 + log_k 12.996 delta_h -19.498 kcal P-Wollstanite - CaSiO3 + H2O + 2H+ = H4SiO4 + Ca+2 - log_k 13.846 + CaSiO3 + H2O + 2 H+ = H4SiO4 + Ca+2 + log_k 13.846 delta_h -21.068 kcal Ca-Olivine - Ca2SiO4 + 4H+ = H4SiO4 + 2Ca+2 - log_k 37.649 + Ca2SiO4 + 4 H+ = H4SiO4 + 2 Ca+2 + log_k 37.649 delta_h -54.695 kcal Larnite - Ca2SiO4 + 4H+ = H4SiO4 + 2Ca+2 - log_k 39.141 + Ca2SiO4 + 4 H+ = H4SiO4 + 2 Ca+2 + log_k 39.141 delta_h -57.238 kcal Ca3SiO5 - Ca3SiO5 + 6H+ = H4SiO4 + 3Ca+2 + H2O - log_k 73.867 - delta_h -106.335 kcal + Ca3SiO5 + 6 H+ = H4SiO4 + 3 Ca+2 + H2O + log_k 73.867 + delta_h -106.335 kcal Monticellite - CaMgSiO4 + 4H+ = H4SiO4 + Ca+2 + Mg+2 - log_k 30.272 + CaMgSiO4 + 4 H+ = H4SiO4 + Ca+2 + Mg+2 + log_k 30.272 delta_h -49.421 kcal Akerminite - Ca2MgSi2O7 + H2O + 6H+ = 2H4SiO4 + 2Ca+2 + Mg+2 - log_k 47.472 + Ca2MgSi2O7 + H2O + 6 H+ = 2 H4SiO4 + 2 Ca+2 + Mg+2 + log_k 47.472 delta_h -76.445 kcal Merwinite - Ca3MgSi2O8 + 8H+ = 2H4SiO4 + Mg+2 + 3Ca+2 - log_k 68.543 - delta_h -107.111 kcal + Ca3MgSi2O8 + 8 H+ = 2 H4SiO4 + Mg+2 + 3 Ca+2 + log_k 68.543 + delta_h -107.111 kcal Kalsilite - KAlSiO4 + 4H+ = H4SiO4 + Al+3 + K+ - log_k 12.838 + KAlSiO4 + 4 H+ = H4SiO4 + Al+3 + K+ + log_k 12.838 delta_h -28.919 kcal Leucite - KAlSi2O6 + 2H2O + 4H+ = 2H4SiO4 + Al+3 + K+ - log_k 6.423 + KAlSi2O6 + 2 H2O + 4 H+ = 2 H4SiO4 + Al+3 + K+ + log_k 6.423 delta_h -22.085 kcal Microcline - KAlSi3O8 + 4H2O + 4H+ = 3H4SiO4 + Al+3 + K+ - log_k 0.616 + KAlSi3O8 + 4 H2O + 4 H+ = 3 H4SiO4 + Al+3 + K+ + log_k 0.616 delta_h -12.309 kcal Sanidine(H) - KAlSi3O8 + 4H2O + 4H+ = 3H4SiO4 + Al+3 + K+ - log_k 1.062 + KAlSi3O8 + 4 H2O + 4 H+ = 3 H4SiO4 + Al+3 + K+ + log_k 1.062 delta_h -14.252 kcal Nepheline - NaAlSiO4 + 4H+ = H4SiO4 + Al+3 + Na+ - log_k 14.218 + NaAlSiO4 + 4 H+ = H4SiO4 + Al+3 + Na+ + log_k 14.218 delta_h -33.204 kcal Gehlenite - Ca2Al2SiO7 + 10H+ = 2Al+3 + H4SiO4 + 2Ca+2 + 3H2O - log_k 56.822 - delta_h -116.125 kcal + Ca2Al2SiO7 + 10 H+ = 2 Al+3 + H4SiO4 + 2 Ca+2 + 3 H2O + log_k 56.822 + delta_h -116.125 kcal Lepidocrocite - FeOOH + 3H+ = Fe+3 + 2H2O - log_k 1.371 - delta_h -0 kcal + FeOOH + 3 H+ = Fe+3 + 2 H2O + log_k 1.371 + delta_h -0 kcal Na-Nontronite - Fe2Al.33Si3.67O10(OH)2Na0.33 + 7.32H+ + 2.68H2O = 0.33Al+3 + 2Fe+3 + 0.33Na+ + 3.67H4SiO4 - log_k -14.504 - delta_h -0 kcal + Fe2Al.33Si3.67O10(OH)2Na0.33 + 7.32 H+ + 2.68 H2O = 0.33 Al+3 + 2 Fe+3 + 0.33 Na+ + 3.67 H4SiO4 + log_k -14.504 + delta_h -0 kcal K-Nontronite - Fe2Al.33Si3.67O10(OH)2K0.33 + 7.32H+ + 2.68H2O = 0.33Al+3 + 2Fe+3 + 0.33K+ + 3.67H4SiO4 - log_k -15.549 - delta_h -0 kcal + Fe2Al.33Si3.67O10(OH)2K0.33 + 7.32 H+ + 2.68 H2O = 0.33 Al+3 + 2 Fe+3 + 0.33 K+ + 3.67 H4SiO4 + log_k -15.549 + delta_h -0 kcal Ca-Nontronite - Fe2Al.33Si3.67O10(OH)2Ca0.165 + 7.32H+ + 2.68H2O = 0.33Al+3 + 2Fe+3 + 0.165Ca+2 + 3.67H4SiO4 - log_k -20.889 - delta_h -0 kcal + Fe2Al.33Si3.67O10(OH)2Ca0.165 + 7.32 H+ + 2.68 H2O = 0.33 Al+3 + 2 Fe+3 + 0.165 Ca+2 + 3.67 H4SiO4 + log_k -20.889 + delta_h -0 kcal Mg-Nontronite - Fe2Al.33Si3.67O10(OH)2Mg0.165 + 7.32H+ + 2.68H2O = 0.33Al+3 + 2Fe+3 + 0.165Mg+2 + 3.67H4SiO4 - log_k -20.589 - delta_h -0 kcal + Fe2Al.33Si3.67O10(OH)2Mg0.165 + 7.32 H+ + 2.68 H2O = 0.33 Al+3 + 2 Fe+3 + 0.165 Mg+2 + 3.67 H4SiO4 + log_k -20.589 + delta_h -0 kcal Montmorillonite - Mg0.485Fe.22Al1.71Si3.81O10(OH)2 + 6.76H+ + 3.24H2O = 3.81H4SiO4 + 0.485Mg+2 + 0.22Fe+3 + 1.71Al+3 - log_k 2.67 - delta_h -0 kcal + Mg0.485Fe.22Al1.71Si3.81O10(OH)2 + 6.76 H+ + 3.24 H2O = 3.81 H4SiO4 + 0.485 Mg+2 + 0.22 Fe+3 + 1.71 Al+3 + log_k 2.67 + delta_h -0 kcal TlMetal Tl = Tl+ + e- - log_k 5.6733 - delta_h 1.28 kcal + log_k 5.6733 + delta_h 1.28 kcal Tl2O - Tl2O + 2H+ = 2Tl+ + H2O - log_k 27.0984 + Tl2O + 2 H+ = 2 Tl+ + H2O + log_k 27.0984 delta_h -23.055 kcal TlOH TlOH + H+ = Tl+ + H2O - log_k 12.9225 - delta_h -9.935 kcal + log_k 12.9225 + delta_h -9.935 kcal TlCl TlCl = Tl+ + Cl- - log_k -3.7243 - delta_h 10.137 kcal + log_k -3.7243 + delta_h 10.137 kcal TlBr TlBr = Tl+ + Br- - log_k -5.419 - delta_h 13.641 kcal + log_k -5.419 + delta_h 13.641 kcal TlI TlI = Tl+ + I- - log_k -7.1964 - delta_h 17.281 kcal + log_k -7.1964 + delta_h 17.281 kcal Tl2S - Tl2S + H+ = 2Tl+ + HS- - log_k -7.1832 - delta_h 21.56 kcal + Tl2S + H+ = 2 Tl+ + HS- + log_k -7.1832 + delta_h 21.56 kcal Tl2SO4 - Tl2SO4 = 2Tl+ + SO4-2 - log_k -3.6942 - delta_h 7.94 kcal + Tl2SO4 = 2 Tl+ + SO4-2 + log_k -3.6942 + delta_h 7.94 kcal Tl2Se - Tl2Se + H+ = 2Tl+ + HSe- - log_k -6.6848 - delta_h 20.36 kcal + Tl2Se + H+ = 2 Tl+ + HSe- + log_k -6.6848 + delta_h 20.36 kcal Tl2SeO4 - Tl2SeO4 = 2Tl+ + SeO4-2 - log_k -4.0168 - delta_h 9.76 kcal + Tl2SeO4 = 2 Tl+ + SeO4-2 + log_k -4.0168 + delta_h 9.76 kcal TlNO3 TlNO3 = Tl+ + NO3- - log_k -1.5319 - delta_h 10.02 kcal + log_k -1.5319 + delta_h 10.02 kcal Tl2CO3 - Tl2CO3 = 2Tl+ + CO3-2 - log_k -3.8482 - delta_h 8.02 kcal + Tl2CO3 = 2 Tl+ + CO3-2 + log_k -3.8482 + delta_h 8.02 kcal Tl(OH)3 Tl(OH)3 = Tl(OH)3 - log_k -6.4503 - delta_h -0 kcal + log_k -6.4503 + delta_h -0 kcal Avicennite - Tl2O3 + 3H2O = 2Tl(OH)3 - log_k -16.3236 - delta_h -0 kcal + Tl2O3 + 3 H2O = 2 Tl(OH)3 + log_k -16.3236 + delta_h -0 kcal Se(hex) - Se + H+ + 2e- = HSe- - log_k -7.6963 - delta_h 3.8 kcal + Se + H+ + 2 e- = HSe- + log_k -7.6963 + delta_h 3.8 kcal Se(A) - Se + H+ + 2e- = HSe- - log_k -7.1099 - delta_h 2.6 kcal + Se + H+ + 2 e- = HSe- + log_k -7.1099 + delta_h 2.6 kcal Ferroselite - FeSe2 + 2H+ + 2e- = 2HSe- + Fe+2 - log_k -18.5959 - delta_h 11.3 kcal + FeSe2 + 2 H+ + 2 e- = 2 HSe- + Fe+2 + log_k -18.5959 + delta_h 11.3 kcal Clausthalite PbSe + H+ = HSe- + Pb+2 - log_k -21.2162 - delta_h 28 kcal + log_k -21.2162 + delta_h 28 kcal Ag2Se - Ag2Se + H+ = HSe- + 2Ag+ - log_k -43.6448 - delta_h 64.95 kcal + Ag2Se + H+ = HSe- + 2 Ag+ + log_k -43.6448 + delta_h 64.95 kcal CdSe CdSe + H+ = HSe- + Cd+2 - log_k -18.0739 - delta_h 18.16 kcal + log_k -18.0739 + delta_h 18.16 kcal CuSe CuSe + H+ = HSe- + Cu+2 - log_k -26.5121 - delta_h 28.95 kcal + log_k -26.5121 + delta_h 28.95 kcal Cu2Se(alpha) - Cu2Se + H+ = HSe- + 2Cu+ - log_k -36.0922 - delta_h 51.21 kcal + Cu2Se + H+ = HSe- + 2 Cu+ + log_k -36.0922 + delta_h 51.21 kcal CuSe2 - CuSe2 + 2H+ + 2e- = 2HSe- + Cu+2 - log_k -33.3655 - delta_h 33.6 kcal + CuSe2 + 2 H+ + 2 e- = 2 HSe- + Cu+2 + log_k -33.3655 + delta_h 33.6 kcal Cu3Se2 - Cu3Se2 + 2H+ = 2HSe- + 2Cu+ + Cu+2 - log_k -63.4911 - delta_h 81.34 kcal + Cu3Se2 + 2 H+ = 2 HSe- + 2 Cu+ + Cu+2 + log_k -63.4911 + delta_h 81.34 kcal FeSe FeSe + H+ = HSe- + Fe+2 - log_k -7.1466 - delta_h 0.5 kcal + log_k -7.1466 + delta_h 0.5 kcal MnSe MnSe + H+ = HSe- + Mn+2 - log_k 5.3508 - delta_h -13.46 kcal + log_k 5.3508 + delta_h -13.46 kcal ZnSe ZnSe + H+ = HSe- + Zn+2 - log_k -11.3642 - delta_h 6.439 kcal + log_k -11.3642 + delta_h 6.439 kcal # cobalt not defined #CoSe @@ -5075,52 +5079,52 @@ ZnSe NiSe NiSe + H+ = HSe- + Ni+2 - log_k -17.7382 - delta_h -0 kcal + log_k -17.7382 + delta_h -0 kcal SeO2 SeO2 + H2O = HSeO3- + H+ - log_k 0.1246 - delta_h 0.335 kcal + log_k 0.1246 + delta_h 0.335 kcal BaSeO3 BaSeO3 + H+ = HSeO3- + Ba+2 - log_k 4.1634 - delta_h -6.28 kcal + log_k 4.1634 + delta_h -6.28 kcal CaSeO3:2H2O - CaSeO3:2H2O + H+ = HSeO3- + Ca+2 + 2H2O - log_k 2.8139 - delta_h -4.65 kcal + CaSeO3:2H2O + H+ = HSeO3- + Ca+2 + 2 H2O + log_k 2.8139 + delta_h -4.65 kcal CuSeO3:2H2O - CuSeO3:2H2O + H+ = HSeO3- + Cu+2 + 2H2O - log_k 0.4838 - delta_h -8.81 kcal + CuSeO3:2H2O + H+ = HSeO3- + Cu+2 + 2 H2O + log_k 0.4838 + delta_h -8.81 kcal Fe2(SeO3)3:2H2O - Fe2(SeO3)3:2H2O + 3H+ = 3HSeO3- + 2Fe+3 + 2H2O - log_k -20.6262 - delta_h -0 kcal + Fe2(SeO3)3:2H2O + 3 H+ = 3 HSeO3- + 2 Fe+3 + 2 H2O + log_k -20.6262 + delta_h -0 kcal Fe2(OH)4SeO3 - Fe2(OH)4SeO3 + 5H+ = HSeO3- + 2Fe+3 + 4H2O - log_k 1.5539 - delta_h -0 kcal + Fe2(OH)4SeO3 + 5 H+ = HSeO3- + 2 Fe+3 + 4 H2O + log_k 1.5539 + delta_h -0 kcal MgSeO3:6H2O - MgSeO3:6H2O + H+ = HSeO3- + Mg+2 + 6H2O - log_k 4.0314 - delta_h 1.25 kcal + MgSeO3:6H2O + H+ = HSeO3- + Mg+2 + 6 H2O + log_k 4.0314 + delta_h 1.25 kcal MnSeO3:2H2O - MnSeO3:2H2O + H+ = HSeO3- + Mn+2 + 2H2O - log_k 0.9822 - delta_h 2.03 kcal + MnSeO3:2H2O + H+ = HSeO3- + Mn+2 + 2 H2O + log_k 0.9822 + delta_h 2.03 kcal NiSeO3:2H2O - NiSeO3:2H2O + H+ = HSeO3- + Ni+2 + 2H2O - log_k 2.8147 - delta_h -7.41 kcal + NiSeO3:2H2O + H+ = HSeO3- + Ni+2 + 2 H2O + log_k 2.8147 + delta_h -7.41 kcal SrSeO3 SrSeO3 + H+ = HSeO3- + Sr+2 - log_k 0.1034 - delta_h -0 kcal + log_k 0.1034 + delta_h -0 kcal MnSeO3 MnSeO3 + H+ = HSeO3- + Mn+2 - log_k 1.21 - delta_h -0 kcal + log_k 1.21 + delta_h -0 kcal # cobalt not defined #CoSeO3 @@ -5128,181 +5132,181 @@ MnSeO3 # log_k 0.1906 # delta_h -0 kcal Ag2SeO3 - Ag2SeO3 + H+ = HSeO3- + 2Ag+ - log_k -7.07 - delta_h 9.47 kcal + Ag2SeO3 + H+ = HSeO3- + 2 Ag+ + log_k -7.07 + delta_h 9.47 kcal SeO3 - SeO3 + H2O = SeO4-2 + 2H+ - log_k 21.044 + SeO3 + H2O = SeO4-2 + 2 H+ + log_k 21.044 delta_h -34.985 kcal Ag2SeO4 - Ag2SeO4 = SeO4-2 + 2Ag+ - log_k -8.9014 - delta_h 10.45 kcal + Ag2SeO4 = SeO4-2 + 2 Ag+ + log_k -8.9014 + delta_h 10.45 kcal BaSeO4 BaSeO4 = SeO4-2 + Ba+2 - log_k -5.1895 - delta_h 2 kcal + log_k -5.1895 + delta_h 2 kcal CaSeO4:2H2O - CaSeO4:2H2O = SeO4-2 + Ca+2 + 2H2O - log_k -2.9473 - delta_h 0.88 kcal + CaSeO4:2H2O = SeO4-2 + Ca+2 + 2 H2O + log_k -2.9473 + delta_h 0.88 kcal PbSeO4 PbSeO4 = SeO4-2 + Pb+2 - log_k -6.8387 - delta_h 3.8 kcal + log_k -6.8387 + delta_h 3.8 kcal SrSeO4 SrSeO4 = SeO4-2 + Sr+2 - log_k -6.8747 - delta_h 2.69 kcal + log_k -6.8747 + delta_h 2.69 kcal HgMetal - Hg = 0.5Hg2+2 + e- - log_k -13.4552 - delta_h 19.935 kcal + Hg = 0.5 Hg2+2 + e- + log_k -13.4552 + delta_h 19.935 kcal Hg2Br2 - Hg2Br2 = Hg2+2 + 2Br- - log_k -22.2091 - delta_h 31.252 kcal + Hg2Br2 = Hg2+2 + 2 Br- + log_k -22.2091 + delta_h 31.252 kcal Hg2CO3 Hg2CO3 = Hg2+2 + CO3-2 - log_k -13.9586 - delta_h -0 kcal + log_k -13.9586 + delta_h -0 kcal Calomel - Hg2Cl2 = Hg2+2 + 2Cl- - log_k -17.8427 - delta_h 23.444 kcal + Hg2Cl2 = Hg2+2 + 2 Cl- + log_k -17.8427 + delta_h 23.444 kcal Hg2F2 - Hg2F2 = Hg2+2 + 2F- - log_k -3.0811 - delta_h -4.432 kcal + Hg2F2 = Hg2+2 + 2 F- + log_k -3.0811 + delta_h -4.432 kcal Hg2I2 - Hg2I2 = Hg2+2 + 2I- - log_k -28.2782 - delta_h -0 kcal + Hg2I2 = Hg2+2 + 2 I- + log_k -28.2782 + delta_h -0 kcal Hg2(OH)2 - Hg2(OH)2 + 2H+ = Hg2+2 + 2H2O - log_k 5.2603 - delta_h -0 kcal + Hg2(OH)2 + 2 H+ = Hg2+2 + 2 H2O + log_k 5.2603 + delta_h -0 kcal Hg2HPO4 Hg2HPO4 = Hg2+2 + H+ + PO4-3 - log_k -25.9795 - delta_h -0 kcal + log_k -25.9795 + delta_h -0 kcal Hg2S Hg2S + H+ = Hg2+2 + HS- - log_k -11.6765 - delta_h 16.67 kcal + log_k -11.6765 + delta_h 16.67 kcal Hg2SO4 Hg2SO4 = Hg2+2 + SO4-2 - log_k -6.1593 - delta_h 0.23 kcal + log_k -6.1593 + delta_h 0.23 kcal Hg2SeO3 Hg2SeO3 + H+ = Hg2+2 + HSeO3- - log_k -4.657 - delta_h -0 kcal + log_k -4.657 + delta_h -0 kcal HgBr2 - HgBr2 + 2H2O = Hg(OH)2 + 2Br- + 2H+ - log_k -25.373 - delta_h 34.452 kcal + HgBr2 + 2 H2O = Hg(OH)2 + 2 Br- + 2 H+ + log_k -25.373 + delta_h 34.452 kcal HgCO3 - HgCO3 + 2H2O = Hg(OH)2 + CO3-2 + 2H+ - log_k -28.6817 - delta_h 22.13 kcal + HgCO3 + 2 H2O = Hg(OH)2 + CO3-2 + 2 H+ + log_k -28.6817 + delta_h 22.13 kcal HgCl2 - HgCl2 + 2H2O = Hg(OH)2 + 2Cl- + 2H+ - log_k -21.7858 - delta_h 27.264 kcal + HgCl2 + 2 H2O = Hg(OH)2 + 2 Cl- + 2 H+ + log_k -21.7858 + delta_h 27.264 kcal Coccinite - HgI2 + 2H2O = Hg(OH)2 + 2I- + 2H+ - log_k -34.6599 - delta_h 49.732 kcal + HgI2 + 2 H2O = Hg(OH)2 + 2 I- + 2 H+ + log_k -34.6599 + delta_h 49.732 kcal Montroydite HgO + H2O = Hg(OH)2 - log_k -3.6503 - delta_h 5.115 kcal + log_k -3.6503 + delta_h 5.115 kcal Hg(OH)2 Hg(OH)2 = Hg(OH)2 - log_k -3.4963 - delta_h -0 kcal + log_k -3.4963 + delta_h -0 kcal Cinnabar - HgS + 2H2O = Hg(OH)2 + HS- + H+ - log_k -45.1885 - delta_h 60.43 kcal + HgS + 2 H2O = Hg(OH)2 + HS- + H+ + log_k -45.1885 + delta_h 60.43 kcal Metacinnabar - HgS + 2H2O = Hg(OH)2 + HS- + H+ - log_k -44.822 - delta_h 59.53 kcal + HgS + 2 H2O = Hg(OH)2 + HS- + H+ + log_k -44.822 + delta_h 59.53 kcal HgSO4 - HgSO4 + 2H2O = Hg(OH)2 + SO4-2 + 2H+ - log_k -9.4189 - delta_h 3.51 kcal + HgSO4 + 2 H2O = Hg(OH)2 + SO4-2 + 2 H+ + log_k -9.4189 + delta_h 3.51 kcal HgSeO3 - HgSeO3 + 2H2O = Hg(OH)2 + HSeO3- + H+ - log_k -12.6953 - delta_h -0 kcal + HgSeO3 + 2 H2O = Hg(OH)2 + HSeO3- + H+ + log_k -12.6953 + delta_h -0 kcal HgI2:2NH3 - HgI2:2NH3 + 2H2O = Hg(OH)2 + 2I- + 2NH4+ - log_k -16.1066 - delta_h 32.632 kcal + HgI2:2NH3 + 2 H2O = Hg(OH)2 + 2 I- + 2 NH4+ + log_k -16.1066 + delta_h 32.632 kcal HgI2:6NH3 - HgI2:6NH3 + 2H2O + 4H+ = Hg(OH)2 + 2I- + 6NH4+ - log_k 33.8566 + HgI2:6NH3 + 2 H2O + 4 H+ = Hg(OH)2 + 2 I- + 6 NH4+ + log_k 33.8566 delta_h -20.568 kcal Cr(OH)2 - Cr(OH)2 + 2H+ = Cr+2 + 2H2O - log_k 10.8189 - delta_h -8.51 kcal + Cr(OH)2 + 2 H+ = Cr+2 + 2 H2O + log_k 10.8189 + delta_h -8.51 kcal CrBr3 - CrBr3 + 2H2O = Cr(OH)2+ + 3Br- + 2H+ - log_k 19.9086 + CrBr3 + 2 H2O = Cr(OH)2+ + 3 Br- + 2 H+ + log_k 19.9086 delta_h -33.777 kcal CrCl3 - CrCl3 + 2H2O = Cr(OH)2+ + 3Cl- + 2H+ - log_k 13.5067 + CrCl3 + 2 H2O = Cr(OH)2+ + 3 Cl- + 2 H+ + log_k 13.5067 delta_h -27.509 kcal CrF3 - CrF3 + 2H2O = Cr(OH)2+ + 3F- + 2H+ - log_k -13.2597 - delta_h -4.363 kcal + CrF3 + 2 H2O = Cr(OH)2+ + 3 F- + 2 H+ + log_k -13.2597 + delta_h -4.363 kcal CrI3 - CrI3 + 2H2O = Cr(OH)2+ + 3I- + 2H+ - log_k 20.4767 + CrI3 + 2 H2O = Cr(OH)2+ + 3 I- + 2 H+ + log_k 20.4767 delta_h -32.127 kcal FeCr2O4 - FeCr2O4 + 4H+ = 2Cr(OH)2+ + Fe+2 - log_k -0.9016 - delta_h -24.86 kcal + FeCr2O4 + 4 H+ = 2 Cr(OH)2+ + Fe+2 + log_k -0.9016 + delta_h -24.86 kcal MgCr2O4 - MgCr2O4 + 4H+ = 2Cr(OH)2+ + Mg+2 - log_k 12.0796 - delta_h -39.86 kcal + MgCr2O4 + 4 H+ = 2 Cr(OH)2+ + Mg+2 + log_k 12.0796 + delta_h -39.86 kcal CrMetal - Cr = Cr+2 + 2e- - log_k 32.244 - delta_h -34.3 kcal + Cr = Cr+2 + 2 e- + log_k 32.244 + delta_h -34.3 kcal Cr2O3 - Cr2O3 + 2H+ + H2O = 2Cr(OH)2+ - log_k -3.3937 + Cr2O3 + 2 H+ + H2O = 2 Cr(OH)2+ + log_k -3.3937 delta_h -12.125 kcal Cr(OH)3(A) Cr(OH)3 + H+ = Cr(OH)2+ + H2O - log_k -0.75 - delta_h -0 kcal + log_k -0.75 + delta_h -0 kcal Cr(OH)3(C) Cr(OH)3 + H+ = Cr(OH)2+ + H2O - log_k 1.7005 - delta_h -7.115 kcal + log_k 1.7005 + delta_h -7.115 kcal CrCl2 - CrCl2 = Cr+2 + 2Cl- - log_k 15.8676 + CrCl2 = Cr+2 + 2 Cl- + log_k 15.8676 delta_h -19.666 kcal Ag2CrO4 - Ag2CrO4 = CrO4-2 + 2Ag+ - log_k -11.5548 - delta_h 14.04 kcal + Ag2CrO4 = CrO4-2 + 2 Ag+ + log_k -11.5548 + delta_h 14.04 kcal BaCrO4 BaCrO4 = CrO4-2 + Ba+2 - log_k -9.6681 - delta_h 6.39 kcal + log_k -9.6681 + delta_h 6.39 kcal # Cesium not defined #Cs2CrO4 @@ -5316,335 +5320,335 @@ BaCrO4 CuCrO4 CuCrO4 = CrO4-2 + Cu+2 - log_k -5.4754 - delta_h -0 kcal + log_k -5.4754 + delta_h -0 kcal K2CrO4 - K2CrO4 = CrO4-2 + 2K+ - log_k 0.0073 - delta_h 4.25 kcal + K2CrO4 = CrO4-2 + 2 K+ + log_k 0.0073 + delta_h 4.25 kcal K2Cr2O7 - K2Cr2O7 + H2O = 2CrO4-2 + 2K+ + 2H+ - log_k -15.6712 - delta_h 18.125 kcal + K2Cr2O7 + H2O = 2 CrO4-2 + 2 K+ + 2 H+ + log_k -15.6712 + delta_h 18.125 kcal Li2CrO4 - Li2CrO4 = CrO4-2 + 2Li+ - log_k 4.8568 + Li2CrO4 = CrO4-2 + 2 Li+ + log_k 4.8568 delta_h -10.822 kcal MgCrO4 MgCrO4 = CrO4-2 + Mg+2 - log_k 5.3801 - delta_h -21.26 kcal + log_k 5.3801 + delta_h -21.26 kcal (NH4)2CrO4 - (NH4)2CrO4 = CrO4-2 + 2NH4+ - log_k 0.4046 - delta_h 2.19 kcal + (NH4)2CrO4 = CrO4-2 + 2 NH4+ + log_k 0.4046 + delta_h 2.19 kcal Na2CrO4 - Na2CrO4 = CrO4-2 + 2Na+ - log_k 3.2618 - delta_h -4.61 kcal + Na2CrO4 = CrO4-2 + 2 Na+ + log_k 3.2618 + delta_h -4.61 kcal Na2Cr2O7 - Na2Cr2O7 + H2O = 2CrO4-2 + 2Na+ + 2H+ - log_k -9.8953 - delta_h 5.305 kcal + Na2Cr2O7 + H2O = 2 CrO4-2 + 2 Na+ + 2 H+ + log_k -9.8953 + delta_h 5.305 kcal PbCrO4 PbCrO4 = CrO4-2 + Pb+2 - log_k -13.6848 - delta_h 10.23 kcal + log_k -13.6848 + delta_h 10.23 kcal Rb2CrO4 - Rb2CrO4 = CrO4-2 + 2Rb+ - log_k -0.0968 - delta_h 5.892 kcal + Rb2CrO4 = CrO4-2 + 2 Rb+ + log_k -0.0968 + delta_h 5.892 kcal SrCrO4 SrCrO4 = CrO4-2 + Sr+2 - log_k -4.8443 - delta_h -2.42 kcal + log_k -4.8443 + delta_h -2.42 kcal CrO3 - CrO3 + H2O = CrO4-2 + 2H+ - log_k -3.2105 - delta_h -1.245 kcal + CrO3 + H2O = CrO4-2 + 2 H+ + log_k -3.2105 + delta_h -1.245 kcal CaCrO4 CaCrO4 = Ca+2 + CrO4-2 - log_k -2.2657 - delta_h -6.44 kcal + log_k -2.2657 + delta_h -6.44 kcal Hg2CrO4 Hg2CrO4 = Hg2+2 + CrO4-2 - log_k -8.7031 - delta_h -0 kcal + log_k -8.7031 + delta_h -0 kcal Tl2CrO4 - Tl2CrO4 = 2Tl+ + CrO4-2 - log_k -12.0136 - delta_h 25.31 kcal + Tl2CrO4 = 2 Tl+ + CrO4-2 + log_k -12.0136 + delta_h 25.31 kcal Ag4FeCyanide6:H2O - Ag4FeCyanide6:H2O = 6Cyanide- + 4Ag+ + Fe+2 + H2O - log_k -89.6909 - delta_h -0 kcal + Ag4FeCyanide6:H2O = 6 Cyanide- + 4 Ag+ + Fe+2 + H2O + log_k -89.6909 + delta_h -0 kcal AgCyanide AgCyanide = Cyanide- + Ag+ - log_k -16.218 - delta_h 26.385 kcal + log_k -16.218 + delta_h 26.385 kcal Cd2FeCyanide6:7H2O - Cd2FeCyanide6:7H2O = 6Cyanide- + 2Cd+2 + Fe+2 + 7H2O - log_k -62.9824 - delta_h -0 kcal + Cd2FeCyanide6:7H2O = 6 Cyanide- + 2 Cd+2 + Fe+2 + 7 H2O + log_k -62.9824 + delta_h -0 kcal CrCyanide CrCyanide = Cyanide- + Cr+2 + e- - log_k 23.888 - delta_h -0 kcal + log_k 23.888 + delta_h -0 kcal Cr2Cyanide - Cr2Cyanide = Cyanide- + 2Cr+2 + 3e- - log_k 56.645 - delta_h -0 kcal + Cr2Cyanide = Cyanide- + 2 Cr+2 + 3 e- + log_k 56.645 + delta_h -0 kcal CuCyanide CuCyanide = Cyanide- + Cu+ - log_k -19.4974 - delta_h 30.2 kcal + log_k -19.4974 + delta_h 30.2 kcal Cu2FeCyanide6 - Cu2FeCyanide6 = 6Cyanide- + 2Cu+2 + Fe+2 - log_k -61.4168 - delta_h -0 kcal + Cu2FeCyanide6 = 6 Cyanide- + 2 Cu+2 + Fe+2 + log_k -61.4168 + delta_h -0 kcal CyanideI - CyanideI + 2e- = Cyanide- + I- - log_k 11.3114 + CyanideI + 2 e- = Cyanide- + I- + log_k 11.3114 delta_h -17.309 kcal K12Ni8(FeCyanide6)7 - K12Ni8(FeCyanide6)7 = 42Cyanide- + 12K+ + 8Ni+2 + 7Fe+2 - log_k -431.09 - delta_h -0 kcal + K12Ni8(FeCyanide6)7 = 42 Cyanide- + 12 K+ + 8 Ni+2 + 7 Fe+2 + log_k -431.09 + delta_h -0 kcal KCyanide(I) KCyanide = Cyanide- + K+ - log_k 1.4403 - delta_h 2.74 kcal + log_k 1.4403 + delta_h 2.74 kcal K2CdFeCyanide6 - K2CdFeCyanide6 = 6Cyanide- + 2K+ + Cd+2 + Fe+2 - log_k -63.0279 - delta_h -0 kcal + K2CdFeCyanide6 = 6 Cyanide- + 2 K+ + Cd+2 + Fe+2 + log_k -63.0279 + delta_h -0 kcal K4Ni4(FeCyanide6)3 - K4Ni4(FeCyanide6)3 = 18Cyanide- + 4K+ + 4Ni+2 + 3Fe+2 - log_k -183.547 - delta_h -0 kcal + K4Ni4(FeCyanide6)3 = 18 Cyanide- + 4 K+ + 4 Ni+2 + 3 Fe+2 + log_k -183.547 + delta_h -0 kcal K4FeCyanide6 - K4FeCyanide6 = 6Cyanide- + 4K+ + Fe+2 - log_k -48.8241 - delta_h 95.62 kcal + K4FeCyanide6 = 6 Cyanide- + 4 K+ + Fe+2 + log_k -48.8241 + delta_h 95.62 kcal K2Mn3(FeCyanide6)2 - K2Mn3(FeCyanide6)2 = 12Cyanide- + 2K+ + 3Mn+2 + 2Fe+2 - log_k -121.001 - delta_h -0 kcal + K2Mn3(FeCyanide6)2 = 12 Cyanide- + 2 K+ + 3 Mn+2 + 2 Fe+2 + log_k -121.001 + delta_h -0 kcal K2Ni3(FeCyanide6)2 - K2Ni3(FeCyanide6)2 = 12Cyanide- + 2K+ + 3Ni+2 + 2Fe+2 - log_k -123.127 - delta_h -0 kcal + K2Ni3(FeCyanide6)2 = 12 Cyanide- + 2 K+ + 3 Ni+2 + 2 Fe+2 + log_k -123.127 + delta_h -0 kcal K4FeCyanide6:3H2O - K4FeCyanide6:3H2O = 6Cyanide- + 4K+ + Fe+2 + 3H2O - log_k -49.5424 - delta_h 99.175 kcal + K4FeCyanide6:3H2O = 6 Cyanide- + 4 K+ + Fe+2 + 3 H2O + log_k -49.5424 + delta_h 99.175 kcal K12Cd8(FeCyanide6)7 - K12Cd8(FeCyanide6)7 = 42Cyanide- + 12K+ + 8Cd+2 + 7Fe+2 - log_k -441.985 - delta_h -0 kcal + K12Cd8(FeCyanide6)7 = 42 Cyanide- + 12 K+ + 8 Cd+2 + 7 Fe+2 + log_k -441.985 + delta_h -0 kcal KZn1.5FeCyanide6 - KZn1.5FeCyanide6 = 6Cyanide- + K+ + 1.5Zn+2 + Fe+2 - log_k -66.8086 - delta_h -0 kcal + KZn1.5FeCyanide6 = 6 Cyanide- + K+ + 1.5 Zn+2 + Fe+2 + log_k -66.8086 + delta_h -0 kcal K3FeCyanide6 - K3FeCyanide6 = 6Cyanide- + 3K+ + Fe+3 - log_k -54.644 - delta_h 83.29 kcal + K3FeCyanide6 = 6 Cyanide- + 3 K+ + Fe+3 + log_k -54.644 + delta_h 83.29 kcal K8Mn6(FeCyanide6)5 - K8Mn6(FeCyanide6)5 = 30Cyanide- + 8K+ + 6Mn+2 + 5Fe+2 - log_k -293.685 - delta_h -0 kcal + K8Mn6(FeCyanide6)5 = 30 Cyanide- + 8 K+ + 6 Mn+2 + 5 Fe+2 + log_k -293.685 + delta_h -0 kcal K2Cu2FeCyanide6 - K2Cu2FeCyanide6 = 6Cyanide- + 2K+ + 2Cu+ + Fe+2 - log_k -72.5142 - delta_h -0 kcal + K2Cu2FeCyanide6 = 6 Cyanide- + 2 K+ + 2 Cu+ + Fe+2 + log_k -72.5142 + delta_h -0 kcal Mn2FeCyanide6 - Mn2FeCyanide6 = 6Cyanide- + 2Mn+2 + Fe+2 - log_k -59.0272 - delta_h -0 kcal + Mn2FeCyanide6 = 6 Cyanide- + 2 Mn+2 + Fe+2 + log_k -59.0272 + delta_h -0 kcal NaCyanide NaCyanide = Cyanide- + Na+ - log_k 2.2869 - delta_h -0.52 kcal + log_k 2.2869 + delta_h -0.52 kcal Pb2FeCyanide6:3H2O - Pb2FeCyanide6:3H2O = 6Cyanide- + 2Pb+2 + Fe+2 + 3H2O - log_k -63.6011 - delta_h -0 kcal + Pb2FeCyanide6:3H2O = 6 Cyanide- + 2 Pb+2 + Fe+2 + 3 H2O + log_k -63.6011 + delta_h -0 kcal Tl4FeCyanide6:2H2O - Tl4FeCyanide6:2H2O = 6Cyanide- + 4Tl+ + Fe+2 + 2H2O - log_k -56.9162 - delta_h -0 kcal + Tl4FeCyanide6:2H2O = 6 Cyanide- + 4 Tl+ + Fe+2 + 2 H2O + log_k -56.9162 + delta_h -0 kcal Zn2FeCyanide6:2H2O - Zn2FeCyanide6:2H2O = 6Cyanide- + 2Zn+2 + Fe+2 + 2H2O - log_k -61.2321 - delta_h -0 kcal + Zn2FeCyanide6:2H2O = 6 Cyanide- + 2 Zn+2 + Fe+2 + 2 H2O + log_k -61.2321 + delta_h -0 kcal AgCyanate AgCyanate = Cyanate- + Ag+ - log_k -6.6159 - delta_h 13.175 kcal + log_k -6.6159 + delta_h 13.175 kcal Ag4Fe(Cyanide)6 - Ag4Fe(Cyanide)6 = 6Cyanide- + 4Ag+ + Fe+2 - log_k -193.914 - delta_h 260.91 kcal + Ag4Fe(Cyanide)6 = 6 Cyanide- + 4 Ag+ + Fe+2 + log_k -193.914 + delta_h 260.91 kcal Cd2Fe(Cyanide)6 - Cd2Fe(Cyanide)6 = 6Cyanide- + 2Cd+2 + Fe+2 - log_k -28.2243 - delta_h -0 kcal + Cd2Fe(Cyanide)6 = 6 Cyanide- + 2 Cd+2 + Fe+2 + log_k -28.2243 + delta_h -0 kcal Hg(Cyanide)2 - Hg(Cyanide)2 + 2H2O = Hg(OH)2 + 2Cyanide- + 2H+ - log_k -45.3791 - delta_h 60.73 kcal + Hg(Cyanide)2 + 2 H2O = Hg(OH)2 + 2 Cyanide- + 2 H+ + log_k -45.3791 + delta_h 60.73 kcal Pb2Fe(Cyanide)6 - Pb2Fe(Cyanide)6 = 6Cyanide- + 2Pb+2 + Fe+2 - log_k -27.5895 - delta_h -0 kcal + Pb2Fe(Cyanide)6 = 6 Cyanide- + 2 Pb+2 + Fe+2 + log_k -27.5895 + delta_h -0 kcal Zn2Fe(Cyanide)6 - Zn2Fe(Cyanide)6 = 6Cyanide- + 2Zn+2 + Fe+2 - log_k -29.9263 - delta_h -0 kcal + Zn2Fe(Cyanide)6 = 6 Cyanide- + 2 Zn+2 + Fe+2 + log_k -29.9263 + delta_h -0 kcal CH4(g) - CH4 + 3H2O = CO3-2 + 8e- + 10H+ - log_k -40.1 - delta_h 61 kcal + CH4 + 3 H2O = CO3-2 + 8 e- + 10 H+ + log_k -40.1 + delta_h 61 kcal CO2(g) - CO2 + H2O = CO3-2 + 2H+ - log_k -18.16 - delta_h 0.53 kcal + CO2 + H2O = CO3-2 + 2 H+ + log_k -18.16 + delta_h 0.53 kcal O2(g) - O2 + 4H+ + 4e- = 2H2O - log_k 83.12 + O2 + 4 H+ + 4 e- = 2 H2O + log_k 83.12 delta_h -133.83 kcal Hg(g) - Hg = 0.5Hg2+2 + e- - log_k -7.8708 - delta_h 5.265 kcal + Hg = 0.5 Hg2+2 + e- + log_k -7.8708 + delta_h 5.265 kcal Hg2(g) - Hg2 = Hg2+2 + 2e- - log_k -14.963 - delta_h 13.87 kcal + Hg2 = Hg2+2 + 2 e- + log_k -14.963 + delta_h 13.87 kcal Hg(CH3)2(g) - Hg(CH3)2 + 8H2O = Hg(OH)2 + 2CO3-2 + 16e- + 20H+ - log_k -73.724 - delta_h 115.4 kcal + Hg(CH3)2 + 8 H2O = Hg(OH)2 + 2 CO3-2 + 16 e- + 20 H+ + log_k -73.724 + delta_h 115.4 kcal HgBr(g) - HgBr = 0.5Hg2+2 + Br- - log_k 16.79 + HgBr = 0.5 Hg2+2 + Br- + log_k 16.79 delta_h -34.004 kcal HgCl(g) - HgCl = 0.5Hg2+2 + Cl- - log_k 20.5 + HgCl = 0.5 Hg2+2 + Cl- + log_k 20.5 delta_h -40.098 kcal HgF(g) - HgF = 0.5Hg2+2 + F- - log_k 32.72 + HgF = 0.5 Hg2+2 + F- + log_k 32.72 delta_h -60.916 kcal HgI(g) - HgI = 0.5Hg2+2 + I- - log_k 11.15 + HgI = 0.5 Hg2+2 + I- + log_k 11.15 delta_h -25.264 kcal HgBr2(g) - HgBr2 + 2H2O = Hg(OH)2 + 2Br- + 2H+ - log_k -18.47 - delta_h 14.35 kcal + HgBr2 + 2 H2O = Hg(OH)2 + 2 Br- + 2 H+ + log_k -18.47 + delta_h 14.35 kcal HgF2(g) - HgF2 + 2H2O = Hg(OH)2 + 2F- + 2H+ - log_k 0.38 - delta_h -0 kcal + HgF2 + 2 H2O = Hg(OH)2 + 2 F- + 2 H+ + log_k 0.38 + delta_h -0 kcal HgI2(g) - HgI2 + 2H2O = Hg(OH)2 + 2I- + 2H+ - log_k -27.28 - delta_h 28.63 kcal + HgI2 + 2 H2O = Hg(OH)2 + 2 I- + 2 H+ + log_k -27.28 + delta_h 28.63 kcal SURFACE_MASTER_SPECIES - Hfo_s Hfo_sOH - Hfo_w Hfo_wOH + Hfo_s Hfo_sOH + Hfo_w Hfo_wOH SURFACE_SPECIES -Hfo_wOH = Hfo_wOH - log_k 0.0 -Hfo_sOH = Hfo_sOH - log_k 0.0 -Hfo_wOH = Hfo_wO- + H+ - log_k -8.93 -Hfo_wOH + H+ = Hfo_wOH2+ - log_k 7.29 -Hfo_sOH = Hfo_sO- + H+ - log_k -8.93 -Hfo_sOH + H+ = Hfo_sOH2+ - log_k 7.29 -Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+ - log_k -1.99 -Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+ - log_k 0.97 -Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+ - log_k -2.9 -Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+ - log_k 0.43 -Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+ - log_k 2.85 -Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+ - log_k 0.6 -Hfo_sOH + Be+2 = Hfo_sOBe+ + H+ - log_k 1.898 -Hfo_wOH + Be+2 = Hfo_wOBe+ + H+ - log_k -0.8626 -Hfo_sOH + Ni+2 = Hfo_sONi+ + H+ - log_k 0.15 -Hfo_wOH + Ni+2 = Hfo_wONi+ + H+ - log_k -2.5 -Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+ - log_k 4.71 -Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+ - log_k 0.3 -Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+ - log_k -5.85 +Hfo_wOH = Hfo_wOH + log_k 0 +Hfo_sOH = Hfo_sOH + log_k 0 +Hfo_wOH = Hfo_wO- + H+ + log_k -8.93 +Hfo_wOH + H+ = Hfo_wOH2+ + log_k 7.29 +Hfo_sOH = Hfo_sO- + H+ + log_k -8.93 +Hfo_sOH + H+ = Hfo_sOH2+ + log_k 7.29 +Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+ + log_k -1.99 +Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+ + log_k 0.97 +Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+ + log_k -2.9 +Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+ + log_k 0.43 +Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+ + log_k 2.85 +Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+ + log_k 0.6 +Hfo_sOH + Be+2 = Hfo_sOBe+ + H+ + log_k 1.898 +Hfo_wOH + Be+2 = Hfo_wOBe+ + H+ + log_k -0.8626 +Hfo_sOH + Ni+2 = Hfo_sONi+ + H+ + log_k 0.15 +Hfo_wOH + Ni+2 = Hfo_wONi+ + H+ + log_k -2.5 +Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+ + log_k 4.71 +Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+ + log_k 0.3 +Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+ + log_k -5.85 Hfo_sOH + Ca+2 = Hfo_sOHCa+2 - log_k 4.97 + log_k 4.97 Hfo_sOH + Ba+2 = Hfo_sOHBa+2 - log_k 5.46 + log_k 5.46 Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+ - log_k -7.2 -Hfo_sOH + H+ + SO4-2 = Hfo_sSO4- + H2O - log_k 7.78 -Hfo_wOH + H+ + SO4-2 = Hfo_wSO4- + H2O - log_k 7.78 + log_k -7.2 +Hfo_sOH + H+ + SO4-2 = Hfo_sSO4- + H2O + log_k 7.78 +Hfo_wOH + H+ + SO4-2 = Hfo_wSO4- + H2O + log_k 7.78 Hfo_sOH + SO4-2 = Hfo_sOHSO4-2 - log_k 0.79 + log_k 0.79 Hfo_wOH + SO4-2 = Hfo_wOHSO4-2 - log_k 0.79 -Hfo_sOH + PO4-3 + 3H+ = Hfo_sH2PO4 + H2O - log_k 31.29 -Hfo_wOH + PO4-3 + 3H+ = Hfo_wH2PO4 + H2O - log_k 31.29 -Hfo_sOH + PO4-3 + 2H+ = Hfo_sHPO4- + H2O - log_k 25.39 -Hfo_wOH + PO4-3 + 2H+ = Hfo_wHPO4- + H2O - log_k 25.39 + log_k 0.79 +Hfo_sOH + PO4-3 + 3 H+ = Hfo_sH2PO4 + H2O + log_k 31.29 +Hfo_wOH + PO4-3 + 3 H+ = Hfo_wH2PO4 + H2O + log_k 31.29 +Hfo_sOH + PO4-3 + 2 H+ = Hfo_sHPO4- + H2O + log_k 25.39 +Hfo_wOH + PO4-3 + 2 H+ = Hfo_wHPO4- + H2O + log_k 25.39 Hfo_sOH + PO4-3 + H+ = Hfo_sPO4-2 + H2O - log_k 17.72 + log_k 17.72 Hfo_wOH + PO4-3 + H+ = Hfo_wPO4-2 + H2O - log_k 17.72 + log_k 17.72 Hfo_sOH + H3AsO3 = Hfo_sH2AsO3 + H2O - log_k 5.41 + log_k 5.41 Hfo_wOH + H3AsO3 = Hfo_wH2AsO3 + H2O - log_k 5.41 + log_k 5.41 Hfo_sOH + H3AsO4 = Hfo_sH2AsO4 + H2O - log_k 8.67 + log_k 8.67 Hfo_wOH + H3AsO4 = Hfo_wH2AsO4 + H2O - log_k 8.67 -Hfo_sOH + H3AsO4 = Hfo_sHAsO4- + H2O + H+ - log_k 2.99 -Hfo_wOH + H3AsO4 = Hfo_wHAsO4- + H2O + H+ - log_k 2.99 -Hfo_sOH + H3AsO4 = Hfo_sAsO4-2 + H2O + 2H+ - log_k -4.7 -Hfo_wOH + H3AsO4 = Hfo_wAsO4-2 + H2O + 2H+ - log_k -4.7 -Hfo_sOH + H3AsO4 = Hfo_sOHAsO4-3 + 3H+ - log_k -10.15 -Hfo_wOH + H3AsO4 = Hfo_wOHAsO4-3 + 3H+ - log_k -10.15 + log_k 8.67 +Hfo_sOH + H3AsO4 = Hfo_sHAsO4- + H2O + H+ + log_k 2.99 +Hfo_wOH + H3AsO4 = Hfo_wHAsO4- + H2O + H+ + log_k 2.99 +Hfo_sOH + H3AsO4 = Hfo_sAsO4-2 + H2O + 2 H+ + log_k -4.7 +Hfo_wOH + H3AsO4 = Hfo_wAsO4-2 + H2O + 2 H+ + log_k -4.7 +Hfo_sOH + H3AsO4 = Hfo_sOHAsO4-3 + 3 H+ + log_k -10.15 +Hfo_wOH + H3AsO4 = Hfo_wOHAsO4-3 + 3 H+ + log_k -10.15 Hfo_sOH + H3BO3 = Hfo_sH2BO3 + H2O - log_k 0.62 + log_k 0.62 Hfo_wOH + H3BO3 = Hfo_wH2BO3 + H2O - log_k 0.62 + log_k 0.62 END diff --git a/src/phreeqcinwt/databases/minteq.v4.dat b/src/phreeqcinwt/databases/minteq.v4.dat index 48f51bc..3e81fd8 100644 --- a/src/phreeqcinwt/databases/minteq.v4.dat +++ b/src/phreeqcinwt/databases/minteq.v4.dat @@ -1,127 +1,131 @@ +# File 1 = C:\GitPrograms\phreeqc3-1\database\minteq.v4.dat, 15/03/2024 15:27, 13208 lines, 399299 bytes, md5=fa307060a8f8affd6f41cb15d2225ff6 +# Created 17 May 2024 14:30:41 +# c:\3rdParty\lsp\lsp.exe -f2 -k="asis" -ts "minteq.v4.dat" + # $Id: minteq.v4.dat 11091 2016-04-21 15:20:05Z dlpark $ SOLUTION_MASTER_SPECIES -Alkalinity CO3-2 2.0 HCO3 61.0173 -E e- 0 0 0 -O H2O 0 O 16.00 -O(-2) H2O 0 O -O(0) O2 0 O -Ag Ag+ 0.0 Ag 107.868 -Al Al+3 0.0 Al 26.9815 -As H3AsO4 -1.0 As 74.9216 -As(3) H3AsO3 0.0 As -As(5) H3AsO4 -1.0 As -B H3BO3 0.0 B 10.81 -Ba Ba+2 0.0 Ba 137.33 -Be Be+2 0.0 Be 9.0122 -Br Br- 0.0 Br 79.904 -C CO3-2 2.0 CO3 12.0111 -C(4) CO3-2 2.0 CO3 12.0111 -Cyanide Cyanide- 1.0 Cyanide 26.0177 -Dom_a Dom_a 0.0 C 12.0111 -Dom_b Dom_b 0.0 C 12.0111 -Dom_c Dom_c 0.0 C 12.0111 -Ca Ca+2 0.0 Ca 40.078 -Cd Cd+2 0.0 Cd 112.41 -Cl Cl- 0.0 Cl 35.453 -Co Co+3 -1.0 Co 58.9332 -Co(2) Co+2 0.0 Co -Co(3) Co+3 -1.0 Co -Cr CrO4-2 1.0 Cr 51.996 -Cr(2) Cr+2 0.0 Cr -Cr(3) Cr(OH)2+ 0.0 Cr -Cr(6) CrO4-2 1.0 Cr -Cu Cu+2 0.0 Cu 63.546 -Cu(1) Cu+ 0.0 Cu -Cu(2) Cu+2 0.0 Cu -F F- 0.0 F 18.9984 -Fe Fe+3 -2.0 Fe 55.847 -Fe(2) Fe+2 0.0 Fe -Fe(3) Fe+3 -2.0 Fe -H H+ -1.0 H 1.0079 -H(0) H2 0 H -H(1) H+ -1.0 H -Hg Hg(OH)2 0.0 Hg 200.59 -Hg(0) Hg 0.0 Hg -Hg(1) Hg2+2 0.0 Hg -Hg(2) Hg(OH)2 0.0 Hg -I I- 0.0 I 126.904 -K K+ 0.0 K 39.0983 -Li Li+ 0.0 Li 6.941 -Mg Mg+2 0.0 Mg 24.305 -Mn Mn+3 0.0 Mn 54.938 -Mn(2) Mn+2 0.0 Mn -Mn(3) Mn+3 0.0 Mn -Mn(6) MnO4-2 0.0 Mn -Mn(7) MnO4- 0.0 Mn -Mo MoO4-2 0.0 Mo 95.94 -N NO3- 0.0 N 14.0067 -N(-3) NH4+ 0.0 N -N(3) NO2- 0.0 N -N(5) NO3- 0.0 N -Na Na+ 0.0 Na 22.9898 -Ni Ni+2 0.0 Ni 58.69 -P PO4-3 2.0 P 30.9738 -Pb Pb+2 0.0 Pb 207.2 -S SO4-2 0.0 SO4 32.066 -S(-2) HS- 1.0 S +Alkalinity CO3-2 2 HCO3 61.0173 +E e- 1 0 0 +O H2O 0 O 16 +O(-2) H2O 0 O +O(0) O2 0 O +Ag Ag+ 0 Ag 107.868 +Al Al+3 0 Al 26.9815 +As H3AsO4 -1 As 74.9216 +As(3) H3AsO3 0 As +As(5) H3AsO4 -1 As +B H3BO3 0 B 10.81 +Ba Ba+2 0 Ba 137.33 +Be Be+2 0 Be 9.0122 +Br Br- 0 Br 79.904 +C CO3-2 2 CO3 12.0111 +C(4) CO3-2 2 CO3 12.0111 +Cyanide Cyanide- 1 Cyanide 26.0177 +Dom_a Dom_a 0 C 12.0111 +Dom_b Dom_b 0 C 12.0111 +Dom_c Dom_c 0 C 12.0111 +Ca Ca+2 0 Ca 40.078 +Cd Cd+2 0 Cd 112.41 +Cl Cl- 0 Cl 35.453 +Co Co+3 -1 Co 58.9332 +Co(2) Co+2 0 Co +Co(3) Co+3 -1 Co +Cr CrO4-2 1 Cr 51.996 +Cr(2) Cr+2 0 Cr +Cr(3) Cr(OH)2+ 0 Cr +Cr(6) CrO4-2 1 Cr +Cu Cu+2 0 Cu 63.546 +Cu(1) Cu+ 0 Cu +Cu(2) Cu+2 0 Cu +F F- 0 F 18.9984 +Fe Fe+3 -2 Fe 55.847 +Fe(2) Fe+2 0 Fe +Fe(3) Fe+3 -2 Fe +H H+ -1 H 1.0079 +H(0) H2 0 H +H(1) H+ -1 H +Hg Hg(OH)2 0 Hg 200.59 +Hg(0) Hg 0 Hg +Hg(1) Hg2+2 0 Hg +Hg(2) Hg(OH)2 0 Hg +I I- 0 I 126.904 +K K+ 0 K 39.0983 +Li Li+ 0 Li 6.941 +Mg Mg+2 0 Mg 24.305 +Mn Mn+3 0 Mn 54.938 +Mn(2) Mn+2 0 Mn +Mn(3) Mn+3 0 Mn +Mn(6) MnO4-2 0 Mn +Mn(7) MnO4- 0 Mn +Mo MoO4-2 0 Mo 95.94 +N NO3- 0 N 14.0067 +N(-3) NH4+ 0 N +N(3) NO2- 0 N +N(5) NO3- 0 N +Na Na+ 0 Na 22.9898 +Ni Ni+2 0 Ni 58.69 +P PO4-3 2 P 30.9738 +Pb Pb+2 0 Pb 207.2 +S SO4-2 0 SO4 32.066 +S(-2) HS- 1 S #S(0) S 0.0 S -S(6) SO4-2 0.0 SO4 -Sb Sb(OH)6- 0.0 Sb 121.75 -Sb(3) Sb(OH)3 0.0 Sb -Sb(5) Sb(OH)6- 0.0 Sb -Se SeO4-2 0.0 Se 78.96 -Se(-2) HSe- 0.0 Se -Se(4) HSeO3- 0.0 Se -Se(6) SeO4-2 0.0 Se -Si H4SiO4 0.0 SiO2 28.0843 -Sn Sn(OH)6-2 0.0 Sn 118.71 -Sn(2) Sn(OH)2 0.0 Sn -Sn(4) Sn(OH)6-2 0.0 Sn -Sr Sr+2 0.0 Sr 87.62 -Tl Tl(OH)3 0.0 Tl 204.383 -Tl(1) Tl+ 0.0 Tl -Tl(3) Tl(OH)3 0.0 Tl -U UO2+2 0.0 U 238.029 -U(3) U+3 0.0 U -U(4) U+4 -4.0 U -U(5) UO2+ 0.0 U -U(6) UO2+2 0.0 U -V VO2+ -2.0 V 50.94 -V(2) V+2 0.0 V -V(3) V+3 -3.0 V -V(4) VO+2 0.0 V -V(5) VO2+ -2.0 V -Zn Zn+2 0.0 Zn 65.39 -Benzoate Benzoate- 0.0 121.116 121.116 -Phenylacetate Phenylacetate- 0.0 135.142 135.142 -Isophthalate Isophthalate-2 0.0 164.117 164.117 -Diethylamine Diethylamine 1.0 73.138 73.138 -Butylamine Butylamine 1.0 73.138 73.138 -Methylamine Methylamine 1.0 31.057 31.057 -Dimethylamine Dimethylamine 1.0 45.084 45.084 -Hexylamine Hexylamine 1.0 101.192 101.192 -Ethylenediamine Ethylenediamine 2.0 60.099 60.099 -Propylamine Propylamine 1.0 59.111 59.111 -Isopropylamine Isopropylamine 1.0 59.111 59.111 -Trimethylamine Trimethylamine 1.0 59.111 59.111 -Citrate Citrate-3 2.0 189.102 189.102 -Nta Nta-3 1.0 188.117 188.117 -Edta Edta-4 2.0 288.214 288.214 -Propionate Propionate- 1.0 73.072 73.072 -Butyrate Butyrate- 1.0 87.098 87.098 -Isobutyrate Isobutyrate- 1.0 87.098 87.098 -Two_picoline Two_picoline 1.0 93.128 93.128 -Three_picoline Three_picoline 1.0 93.128 93.128 -Four_picoline Four_picoline 1.0 93.128 93.128 -Formate Formate- 0.0 45.018 45.018 -Isovalerate Isovalerate- 1.0 101.125 101.125 -Valerate Valerate- 1.0 101.125 101.125 -Acetate Acetate- 1.0 59.045 59.045 -Tartarate Tartarate-2 0.0 148.072 148.072 -Glycine Glycine- 1.0 74.059 74.059 -Salicylate Salicylate-2 1.0 136.107 136.107 -Glutamate Glutamate-2 1.0 145.115 145.115 -Phthalate Phthalate-2 1.0 164.117 164.117 +S(6) SO4-2 0 SO4 +Sb Sb(OH)6- 0 Sb 121.75 +Sb(3) Sb(OH)3 0 Sb +Sb(5) Sb(OH)6- 0 Sb +Se SeO4-2 0 Se 78.96 +Se(-2) HSe- 0 Se +Se(4) HSeO3- 0 Se +Se(6) SeO4-2 0 Se +Si H4SiO4 0 SiO2 28.0843 +Sn Sn(OH)6-2 0 Sn 118.71 +Sn(2) Sn(OH)2 0 Sn +Sn(4) Sn(OH)6-2 0 Sn +Sr Sr+2 0 Sr 87.62 +Tl Tl(OH)3 0 Tl 204.383 +Tl(1) Tl+ 0 Tl +Tl(3) Tl(OH)3 0 Tl +U UO2+2 0 U 238.029 +U(3) U+3 0 U +U(4) U+4 -4 U +U(5) UO2+ 0 U +U(6) UO2+2 0 U +V VO2+ -2 V 50.94 +V(2) V+2 0 V +V(3) V+3 -3 V +V(4) VO+2 0 V +V(5) VO2+ -2 V +Zn Zn+2 0 Zn 65.39 +Benzoate Benzoate- 0 121.116 121.116 +Phenylacetate Phenylacetate- 0 135.142 135.142 +Isophthalate Isophthalate-2 0 164.117 164.117 +Diethylamine Diethylamine 1 73.138 73.138 +Butylamine Butylamine 1 73.138 73.138 +Methylamine Methylamine 1 31.057 31.057 +Dimethylamine Dimethylamine 1 45.084 45.084 +Hexylamine Hexylamine 1 101.192 101.192 +Ethylenediamine Ethylenediamine 2 60.099 60.099 +Propylamine Propylamine 1 59.111 59.111 +Isopropylamine Isopropylamine 1 59.111 59.111 +Trimethylamine Trimethylamine 1 59.111 59.111 +Citrate Citrate-3 2 189.102 189.102 +Nta Nta-3 1 188.117 188.117 +Edta Edta-4 2 288.214 288.214 +Propionate Propionate- 1 73.072 73.072 +Butyrate Butyrate- 1 87.098 87.098 +Isobutyrate Isobutyrate- 1 87.098 87.098 +Two_picoline Two_picoline 1 93.128 93.128 +Three_picoline Three_picoline 1 93.128 93.128 +Four_picoline Four_picoline 1 93.128 93.128 +Formate Formate- 0 45.018 45.018 +Isovalerate Isovalerate- 1 101.125 101.125 +Valerate Valerate- 1 101.125 101.125 +Acetate Acetate- 1 59.045 59.045 +Tartarate Tartarate-2 0 148.072 148.072 +Glycine Glycine- 1 74.059 74.059 +Salicylate Salicylate-2 1 136.107 136.107 +Glutamate Glutamate-2 1 145.115 145.115 +Phthalate Phthalate-2 1 164.117 164.117 SOLUTION_SPECIES e- = e- log_k 0 @@ -143,7 +147,7 @@ Br- = Br- log_k 0 CO3-2 = CO3-2 log_k 0 -Cyanide- = Cyanide- +Cyanide- = Cyanide- log_k 0 Dom_a = Dom_a log_k 0 @@ -275,12933 +279,12933 @@ Phthalate-2 = Phthalate-2 log_k 0 SOLUTION_SPECIES Fe+3 + e- = Fe+2 - log_k 13.032 - delta_h -42.7 kJ - -gamma 0 0 + log_k 13.032 + delta_h -42.7 kJ + -gamma 0 0 # Id: 2802810 - # log K source: Bard85 - # Delta H source: Bard85 - #T and ionic strength: -H3AsO4 + 2e- + 2H+ = H3AsO3 + H2O - log_k 18.898 - delta_h -125.6 kJ - -gamma 0 0 + # log K source: Bard85 + # Delta H source: Bard85 + #T and ionic strength: +H3AsO4 + 2 e- + 2 H+ = H3AsO3 + H2O + log_k 18.898 + delta_h -125.6 kJ + -gamma 0 0 # Id: 600610 - # log K source: Bard85 - # Delta H source: MTQ3.11 - #T and ionic strength: -Sb(OH)6- + 2e- + 3H+ = Sb(OH)3 + 3H2O - log_k 24.31 - delta_h 0 kJ - -gamma 0 0 + # log K source: Bard85 + # Delta H source: MTQ3.11 + #T and ionic strength: +Sb(OH)6- + 2 e- + 3 H+ = Sb(OH)3 + 3 H2O + log_k 24.31 + delta_h 0 kJ + -gamma 0 0 # Id: 7407410 - # log K source: Bard85 - # Delta H source: MTQ3.11 - #T and ionic strength: -UO2+2 + 3e- + 4H+ = U+3 + 2H2O - log_k 0.42 - delta_h -42 kJ - -gamma 0 0 + # log K source: Bard85 + # Delta H source: MTQ3.11 + #T and ionic strength: +UO2+2 + 3 e- + 4 H+ = U+3 + 2 H2O + log_k 0.42 + delta_h -42 kJ + -gamma 0 0 # Id: 8908930 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -UO2+2 + 2e- + 4H+ = U+4 + 2H2O - log_k 9.216 - delta_h -144.1 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +UO2+2 + 2 e- + 4 H+ = U+4 + 2 H2O + log_k 9.216 + delta_h -144.1 kJ + -gamma 0 0 # Id: 8918930 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: UO2+2 + e- = UO2+ - log_k 2.785 - delta_h -13.8 kJ - -gamma 0 0 + log_k 2.785 + delta_h -13.8 kJ + -gamma 0 0 # Id: 8928930 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: e- + Mn+3 = Mn+2 - log_k 25.35 - delta_h -107.8 kJ - -gamma 0 0 + log_k 25.35 + delta_h -107.8 kJ + -gamma 0 0 # Id: 4704710 - # log K source: Bard85 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: Bard85 + # Delta H source: MTQ3.11 + #T and ionic strength: Co+3 + e- = Co+2 - log_k 32.4 - delta_h 0 kJ - -gamma 0 0 + log_k 32.4 + delta_h 0 kJ + -gamma 0 0 # Id: 2002010 - # log K source: Bard85 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: Bard85 + # Delta H source: MTQ3.11 + #T and ionic strength: Cu+2 + e- = Cu+ - log_k 2.69 - delta_h 6.9 kJ - -gamma 0 0 + log_k 2.69 + delta_h 6.9 kJ + -gamma 0 0 # Id: 2302310 - # log K source: Bard85 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: Bard85 + # Delta H source: MTQ3.11 + #T and ionic strength: V+3 + e- = V+2 - log_k -4.31 - delta_h 0 kJ - -gamma 0 0 + log_k -4.31 + delta_h 0 kJ + -gamma 0 0 # Id: 9009010 - # log K source: Bard85 - # Delta H source: MTQ3.11 - #T and ionic strength: -VO+2 + e- + 2H+ = V+3 + H2O - log_k 5.696 - delta_h 0 kJ - -gamma 0 0 + # log K source: Bard85 + # Delta H source: MTQ3.11 + #T and ionic strength: +VO+2 + e- + 2 H+ = V+3 + H2O + log_k 5.696 + delta_h 0 kJ + -gamma 0 0 # Id: 9019020 - # log K source: Bard85 - # Delta H source: MTQ3.11 - #T and ionic strength: -VO2+ + e- + 2H+ = VO+2 + H2O - log_k 16.903 - delta_h -122.7 kJ - -gamma 0 0 + # log K source: Bard85 + # Delta H source: MTQ3.11 + #T and ionic strength: +VO2+ + e- + 2 H+ = VO+2 + H2O + log_k 16.903 + delta_h -122.7 kJ + -gamma 0 0 # Id: 9029030 - # log K source: Bard85 - # Delta H source: MTQ3.11 - #T and ionic strength: -SO4-2 + 9H+ + 8e- = HS- + 4H2O - log_k 33.66 - delta_h -60.14 kJ - -gamma 0 0 + # log K source: Bard85 + # Delta H source: MTQ3.11 + #T and ionic strength: +SO4-2 + 9 H+ + 8 e- = HS- + 4 H2O + log_k 33.66 + delta_h -60.14 kJ + -gamma 0 0 # Id: 7307320 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Sn(OH)6-2 + 2e- + 4H+ = Sn(OH)2 + 4H2O - log_k 19.2 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Sn(OH)6-2 + 2 e- + 4 H+ = Sn(OH)2 + 4 H2O + log_k 19.2 + delta_h 0 kJ + -gamma 0 0 # Id: 7907910 - # log K source: Bard85 - # Delta H source: MTQ3.11 - #T and ionic strength: -Tl(OH)3 + 2e- + 3H+ = Tl+ + 3H2O - log_k 45.55 - delta_h 0 kJ - -gamma 0 0 + # log K source: Bard85 + # Delta H source: MTQ3.11 + #T and ionic strength: +Tl(OH)3 + 2 e- + 3 H+ = Tl+ + 3 H2O + log_k 45.55 + delta_h 0 kJ + -gamma 0 0 # Id: 8708710 - # log K source: Bard85 - # Delta H source: MTQ3.11 - #T and ionic strength: -HSeO3- + 6e- + 6H+ = HSe- + 3H2O - log_k 44.86 - delta_h 0 kJ - -gamma 0 0 + # log K source: Bard85 + # Delta H source: MTQ3.11 + #T and ionic strength: +HSeO3- + 6 e- + 6 H+ = HSe- + 3 H2O + log_k 44.86 + delta_h 0 kJ + -gamma 0 0 # Id: 7607610 - # log K source: Bard85 - # Delta H source: MTQ3.11 - #T and ionic strength: -SeO4-2 + 2e- + 3H+ = HSeO3- + H2O - log_k 36.308 - delta_h -201.2 kJ - -gamma 0 0 + # log K source: Bard85 + # Delta H source: MTQ3.11 + #T and ionic strength: +SeO4-2 + 2 e- + 3 H+ = HSeO3- + H2O + log_k 36.308 + delta_h -201.2 kJ + -gamma 0 0 # Id: 7617620 - # log K source: Bard85 - # Delta H source: MTQ3.11 - #T and ionic strength: -0.5Hg2+2 + e- = Hg - log_k 6.5667 - delta_h -45.735 kJ - -gamma 0 0 + # log K source: Bard85 + # Delta H source: MTQ3.11 + #T and ionic strength: +0.5 Hg2+2 + e- = Hg + log_k 6.5667 + delta_h -45.735 kJ + -gamma 0 0 # Id: 3600000 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: -2Hg(OH)2 + 4H+ + 2e- = Hg2+2 + 4H2O - log_k 43.185 - delta_h -63.59 kJ - -gamma 0 0 +2 Hg(OH)2 + 4 H+ + 2 e- = Hg2+2 + 4 H2O + log_k 43.185 + delta_h -63.59 kJ + -gamma 0 0 # Id: 3603610 - # log K source: Bard85 - # Delta H source: MTQ3.11 - #T and ionic strength: -Cr(OH)2+ + 2H+ + e- = Cr+2 + 2H2O - log_k 2.947 - delta_h 6.36 kJ - -gamma 0 0 + # log K source: Bard85 + # Delta H source: MTQ3.11 + #T and ionic strength: +Cr(OH)2+ + 2 H+ + e- = Cr+2 + 2 H2O + log_k 2.947 + delta_h 6.36 kJ + -gamma 0 0 # Id: 2102110 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -CrO4-2 + 6H+ + 3e- = Cr(OH)2+ + 2H2O - log_k 67.376 - delta_h -103 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +CrO4-2 + 6 H+ + 3 e- = Cr(OH)2+ + 2 H2O + log_k 67.376 + delta_h -103 kJ + -gamma 0 0 # Id: 2112120 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: -2H2O = O2 + 4H+ + 4e- +2 H2O = O2 + 4 H+ + 4 e- # Adjusted for equation to aqueous species - log_k -85.9951 - -analytic 38.0229 7.99407E-03 -2.7655e+004 -1.4506e+001 199838.45 + log_k -85.9951 + -analytic 38.0229 7.99407E-3 -2.7655e+4 -1.4506e+1 199838.45 2 H+ + 2 e- = H2 - log_k -3.15 + log_k -3.15 delta_h -1.759 kcal NO3- + 2 H+ + 2 e- = NO2- + H2O - log_k 28.570 - delta_h -43.760 kcal - -gamma 3.0000 0.0000 + log_k 28.57 + delta_h -43.76 kcal + -gamma 3 0 NO3- + 10 H+ + 8 e- = NH4+ + 3 H2O - log_k 119.077 - delta_h -187.055 kcal - -gamma 2.5000 0.0000 + log_k 119.077 + delta_h -187.055 kcal + -gamma 2.5 0 -Mn+2 + 4H2O = MnO4- + 8H+ + 5e- - log_k -127.794 - delta_h 822.67 kJ - -gamma 3 0 +Mn+2 + 4 H2O = MnO4- + 8 H+ + 5 e- + log_k -127.794 + delta_h 822.67 kJ + -gamma 3 0 # Id: 4700020 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: -Mn+2 + 4H2O = MnO4-2 + 8H+ + 4e- - log_k -118.422 - delta_h 711.07 kJ - -gamma 5 0 + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: +Mn+2 + 4 H2O = MnO4-2 + 8 H+ + 4 e- + log_k -118.422 + delta_h 711.07 kJ + -gamma 5 0 # Id: 4700021 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: HS- = S-2 + H+ - log_k -17.3 - delta_h 49.4 kJ - -gamma 5 0 + log_k -17.3 + delta_h 49.4 kJ + -gamma 5 0 # Id: 3307301 - # log K source: LMa1987 - # Delta H source: NIST2.1.1 + # log K source: LMa1987 + # Delta H source: NIST2.1.1 #T and ionic strength: 0.00 25.0 HSe- = Se-2 + H+ - log_k -15 - delta_h 48.116 kJ - -gamma 0 0 + log_k -15 + delta_h 48.116 kJ + -gamma 0 0 # Id: 3307601 - # log K source: SCD3.02 (1968 DKa) - # Delta H source: MTQ3.11 + # log K source: SCD3.02 (1968 DKa) + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Tl(OH)3 + 3H+ = Tl+3 + 3H2O - log_k 3.291 - delta_h 0 kJ - -gamma 0 0 +Tl(OH)3 + 3 H+ = Tl+3 + 3 H2O + log_k 3.291 + delta_h 0 kJ + -gamma 0 0 # Id: 8713300 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -0.5Hg2+2 + e- = Hg - log_k 6.5667 - delta_h -45.735 kJ - -gamma 0 0 +0.5 Hg2+2 + e- = Hg + log_k 6.5667 + delta_h -45.735 kJ + -gamma 0 0 # Id: 3600000 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: -Hg(OH)2 + 2H+ = Hg+2 + 2H2O - log_k 6.194 - delta_h -39.72 kJ - -gamma 0 0 + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: +Hg(OH)2 + 2 H+ = Hg+2 + 2 H2O + log_k 6.194 + delta_h -39.72 kJ + -gamma 0 0 # Id: 3613300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Cr(OH)2+ + 2H+ = Cr+3 + 2H2O - log_k 9.5688 - delta_h -129.62 kJ - -gamma 0 0 +Cr(OH)2+ + 2 H+ = Cr+3 + 2 H2O + log_k 9.5688 + delta_h -129.62 kJ + -gamma 0 0 # Id: 2113300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.10 20.0 H2O = OH- + H+ - log_k -13.997 - delta_h 55.81 kJ - -gamma 3.5 0 + log_k -13.997 + delta_h 55.81 kJ + -gamma 3.5 0 # Id: 3300020 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Sn(OH)2 + 2H+ = Sn+2 + 2H2O - log_k 7.094 - delta_h 0 kJ - -gamma 0 0 +Sn(OH)2 + 2 H+ = Sn+2 + 2 H2O + log_k 7.094 + delta_h 0 kJ + -gamma 0 0 # Id: 7903301 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Sn(OH)2 + H+ = SnOH+ + H2O - log_k 3.697 - delta_h 0 kJ - -gamma 0 0 + log_k 3.697 + delta_h 0 kJ + -gamma 0 0 # Id: 7903302 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Sn(OH)2 + H2O = Sn(OH)3- + H+ - log_k -9.497 - delta_h 0 kJ - -gamma 0 0 + log_k -9.497 + delta_h 0 kJ + -gamma 0 0 # Id: 7903303 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -2Sn(OH)2 + 2H+ = Sn2(OH)2+2 + 2H2O - log_k 9.394 - delta_h 0 kJ - -gamma 0 0 +2 Sn(OH)2 + 2 H+ = Sn2(OH)2+2 + 2 H2O + log_k 9.394 + delta_h 0 kJ + -gamma 0 0 # Id: 7903304 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -3Sn(OH)2 + 2H+ = Sn3(OH)4+2 + 2H2O - log_k 14.394 - delta_h 0 kJ - -gamma 0 0 +3 Sn(OH)2 + 2 H+ = Sn3(OH)4+2 + 2 H2O + log_k 14.394 + delta_h 0 kJ + -gamma 0 0 # Id: 7903305 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Sn(OH)2 = HSnO2- + H+ - log_k -8.9347 - delta_h 0 kJ - -gamma 0 0 + log_k -8.9347 + delta_h 0 kJ + -gamma 0 0 # Id: 7903306 - # log K source: Bard85 - # Delta H source: MTQ3.11 - #T and ionic strength: -Sn(OH)6-2 + 6H+ = Sn+4 + 6H2O - log_k 21.2194 - delta_h 0 kJ - -gamma 0 0 + # log K source: Bard85 + # Delta H source: MTQ3.11 + #T and ionic strength: +Sn(OH)6-2 + 6 H+ = Sn+4 + 6 H2O + log_k 21.2194 + delta_h 0 kJ + -gamma 0 0 # Id: 7913301 - # log K source: Bard85 - # Delta H source: MTQ3.11 - #T and ionic strength: -Sn(OH)6-2 = SnO3-2 + 3H2O - log_k -2.2099 - delta_h 0 kJ - -gamma 0 0 + # log K source: Bard85 + # Delta H source: MTQ3.11 + #T and ionic strength: +Sn(OH)6-2 = SnO3-2 + 3 H2O + log_k -2.2099 + delta_h 0 kJ + -gamma 0 0 # Id: 7913302 - # log K source: Bard85 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: Bard85 + # Delta H source: MTQ3.11 + #T and ionic strength: Pb+2 + H2O = PbOH+ + H+ - log_k -7.597 - delta_h 0 kJ - -gamma 0 0 + log_k -7.597 + delta_h 0 kJ + -gamma 0 0 # Id: 6003300 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Pb+2 + 2H2O = Pb(OH)2 + 2H+ - log_k -17.094 - delta_h 0 kJ - -gamma 0 0 +Pb+2 + 2 H2O = Pb(OH)2 + 2 H+ + log_k -17.094 + delta_h 0 kJ + -gamma 0 0 # Id: 6003301 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Pb+2 + 3H2O = Pb(OH)3- + 3H+ - log_k -28.091 - delta_h 0 kJ - -gamma 0 0 +Pb+2 + 3 H2O = Pb(OH)3- + 3 H+ + log_k -28.091 + delta_h 0 kJ + -gamma 0 0 # Id: 6003302 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -2Pb+2 + H2O = Pb2OH+3 + H+ - log_k -6.397 - delta_h 0 kJ - -gamma 0 0 +2 Pb+2 + H2O = Pb2OH+3 + H+ + log_k -6.397 + delta_h 0 kJ + -gamma 0 0 # Id: 6003303 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -3Pb+2 + 4H2O = Pb3(OH)4+2 + 4H+ - log_k -23.888 - delta_h 115.24 kJ - -gamma 0 0 +3 Pb+2 + 4 H2O = Pb3(OH)4+2 + 4 H+ + log_k -23.888 + delta_h 115.24 kJ + -gamma 0 0 # Id: 6003304 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Pb+2 + 4H2O = Pb(OH)4-2 + 4H+ - log_k -39.699 - delta_h 0 kJ - -gamma 0 0 +Pb+2 + 4 H2O = Pb(OH)4-2 + 4 H+ + log_k -39.699 + delta_h 0 kJ + -gamma 0 0 # Id: 6003305 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -4Pb+2 + 4H2O = Pb4(OH)4+4 + 4H+ - log_k -19.988 - delta_h 88.24 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +4 Pb+2 + 4 H2O = Pb4(OH)4+4 + 4 H+ + log_k -19.988 + delta_h 88.24 kJ + -gamma 0 0 # Id: 6003306 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 H3BO3 + F- = BF(OH)3- - log_k -0.399 - delta_h 7.7404 kJ - -gamma 2.5 0 + log_k -0.399 + delta_h 7.7404 kJ + -gamma 2.5 0 # Id: 902700 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -H3BO3 + 2F- + H+ = BF2(OH)2- + H2O - log_k 7.63 - delta_h 6.8408 kJ - -gamma 2.5 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +H3BO3 + 2 F- + H+ = BF2(OH)2- + H2O + log_k 7.63 + delta_h 6.8408 kJ + -gamma 2.5 0 # Id: 902701 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -H3BO3 + 3F- + 2H+ = BF3OH- + 2H2O - log_k 13.22 - delta_h -20.4897 kJ - -gamma 2.5 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +H3BO3 + 3 F- + 2 H+ = BF3OH- + 2 H2O + log_k 13.22 + delta_h -20.4897 kJ + -gamma 2.5 0 # Id: 902702 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: Al+3 + H2O = AlOH+2 + H+ - log_k -4.997 - delta_h 47.81 kJ - -gamma 5.4 0 + log_k -4.997 + delta_h 47.81 kJ + -gamma 5.4 0 # Id: 303300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Al+3 + 2H2O = Al(OH)2+ + 2H+ - log_k -10.094 - delta_h 0 kJ - -gamma 5.4 0 +Al+3 + 2 H2O = Al(OH)2+ + 2 H+ + log_k -10.094 + delta_h 0 kJ + -gamma 5.4 0 # Id: 303301 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Al+3 + 3H2O = Al(OH)3 + 3H+ - log_k -16.791 - delta_h 0 kJ - -gamma 0 0 +Al+3 + 3 H2O = Al(OH)3 + 3 H+ + log_k -16.791 + delta_h 0 kJ + -gamma 0 0 # Id: 303303 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Al+3 + 4H2O = Al(OH)4- + 4H+ - log_k -22.688 - delta_h 173.24 kJ - -gamma 4.5 0 +Al+3 + 4 H2O = Al(OH)4- + 4 H+ + log_k -22.688 + delta_h 173.24 kJ + -gamma 4.5 0 # Id: 303302 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Tl+ + H2O = TlOH + H+ - log_k -13.207 - delta_h 56.81 kJ - -gamma 0 0 + log_k -13.207 + delta_h 56.81 kJ + -gamma 0 0 # Id: 8703300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Tl(OH)3 + 2H+ = TlOH+2 + 2H2O - log_k 2.694 - delta_h 0 kJ - -gamma 0 0 +Tl(OH)3 + 2 H+ = TlOH+2 + 2 H2O + log_k 2.694 + delta_h 0 kJ + -gamma 0 0 # Id: 8713301 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Tl(OH)3 + H+ = Tl(OH)2+ + H2O - log_k 1.897 - delta_h 0 kJ - -gamma 0 0 + log_k 1.897 + delta_h 0 kJ + -gamma 0 0 # Id: 8713302 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Tl(OH)3 + H2O = Tl(OH)4- + H+ - log_k -11.697 - delta_h 0 kJ - -gamma 0 0 + log_k -11.697 + delta_h 0 kJ + -gamma 0 0 # Id: 8713303 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Zn+2 + H2O = ZnOH+ + H+ - log_k -8.997 - delta_h 55.81 kJ - -gamma 0 0 + log_k -8.997 + delta_h 55.81 kJ + -gamma 0 0 # Id: 9503300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Zn+2 + 2H2O = Zn(OH)2 + 2H+ - log_k -17.794 - delta_h 0 kJ - -gamma 0 0 +Zn+2 + 2 H2O = Zn(OH)2 + 2 H+ + log_k -17.794 + delta_h 0 kJ + -gamma 0 0 # Id: 9503301 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Zn+2 + 3H2O = Zn(OH)3- + 3H+ - log_k -28.091 - delta_h 0 kJ - -gamma 0 0 +Zn+2 + 3 H2O = Zn(OH)3- + 3 H+ + log_k -28.091 + delta_h 0 kJ + -gamma 0 0 # Id: 9503302 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Zn+2 + 4H2O = Zn(OH)4-2 + 4H+ - log_k -40.488 - delta_h 0 kJ - -gamma 0 0 +Zn+2 + 4 H2O = Zn(OH)4-2 + 4 H+ + log_k -40.488 + delta_h 0 kJ + -gamma 0 0 # Id: 9503303 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Cd+2 + H2O = CdOH+ + H+ - log_k -10.097 - delta_h 54.81 kJ - -gamma 0 0 + log_k -10.097 + delta_h 54.81 kJ + -gamma 0 0 # Id: 1603300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Cd+2 + 2H2O = Cd(OH)2 + 2H+ - log_k -20.294 - delta_h 0 kJ - -gamma 0 0 +Cd+2 + 2 H2O = Cd(OH)2 + 2 H+ + log_k -20.294 + delta_h 0 kJ + -gamma 0 0 # Id: 1603301 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Cd+2 + 3H2O = Cd(OH)3- + 3H+ - log_k -32.505 - delta_h 0 kJ - -gamma 0 0 +Cd+2 + 3 H2O = Cd(OH)3- + 3 H+ + log_k -32.505 + delta_h 0 kJ + -gamma 0 0 # Id: 1603302 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 3.00 25.0 -Cd+2 + 4H2O = Cd(OH)4-2 + 4H+ - log_k -47.288 - delta_h 0 kJ - -gamma 0 0 +Cd+2 + 4 H2O = Cd(OH)4-2 + 4 H+ + log_k -47.288 + delta_h 0 kJ + -gamma 0 0 # Id: 1603303 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -2Cd+2 + H2O = Cd2OH+3 + H+ - log_k -9.397 - delta_h 45.81 kJ - -gamma 0 0 +2 Cd+2 + H2O = Cd2OH+3 + H+ + log_k -9.397 + delta_h 45.81 kJ + -gamma 0 0 # Id: 1603304 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Hg(OH)2 + H+ = HgOH+ + H2O - log_k 2.797 - delta_h -18.91 kJ - -gamma 0 0 + log_k 2.797 + delta_h -18.91 kJ + -gamma 0 0 # Id: 3613302 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Hg(OH)2 + H2O = Hg(OH)3- + H+ - log_k -14.897 - delta_h 0 kJ - -gamma 0 0 + log_k -14.897 + delta_h 0 kJ + -gamma 0 0 # Id: 3613303 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Cu+2 + H2O = CuOH+ + H+ - log_k -7.497 - delta_h 35.81 kJ - -gamma 4 0 + log_k -7.497 + delta_h 35.81 kJ + -gamma 4 0 # Id: 2313300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Cu+2 + 2H2O = Cu(OH)2 + 2H+ - log_k -16.194 - delta_h 0 kJ - -gamma 0 0 +Cu+2 + 2 H2O = Cu(OH)2 + 2 H+ + log_k -16.194 + delta_h 0 kJ + -gamma 0 0 # Id: 2313301 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Cu+2 + 3H2O = Cu(OH)3- + 3H+ - log_k -26.879 - delta_h 0 kJ - -gamma 0 0 +Cu+2 + 3 H2O = Cu(OH)3- + 3 H+ + log_k -26.879 + delta_h 0 kJ + -gamma 0 0 # Id: 2313302 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -Cu+2 + 4H2O = Cu(OH)4-2 + 4H+ - log_k -39.98 - delta_h 0 kJ - -gamma 0 0 +Cu+2 + 4 H2O = Cu(OH)4-2 + 4 H+ + log_k -39.98 + delta_h 0 kJ + -gamma 0 0 # Id: 2313303 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -2Cu+2 + 2H2O = Cu2(OH)2+2 + 2H+ - log_k -10.594 - delta_h 76.62 kJ - -gamma 0 0 +2 Cu+2 + 2 H2O = Cu2(OH)2+2 + 2 H+ + log_k -10.594 + delta_h 76.62 kJ + -gamma 0 0 # Id: 2313304 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Ag+ + H2O = AgOH + H+ - log_k -11.997 - delta_h 0 kJ - -gamma 0 0 + log_k -11.997 + delta_h 0 kJ + -gamma 0 0 # Id: 203300 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Ag+ + 2H2O = Ag(OH)2- + 2H+ - log_k -24.004 - delta_h 0 kJ - -gamma 0 0 +Ag+ + 2 H2O = Ag(OH)2- + 2 H+ + log_k -24.004 + delta_h 0 kJ + -gamma 0 0 # Id: 203301 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Ni+2 + H2O = NiOH+ + H+ - log_k -9.897 - delta_h 51.81 kJ - -gamma 0 0 + log_k -9.897 + delta_h 51.81 kJ + -gamma 0 0 # Id: 5403300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Ni+2 + 2H2O = Ni(OH)2 + 2H+ - log_k -18.994 - delta_h 0 kJ - -gamma 0 0 +Ni+2 + 2 H2O = Ni(OH)2 + 2 H+ + log_k -18.994 + delta_h 0 kJ + -gamma 0 0 # Id: 5403301 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Ni+2 + 3H2O = Ni(OH)3- + 3H+ - log_k -29.991 - delta_h 0 kJ - -gamma 0 0 +Ni+2 + 3 H2O = Ni(OH)3- + 3 H+ + log_k -29.991 + delta_h 0 kJ + -gamma 0 0 # Id: 5403302 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Co+2 + H2O = CoOH+ + H+ - log_k -9.697 - delta_h 0 kJ - -gamma 0 0 + log_k -9.697 + delta_h 0 kJ + -gamma 0 0 # Id: 2003300 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Co+2 + 2H2O = Co(OH)2 + 2H+ - log_k -18.794 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 2 H2O = Co(OH)2 + 2 H+ + log_k -18.794 + delta_h 0 kJ + -gamma 0 0 # Id: 2003301 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Co+2 + 3H2O = Co(OH)3- + 3H+ - log_k -31.491 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 3 H2O = Co(OH)3- + 3 H+ + log_k -31.491 + delta_h 0 kJ + -gamma 0 0 # Id: 2003302 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Co+2 + 4H2O = Co(OH)4-2 + 4H+ - log_k -46.288 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 4 H2O = Co(OH)4-2 + 4 H+ + log_k -46.288 + delta_h 0 kJ + -gamma 0 0 # Id: 2003303 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -2Co+2 + H2O = Co2OH+3 + H+ - log_k -10.997 - delta_h 0 kJ - -gamma 0 0 +2 Co+2 + H2O = Co2OH+3 + H+ + log_k -10.997 + delta_h 0 kJ + -gamma 0 0 # Id: 2003304 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -4Co+2 + 4H2O = Co4(OH)4+4 + 4H+ - log_k -30.488 - delta_h 0 kJ - -gamma 0 0 +4 Co+2 + 4 H2O = Co4(OH)4+4 + 4 H+ + log_k -30.488 + delta_h 0 kJ + -gamma 0 0 # Id: 2003306 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Co+2 + 2H2O = CoOOH- + 3H+ - log_k -32.0915 - delta_h 260.454 kJ - -gamma 0 0 +Co+2 + 2 H2O = CoOOH- + 3 H+ + log_k -32.0915 + delta_h 260.454 kJ + -gamma 0 0 # Id: 2003305 - # log K source: NIST2.1.1 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: NIST2.1.1 + # Delta H source: MTQ3.11 + #T and ionic strength: Co+3 + H2O = CoOH+2 + H+ - log_k -1.291 - delta_h 0 kJ - -gamma 0 0 + log_k -1.291 + delta_h 0 kJ + -gamma 0 0 # Id: 2013300 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 3.00 25.0 Fe+2 + H2O = FeOH+ + H+ - log_k -9.397 - delta_h 55.81 kJ - -gamma 5 0 + log_k -9.397 + delta_h 55.81 kJ + -gamma 5 0 # Id: 2803300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Fe+2 + 2H2O = Fe(OH)2 + 2H+ - log_k -20.494 - delta_h 119.62 kJ - -gamma 0 0 +Fe+2 + 2 H2O = Fe(OH)2 + 2 H+ + log_k -20.494 + delta_h 119.62 kJ + -gamma 0 0 # Id: 2803302 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Fe+2 + 3H2O = Fe(OH)3- + 3H+ - log_k -28.991 - delta_h 126.43 kJ - -gamma 5 0 +Fe+2 + 3 H2O = Fe(OH)3- + 3 H+ + log_k -28.991 + delta_h 126.43 kJ + -gamma 5 0 # Id: 2803301 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Fe+3 + H2O = FeOH+2 + H+ - log_k -2.187 - delta_h 41.81 kJ - -gamma 5 0 + log_k -2.187 + delta_h 41.81 kJ + -gamma 5 0 # Id: 2813300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Fe+3 + 2H2O = Fe(OH)2+ + 2H+ - log_k -4.594 - delta_h 0 kJ - -gamma 5.4 0 +Fe+3 + 2 H2O = Fe(OH)2+ + 2 H+ + log_k -4.594 + delta_h 0 kJ + -gamma 5.4 0 # Id: 2813301 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Fe+3 + 3H2O = Fe(OH)3 + 3H+ - log_k -12.56 - delta_h 103.8 kJ - -gamma 0 0 +Fe+3 + 3 H2O = Fe(OH)3 + 3 H+ + log_k -12.56 + delta_h 103.8 kJ + -gamma 0 0 # Id: 2813302 - # log K source: Nord90 - # Delta H source: Nord90 + # log K source: Nord90 + # Delta H source: Nord90 #T and ionic strength: 0.00 25.0 -Fe+3 + 4H2O = Fe(OH)4- + 4H+ - log_k -21.588 - delta_h 0 kJ - -gamma 5.4 0 +Fe+3 + 4 H2O = Fe(OH)4- + 4 H+ + log_k -21.588 + delta_h 0 kJ + -gamma 5.4 0 # Id: 2813303 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -2Fe+3 + 2H2O = Fe2(OH)2+4 + 2H+ - log_k -2.854 - delta_h 57.62 kJ - -gamma 0 0 +2 Fe+3 + 2 H2O = Fe2(OH)2+4 + 2 H+ + log_k -2.854 + delta_h 57.62 kJ + -gamma 0 0 # Id: 2813304 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -3Fe+3 + 4H2O = Fe3(OH)4+5 + 4H+ - log_k -6.288 - delta_h 65.24 kJ - -gamma 0 0 +3 Fe+3 + 4 H2O = Fe3(OH)4+5 + 4 H+ + log_k -6.288 + delta_h 65.24 kJ + -gamma 0 0 # Id: 2813305 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Mn+2 + H2O = MnOH+ + H+ - log_k -10.597 - delta_h 55.81 kJ - -gamma 5 0 + log_k -10.597 + delta_h 55.81 kJ + -gamma 5 0 # Id: 4703300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Mn+2 + 3H2O = Mn(OH)3- + 3H+ - log_k -34.8 - delta_h 0 kJ - -gamma 5 0 +Mn+2 + 3 H2O = Mn(OH)3- + 3 H+ + log_k -34.8 + delta_h 0 kJ + -gamma 5 0 # Id: 4703301 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Mn+2 + 4H2O = Mn(OH)4-2 + 4H+ - log_k -48.288 - delta_h 0 kJ - -gamma 5 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Mn+2 + 4 H2O = Mn(OH)4-2 + 4 H+ + log_k -48.288 + delta_h 0 kJ + -gamma 5 0 # Id: 4703302 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Mn+2 + 4H2O = MnO4- + 8H+ + 5e- - log_k -127.794 - delta_h 822.67 kJ - -gamma 3 0 +Mn+2 + 4 H2O = MnO4- + 8 H+ + 5 e- + log_k -127.794 + delta_h 822.67 kJ + -gamma 3 0 # Id: 4700020 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: -Mn+2 + 4H2O = MnO4-2 + 8H+ + 4e- - log_k -118.422 - delta_h 711.07 kJ - -gamma 5 0 + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: +Mn+2 + 4 H2O = MnO4-2 + 8 H+ + 4 e- + log_k -118.422 + delta_h 711.07 kJ + -gamma 5 0 # Id: 4700021 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: Cr(OH)2+ + H+ = Cr(OH)+2 + H2O - log_k 5.9118 - delta_h -77.91 kJ - -gamma 0 0 + log_k 5.9118 + delta_h -77.91 kJ + -gamma 0 0 # Id: 2113301 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Cr(OH)2+ + H2O = Cr(OH)3 + H+ - log_k -8.4222 - delta_h 0 kJ - -gamma 0 0 + log_k -8.4222 + delta_h 0 kJ + -gamma 0 0 # Id: 2113302 - # log K source: SCD3.02 (1983 RCa) - # Delta H source: MTQ3.11 + # log K source: SCD3.02 (1983 RCa) + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Cr(OH)2+ + 2H2O = Cr(OH)4- + 2H+ - log_k -17.8192 - delta_h 0 kJ - -gamma 0 0 +Cr(OH)2+ + 2 H2O = Cr(OH)4- + 2 H+ + log_k -17.8192 + delta_h 0 kJ + -gamma 0 0 # Id: 2113303 - # log K source: SCD3.02 (1983 RCa) - # Delta H source: MTQ3.11 + # log K source: SCD3.02 (1983 RCa) + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Cr(OH)2+ = CrO2- + 2H+ - log_k -17.7456 - delta_h 0 kJ - -gamma 0 0 +Cr(OH)2+ = CrO2- + 2 H+ + log_k -17.7456 + delta_h 0 kJ + -gamma 0 0 # Id: 2113304 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: V+2 + H2O = VOH+ + H+ - log_k -6.487 - delta_h 59.81 kJ - -gamma 0 0 + log_k -6.487 + delta_h 59.81 kJ + -gamma 0 0 # Id: 9003300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 V+3 + H2O = VOH+2 + H+ - log_k -2.297 - delta_h 43.81 kJ - -gamma 0 0 + log_k -2.297 + delta_h 43.81 kJ + -gamma 0 0 # Id: 9013300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -V+3 + 2H2O = V(OH)2+ + 2H+ - log_k -6.274 - delta_h 0 kJ - -gamma 0 0 +V+3 + 2 H2O = V(OH)2+ + 2 H+ + log_k -6.274 + delta_h 0 kJ + -gamma 0 0 # Id: 9013301 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 20.0 -V+3 + 3H2O = V(OH)3 + 3H+ - log_k -3.0843 - delta_h 0 kJ - -gamma 0 0 +V+3 + 3 H2O = V(OH)3 + 3 H+ + log_k -3.0843 + delta_h 0 kJ + -gamma 0 0 # Id: 9013302 - # log K source: SCD3.02 (1978 TKa) - # Delta H source: MTQ3.11 + # log K source: SCD3.02 (1978 TKa) + # Delta H source: MTQ3.11 #T and ionic strength: 0.10 20.0 -2V+3 + 2H2O = V2(OH)2+4 + 2H+ - log_k -3.794 - delta_h 0 kJ - -gamma 0 0 +2 V+3 + 2 H2O = V2(OH)2+4 + 2 H+ + log_k -3.794 + delta_h 0 kJ + -gamma 0 0 # Id: 9013304 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -2V+3 + 3H2O = V2(OH)3+3 + 3H+ - log_k -10.1191 - delta_h 0 kJ - -gamma 0 0 +2 V+3 + 3 H2O = V2(OH)3+3 + 3 H+ + log_k -10.1191 + delta_h 0 kJ + -gamma 0 0 # Id: 9013303 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 3.00 25.0 -VO+2 + 2H2O = V(OH)3+ + H+ - log_k -5.697 - delta_h 0 kJ - -gamma 0 0 +VO+2 + 2 H2O = V(OH)3+ + H+ + log_k -5.697 + delta_h 0 kJ + -gamma 0 0 # Id: 9023300 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -2VO+2 + 2H2O = H2V2O4+2 + 2H+ - log_k -6.694 - delta_h 53.62 kJ - -gamma 0 0 +2 VO+2 + 2 H2O = H2V2O4+2 + 2 H+ + log_k -6.694 + delta_h 53.62 kJ + -gamma 0 0 # Id: 9023301 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 U+4 + H2O = UOH+3 + H+ - log_k -0.597 - delta_h 47.81 kJ - -gamma 0 0 + log_k -0.597 + delta_h 47.81 kJ + -gamma 0 0 # Id: 8913300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -U+4 + 2H2O = U(OH)2+2 + 2H+ - log_k -2.27 - delta_h 74.1823 kJ - -gamma 0 0 +U+4 + 2 H2O = U(OH)2+2 + 2 H+ + log_k -2.27 + delta_h 74.1823 kJ + -gamma 0 0 # Id: 8913301 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -U+4 + 3H2O = U(OH)3+ + 3H+ - log_k -4.935 - delta_h 94.7467 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +U+4 + 3 H2O = U(OH)3+ + 3 H+ + log_k -4.935 + delta_h 94.7467 kJ + -gamma 0 0 # Id: 8913302 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -U+4 + 4H2O = U(OH)4 + 4H+ - log_k -8.498 - delta_h 103.596 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +U+4 + 4 H2O = U(OH)4 + 4 H+ + log_k -8.498 + delta_h 103.596 kJ + -gamma 0 0 # Id: 8913303 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -U+4 + 5H2O = U(OH)5- + 5H+ - log_k -13.12 - delta_h 115.374 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +U+4 + 5 H2O = U(OH)5- + 5 H+ + log_k -13.12 + delta_h 115.374 kJ + -gamma 0 0 # Id: 8913304 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -6U+4 + 15H2O = U6(OH)15+9 + 15H+ - log_k -17.155 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +6 U+4 + 15 H2O = U6(OH)15+9 + 15 H+ + log_k -17.155 + delta_h 0 kJ + -gamma 0 0 # Id: 8913305 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 UO2+2 + H2O = UO2OH+ + H+ - log_k -5.897 - delta_h 47.81 kJ - -gamma 0 0 + log_k -5.897 + delta_h 47.81 kJ + -gamma 0 0 # Id: 8933300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -2UO2+2 + 2H2O = (UO2)2(OH)2+2 + 2H+ - log_k -5.574 - delta_h 41.82 kJ - -gamma 0 0 +2 UO2+2 + 2 H2O = (UO2)2(OH)2+2 + 2 H+ + log_k -5.574 + delta_h 41.82 kJ + -gamma 0 0 # Id: 8933301 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -3UO2+2 + 5H2O = (UO2)3(OH)5+ + 5H+ - log_k -15.585 - delta_h 108.05 kJ - -gamma 0 0 +3 UO2+2 + 5 H2O = (UO2)3(OH)5+ + 5 H+ + log_k -15.585 + delta_h 108.05 kJ + -gamma 0 0 # Id: 8933302 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Be+2 + H2O = BeOH+ + H+ - log_k -5.397 - delta_h 0 kJ - -gamma 6.5 0 + log_k -5.397 + delta_h 0 kJ + -gamma 6.5 0 # Id: 1103301 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Be+2 + 2H2O = Be(OH)2 + 2H+ - log_k -13.594 - delta_h 0 kJ - -gamma 6.5 0 +Be+2 + 2 H2O = Be(OH)2 + 2 H+ + log_k -13.594 + delta_h 0 kJ + -gamma 6.5 0 # Id: 1103302 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Be+2 + 3H2O = Be(OH)3- + 3H+ - log_k -23.191 - delta_h 0 kJ - -gamma 6.5 0 +Be+2 + 3 H2O = Be(OH)3- + 3 H+ + log_k -23.191 + delta_h 0 kJ + -gamma 6.5 0 # Id: 1103303 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Be+2 + 4H2O = Be(OH)4-2 + 4H+ - log_k -37.388 - delta_h 0 kJ - -gamma 6.5 0 +Be+2 + 4 H2O = Be(OH)4-2 + 4 H+ + log_k -37.388 + delta_h 0 kJ + -gamma 6.5 0 # Id: 1103304 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -2Be+2 + H2O = Be2OH+3 + H+ - log_k -3.177 - delta_h 0 kJ - -gamma 6.5 0 +2 Be+2 + H2O = Be2OH+3 + H+ + log_k -3.177 + delta_h 0 kJ + -gamma 6.5 0 # Id: 1103305 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.10 25.0 -3Be+2 + 3H2O = Be3(OH)3+3 + 3H+ - log_k -8.8076 - delta_h 0 kJ - -gamma 6.5 0 +3 Be+2 + 3 H2O = Be3(OH)3+3 + 3 H+ + log_k -8.8076 + delta_h 0 kJ + -gamma 6.5 0 # Id: 1103306 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.10 25.0 Mg+2 + H2O = MgOH+ + H+ - log_k -11.397 - delta_h 67.81 kJ - -gamma 6.5 0 + log_k -11.397 + delta_h 67.81 kJ + -gamma 6.5 0 # Id: 4603300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Ca+2 + H2O = CaOH+ + H+ - log_k -12.697 - delta_h 64.11 kJ - -gamma 6 0 + log_k -12.697 + delta_h 64.11 kJ + -gamma 6 0 # Id: 1503300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Sr+2 + H2O = SrOH+ + H+ - log_k -13.177 - delta_h 60.81 kJ - -gamma 5 0 + log_k -13.177 + delta_h 60.81 kJ + -gamma 5 0 # Id: 8003300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Ba+2 + H2O = BaOH+ + H+ - log_k -13.357 - delta_h 60.81 kJ - -gamma 5 0 + log_k -13.357 + delta_h 60.81 kJ + -gamma 5 0 # Id: 1003300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 H+ + F- = HF - log_k 3.17 - delta_h 13.3 kJ - -gamma 0 0 + log_k 3.17 + delta_h 13.3 kJ + -gamma 0 0 # Id: 3302700 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -H+ + 2F- = HF2- - log_k 3.75 - delta_h 17.4 kJ - -gamma 3.5 0 +H+ + 2 F- = HF2- + log_k 3.75 + delta_h 17.4 kJ + -gamma 3.5 0 # Id: 3302701 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -2F- + 2H+ = H2F2 - log_k 6.768 - delta_h 0 kJ - -gamma 0 0 +2 F- + 2 H+ = H2F2 + log_k 6.768 + delta_h 0 kJ + -gamma 0 0 # Id: 3302702 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Sb(OH)3 + F- + H+ = SbOF + 2H2O - log_k 6.1864 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Sb(OH)3 + F- + H+ = SbOF + 2 H2O + log_k 6.1864 + delta_h 0 kJ + -gamma 0 0 # Id: 7402700 - # log K source: PNL89 - # Delta H source: PNL89 - #T and ionic strength: + # log K source: PNL89 + # Delta H source: PNL89 + #T and ionic strength: Sb(OH)3 + F- + H+ = Sb(OH)2F + H2O - log_k 6.1937 - delta_h 0 kJ - -gamma 0 0 + log_k 6.1937 + delta_h 0 kJ + -gamma 0 0 # Id: 7402702 - # log K source: PNL89 - # Delta H source: PNL89 - #T and ionic strength: -H4SiO4 + 4H+ + 6F- = SiF6-2 + 4H2O - log_k 30.18 - delta_h -68 kJ - -gamma 5 0 + # log K source: PNL89 + # Delta H source: PNL89 + #T and ionic strength: +H4SiO4 + 4 H+ + 6 F- = SiF6-2 + 4 H2O + log_k 30.18 + delta_h -68 kJ + -gamma 5 0 # Id: 7702700 - # log K source: Nord90 - # Delta H source: Nord90 + # log K source: Nord90 + # Delta H source: Nord90 #T and ionic strength: 0.00 25.0 -Sn(OH)2 + 2H+ + F- = SnF+ + 2H2O - log_k 11.582 - delta_h 0 kJ - -gamma 0 0 +Sn(OH)2 + 2 H+ + F- = SnF+ + 2 H2O + log_k 11.582 + delta_h 0 kJ + -gamma 0 0 # Id: 7902701 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -Sn(OH)2 + 2H+ + 2F- = SnF2 + 2H2O - log_k 14.386 - delta_h 0 kJ - -gamma 0 0 +Sn(OH)2 + 2 H+ + 2 F- = SnF2 + 2 H2O + log_k 14.386 + delta_h 0 kJ + -gamma 0 0 # Id: 7902702 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -Sn(OH)2 + 2H+ + 3F- = SnF3- + 2H2O - log_k 17.206 - delta_h 0 kJ - -gamma 0 0 +Sn(OH)2 + 2 H+ + 3 F- = SnF3- + 2 H2O + log_k 17.206 + delta_h 0 kJ + -gamma 0 0 # Id: 7902703 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -Sn(OH)6-2 + 6H+ + 6F- = SnF6-2 + 6H2O - log_k 33.5844 - delta_h 0 kJ - -gamma 0 0 +Sn(OH)6-2 + 6 H+ + 6 F- = SnF6-2 + 6 H2O + log_k 33.5844 + delta_h 0 kJ + -gamma 0 0 # Id: 7912701 - # log K source: Bard85 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: Bard85 + # Delta H source: MTQ3.11 + #T and ionic strength: Pb+2 + F- = PbF+ - log_k 1.848 - delta_h 0 kJ - -gamma 0 0 + log_k 1.848 + delta_h 0 kJ + -gamma 0 0 # Id: 6002700 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -Pb+2 + 2F- = PbF2 - log_k 3.142 - delta_h 0 kJ - -gamma 0 0 +Pb+2 + 2 F- = PbF2 + log_k 3.142 + delta_h 0 kJ + -gamma 0 0 # Id: 6002701 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -Pb+2 + 3F- = PbF3- - log_k 3.42 - delta_h 0 kJ - -gamma 0 0 +Pb+2 + 3 F- = PbF3- + log_k 3.42 + delta_h 0 kJ + -gamma 0 0 # Id: 6002702 - # log K source: SCD3.02 (1956 TKa) - # Delta H source: MTQ3.11 + # log K source: SCD3.02 (1956 TKa) + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Pb+2 + 4F- = PbF4-2 - log_k 3.1 - delta_h 0 kJ - -gamma 0 0 +Pb+2 + 4 F- = PbF4-2 + log_k 3.1 + delta_h 0 kJ + -gamma 0 0 # Id: 6002703 - # log K source: SCD3.02 (1956 TKa) - # Delta H source: MTQ3.11 + # log K source: SCD3.02 (1956 TKa) + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -H3BO3 + 3H+ + 4F- = BF4- + 3H2O - log_k 19.912 - delta_h -18.67 kJ - -gamma 2.5 0 +H3BO3 + 3 H+ + 4 F- = BF4- + 3 H2O + log_k 19.912 + delta_h -18.67 kJ + -gamma 2.5 0 # Id: 902703 - # log K source: NIST46.3 - # Delta H source: NIST2.1.1 + # log K source: NIST46.3 + # Delta H source: NIST2.1.1 #T and ionic strength: 1.00 25.0 Al+3 + F- = AlF+2 - log_k 7 - delta_h 4.6 kJ - -gamma 5.4 0 + log_k 7 + delta_h 4.6 kJ + -gamma 5.4 0 # Id: 302700 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Al+3 + 2F- = AlF2+ - log_k 12.6 - delta_h 8.3 kJ - -gamma 5.4 0 +Al+3 + 2 F- = AlF2+ + log_k 12.6 + delta_h 8.3 kJ + -gamma 5.4 0 # Id: 302701 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Al+3 + 3F- = AlF3 - log_k 16.7 - delta_h 8.7 kJ - -gamma 0 0 +Al+3 + 3 F- = AlF3 + log_k 16.7 + delta_h 8.7 kJ + -gamma 0 0 # Id: 302702 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Al+3 + 4F- = AlF4- - log_k 19.4 - delta_h 8.7 kJ - -gamma 4.5 0 +Al+3 + 4 F- = AlF4- + log_k 19.4 + delta_h 8.7 kJ + -gamma 4.5 0 # Id: 302703 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Tl+ + F- = TlF - log_k 0.1 - delta_h 0 kJ - -gamma 0 0 + log_k 0.1 + delta_h 0 kJ + -gamma 0 0 # Id: 8702700 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Zn+2 + F- = ZnF+ - log_k 1.3 - delta_h 11 kJ - -gamma 0 0 + log_k 1.3 + delta_h 11 kJ + -gamma 0 0 # Id: 9502700 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Cd+2 + F- = CdF+ - log_k 1.2 - delta_h 5 kJ - -gamma 0 0 + log_k 1.2 + delta_h 5 kJ + -gamma 0 0 # Id: 1602700 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Cd+2 + 2F- = CdF2 - log_k 1.5 - delta_h 0 kJ - -gamma 0 0 +Cd+2 + 2 F- = CdF2 + log_k 1.5 + delta_h 0 kJ + -gamma 0 0 # Id: 1602701 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Hg(OH)2 + 2H+ + F- = HgF+ + 2H2O - log_k 7.763 - delta_h -35.72 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Hg(OH)2 + 2 H+ + F- = HgF+ + 2 H2O + log_k 7.763 + delta_h -35.72 kJ + -gamma 0 0 # Id: 3612701 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.50 25.0 Cu+2 + F- = CuF+ - log_k 1.8 - delta_h 13 kJ - -gamma 0 0 + log_k 1.8 + delta_h 13 kJ + -gamma 0 0 # Id: 2312700 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Ag+ + F- = AgF - log_k 0.4 - delta_h 12 kJ - -gamma 0 0 + log_k 0.4 + delta_h 12 kJ + -gamma 0 0 # Id: 202700 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Ni+2 + F- = NiF+ - log_k 1.4 - delta_h 7.1 kJ - -gamma 0 0 + log_k 1.4 + delta_h 7.1 kJ + -gamma 0 0 # Id: 5402700 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Co+2 + F- = CoF+ - log_k 1.5 - delta_h 9.2 kJ - -gamma 0 0 + log_k 1.5 + delta_h 9.2 kJ + -gamma 0 0 # Id: 2002700 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Fe+3 + F- = FeF+2 - log_k 6.04 - delta_h 10 kJ - -gamma 5 0 + log_k 6.04 + delta_h 10 kJ + -gamma 5 0 # Id: 2812700 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Fe+3 + 2F- = FeF2+ - log_k 10.4675 - delta_h 17 kJ - -gamma 5 0 +Fe+3 + 2 F- = FeF2+ + log_k 10.4675 + delta_h 17 kJ + -gamma 5 0 # Id: 2812701 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.50 25.0 -Fe+3 + 3F- = FeF3 - log_k 13.617 - delta_h 29 kJ - -gamma 0 0 +Fe+3 + 3 F- = FeF3 + log_k 13.617 + delta_h 29 kJ + -gamma 0 0 # Id: 2812702 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.50 25.0 Mn+2 + F- = MnF+ - log_k 1.6 - delta_h 11 kJ - -gamma 5 0 + log_k 1.6 + delta_h 11 kJ + -gamma 5 0 # Id: 4702700 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Cr(OH)2+ + 2H+ + F- = CrF+2 + 2H2O - log_k 14.7688 - delta_h -70.2452 kJ - -gamma 0 0 +Cr(OH)2+ + 2 H+ + F- = CrF+2 + 2 H2O + log_k 14.7688 + delta_h -70.2452 kJ + -gamma 0 0 # Id: 2112700 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 VO+2 + F- = VOF+ - log_k 3.778 - delta_h 7.9 kJ - -gamma 0 0 + log_k 3.778 + delta_h 7.9 kJ + -gamma 0 0 # Id: 9022700 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 1.00 25.0 -VO+2 + 2F- = VOF2 - log_k 6.352 - delta_h 14 kJ - -gamma 0 0 +VO+2 + 2 F- = VOF2 + log_k 6.352 + delta_h 14 kJ + -gamma 0 0 # Id: 9022701 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 1.00 25.0 -VO+2 + 3F- = VOF3- - log_k 7.902 - delta_h 20 kJ - -gamma 0 0 +VO+2 + 3 F- = VOF3- + log_k 7.902 + delta_h 20 kJ + -gamma 0 0 # Id: 9022702 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 1.00 25.0 -VO+2 + 4F- = VOF4-2 - log_k 8.508 - delta_h 26 kJ - -gamma 0 0 +VO+2 + 4 F- = VOF4-2 + log_k 8.508 + delta_h 26 kJ + -gamma 0 0 # Id: 9022703 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 1.00 25.0 VO2+ + F- = VO2F - log_k 3.244 - delta_h 0 kJ - -gamma 0 0 + log_k 3.244 + delta_h 0 kJ + -gamma 0 0 # Id: 9032700 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -VO2+ + 2F- = VO2F2- - log_k 5.804 - delta_h 0 kJ - -gamma 0 0 +VO2+ + 2 F- = VO2F2- + log_k 5.804 + delta_h 0 kJ + -gamma 0 0 # Id: 9032701 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 20.0 -VO2+ + 3F- = VO2F3-2 - log_k 6.9 - delta_h 0 kJ - -gamma 0 0 +VO2+ + 3 F- = VO2F3-2 + log_k 6.9 + delta_h 0 kJ + -gamma 0 0 # Id: 9032702 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 20.0 -VO2+ + 4F- = VO2F4-3 - log_k 6.592 - delta_h 0 kJ - -gamma 0 0 +VO2+ + 4 F- = VO2F4-3 + log_k 6.592 + delta_h 0 kJ + -gamma 0 0 # Id: 9032703 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 20.0 U+4 + F- = UF+3 - log_k 9.3 - delta_h 21.1292 kJ - -gamma 0 0 + log_k 9.3 + delta_h 21.1292 kJ + -gamma 0 0 # Id: 8912700 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -U+4 + 2F- = UF2+2 - log_k 16.4 - delta_h 30.1248 kJ - -gamma 0 0 +U+4 + 2 F- = UF2+2 + log_k 16.4 + delta_h 30.1248 kJ + -gamma 0 0 # Id: 8912701 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -U+4 + 3F- = UF3+ - log_k 21.6 - delta_h 29.9156 kJ - -gamma 0 0 +U+4 + 3 F- = UF3+ + log_k 21.6 + delta_h 29.9156 kJ + -gamma 0 0 # Id: 8912702 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -U+4 + 4F- = UF4 - log_k 23.64 - delta_h 19.2464 kJ - -gamma 0 0 +U+4 + 4 F- = UF4 + log_k 23.64 + delta_h 19.2464 kJ + -gamma 0 0 # Id: 8912703 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -U+4 + 5F- = UF5- - log_k 25.238 - delta_h 20.2924 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +U+4 + 5 F- = UF5- + log_k 25.238 + delta_h 20.2924 kJ + -gamma 0 0 # Id: 8912704 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -U+4 + 6F- = UF6-2 - log_k 27.718 - delta_h 13.8072 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +U+4 + 6 F- = UF6-2 + log_k 27.718 + delta_h 13.8072 kJ + -gamma 0 0 # Id: 8912705 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: UO2+2 + F- = UO2F+ - log_k 5.14 - delta_h 1 kJ - -gamma 0 0 + log_k 5.14 + delta_h 1 kJ + -gamma 0 0 # Id: 8932700 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -UO2+2 + 2F- = UO2F2 - log_k 8.6 - delta_h 2 kJ - -gamma 0 0 +UO2+2 + 2 F- = UO2F2 + log_k 8.6 + delta_h 2 kJ + -gamma 0 0 # Id: 8932701 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -UO2+2 + 3F- = UO2F3- - log_k 11 - delta_h 2 kJ - -gamma 0 0 +UO2+2 + 3 F- = UO2F3- + log_k 11 + delta_h 2 kJ + -gamma 0 0 # Id: 8932702 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -UO2+2 + 4F- = UO2F4-2 - log_k 11.9 - delta_h 0.4 kJ - -gamma 0 0 +UO2+2 + 4 F- = UO2F4-2 + log_k 11.9 + delta_h 0.4 kJ + -gamma 0 0 # Id: 8932703 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Be+2 + F- = BeF+ - log_k 5.249 - delta_h 0 kJ - -gamma 0 0 + log_k 5.249 + delta_h 0 kJ + -gamma 0 0 # Id: 1102701 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.50 25.0 -Be+2 + 2F- = BeF2 - log_k 9.1285 - delta_h -4 kJ - -gamma 0 0 +Be+2 + 2 F- = BeF2 + log_k 9.1285 + delta_h -4 kJ + -gamma 0 0 # Id: 1102702 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.50 25.0 -Be+2 + 3F- = BeF3- - log_k 11.9085 - delta_h -8 kJ - -gamma 0 0 +Be+2 + 3 F- = BeF3- + log_k 11.9085 + delta_h -8 kJ + -gamma 0 0 # Id: 1102703 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.50 25.0 Mg+2 + F- = MgF+ - log_k 2.05 - delta_h 13 kJ - -gamma 4.5 0 + log_k 2.05 + delta_h 13 kJ + -gamma 4.5 0 # Id: 4602700 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Ca+2 + F- = CaF+ - log_k 1.038 - delta_h 14 kJ - -gamma 5 0 + log_k 1.038 + delta_h 14 kJ + -gamma 5 0 # Id: 1502700 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 1.00 25.0 Sr+2 + F- = SrF+ - log_k 0.548 - delta_h 16 kJ - -gamma 0 0 + log_k 0.548 + delta_h 16 kJ + -gamma 0 0 # Id: 8002701 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 1.00 25.0 Na+ + F- = NaF - log_k -0.2 - delta_h 12 kJ - -gamma 0 0 + log_k -0.2 + delta_h 12 kJ + -gamma 0 0 # Id: 5002700 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Sn(OH)2 + 2H+ + Cl- = SnCl+ + 2H2O - log_k 8.734 - delta_h 0 kJ - -gamma 0 0 +Sn(OH)2 + 2 H+ + Cl- = SnCl+ + 2 H2O + log_k 8.734 + delta_h 0 kJ + -gamma 0 0 # Id: 7901801 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Sn(OH)2 + 2H+ + 2Cl- = SnCl2 + 2H2O - log_k 9.524 - delta_h 0 kJ - -gamma 0 0 +Sn(OH)2 + 2 H+ + 2 Cl- = SnCl2 + 2 H2O + log_k 9.524 + delta_h 0 kJ + -gamma 0 0 # Id: 7901802 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Sn(OH)2 + 2H+ + 3Cl- = SnCl3- + 2H2O - log_k 8.3505 - delta_h 0 kJ - -gamma 0 0 +Sn(OH)2 + 2 H+ + 3 Cl- = SnCl3- + 2 H2O + log_k 8.3505 + delta_h 0 kJ + -gamma 0 0 # Id: 7901803 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 2.00 25.0 Pb+2 + Cl- = PbCl+ - log_k 1.55 - delta_h 8.7 kJ - -gamma 0 0 + log_k 1.55 + delta_h 8.7 kJ + -gamma 0 0 # Id: 6001800 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Pb+2 + 2Cl- = PbCl2 - log_k 2.2 - delta_h 12 kJ - -gamma 0 0 +Pb+2 + 2 Cl- = PbCl2 + log_k 2.2 + delta_h 12 kJ + -gamma 0 0 # Id: 6001801 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Pb+2 + 3Cl- = PbCl3- - log_k 1.8 - delta_h 4 kJ - -gamma 0 0 +Pb+2 + 3 Cl- = PbCl3- + log_k 1.8 + delta_h 4 kJ + -gamma 0 0 # Id: 6001802 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Pb+2 + 4Cl- = PbCl4-2 - log_k 1.46 - delta_h 14.7695 kJ - -gamma 0 0 +Pb+2 + 4 Cl- = PbCl4-2 + log_k 1.46 + delta_h 14.7695 kJ + -gamma 0 0 # Id: 6001803 - # log K source: SCD3.02 (1984 SEa) - # Delta H source: MTQ3.11 + # log K source: SCD3.02 (1984 SEa) + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Tl+ + Cl- = TlCl - log_k 0.51 - delta_h -6.2 kJ - -gamma 0 0 + log_k 0.51 + delta_h -6.2 kJ + -gamma 0 0 # Id: 8701800 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Tl+ + 2Cl- = TlCl2- - log_k 0.28 - delta_h 0 kJ - -gamma 0 0 +Tl+ + 2 Cl- = TlCl2- + log_k 0.28 + delta_h 0 kJ + -gamma 0 0 # Id: 8701801 - # log K source: SCD3.02 (1992 RAb) - # Delta H source: MTQ3.11 + # log K source: SCD3.02 (1992 RAb) + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Tl(OH)3 + 3H+ + Cl- = TlCl+2 + 3H2O - log_k 11.011 - delta_h 0 kJ - -gamma 0 0 +Tl(OH)3 + 3 H+ + Cl- = TlCl+2 + 3 H2O + log_k 11.011 + delta_h 0 kJ + -gamma 0 0 # Id: 8711800 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Tl(OH)3 + 3H+ + 2Cl- = TlCl2+ + 3H2O - log_k 16.771 - delta_h 0 kJ - -gamma 0 0 +Tl(OH)3 + 3 H+ + 2 Cl- = TlCl2+ + 3 H2O + log_k 16.771 + delta_h 0 kJ + -gamma 0 0 # Id: 8711801 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Tl(OH)3 + 3H+ + 3Cl- = TlCl3 + 3H2O - log_k 19.791 - delta_h 0 kJ - -gamma 0 0 +Tl(OH)3 + 3 H+ + 3 Cl- = TlCl3 + 3 H2O + log_k 19.791 + delta_h 0 kJ + -gamma 0 0 # Id: 8711802 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Tl(OH)3 + 3H+ + 4Cl- = TlCl4- + 3H2O - log_k 21.591 - delta_h 0 kJ - -gamma 0 0 +Tl(OH)3 + 3 H+ + 4 Cl- = TlCl4- + 3 H2O + log_k 21.591 + delta_h 0 kJ + -gamma 0 0 # Id: 8711803 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Tl(OH)3 + Cl- + 2H+ = TlOHCl+ + 2H2O - log_k 10.629 - delta_h 0 kJ - -gamma 0 0 +Tl(OH)3 + Cl- + 2 H+ = TlOHCl+ + 2 H2O + log_k 10.629 + delta_h 0 kJ + -gamma 0 0 # Id: 8711804 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: Zn+2 + Cl- = ZnCl+ - log_k 0.4 - delta_h 5.4 kJ - -gamma 4 0 + log_k 0.4 + delta_h 5.4 kJ + -gamma 4 0 # Id: 9501800 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Zn+2 + 2Cl- = ZnCl2 - log_k 0.6 - delta_h 37 kJ - -gamma 0 0 +Zn+2 + 2 Cl- = ZnCl2 + log_k 0.6 + delta_h 37 kJ + -gamma 0 0 # Id: 9501801 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Zn+2 + 3Cl- = ZnCl3- - log_k 0.5 - delta_h 39.999 kJ - -gamma 4 0 +Zn+2 + 3 Cl- = ZnCl3- + log_k 0.5 + delta_h 39.999 kJ + -gamma 4 0 # Id: 9501802 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Zn+2 + 4Cl- = ZnCl4-2 - log_k 0.199 - delta_h 45.8566 kJ - -gamma 5 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Zn+2 + 4 Cl- = ZnCl4-2 + log_k 0.199 + delta_h 45.8566 kJ + -gamma 5 0 # Id: 9501803 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: Zn+2 + H2O + Cl- = ZnOHCl + H+ - log_k -7.48 - delta_h 0 kJ - -gamma 0 0 + log_k -7.48 + delta_h 0 kJ + -gamma 0 0 # Id: 9501804 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: Cd+2 + Cl- = CdCl+ - log_k 1.98 - delta_h 1 kJ - -gamma 0 0 + log_k 1.98 + delta_h 1 kJ + -gamma 0 0 # Id: 1601800 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Cd+2 + 2Cl- = CdCl2 - log_k 2.6 - delta_h 3 kJ - -gamma 0 0 +Cd+2 + 2 Cl- = CdCl2 + log_k 2.6 + delta_h 3 kJ + -gamma 0 0 # Id: 1601801 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Cd+2 + 3Cl- = CdCl3- - log_k 2.4 - delta_h 10 kJ - -gamma 0 0 +Cd+2 + 3 Cl- = CdCl3- + log_k 2.4 + delta_h 10 kJ + -gamma 0 0 # Id: 1601802 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Cd+2 + H2O + Cl- = CdOHCl + H+ - log_k -7.404 - delta_h 18.2213 kJ - -gamma 0 0 + log_k -7.404 + delta_h 18.2213 kJ + -gamma 0 0 # Id: 1601803 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Hg(OH)2 + 2H+ + Cl- = HgCl+ + 2H2O - log_k 13.494 - delta_h -62.72 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Hg(OH)2 + 2 H+ + Cl- = HgCl+ + 2 H2O + log_k 13.494 + delta_h -62.72 kJ + -gamma 0 0 # Id: 3611800 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Hg(OH)2 + 2H+ + 2Cl- = HgCl2 + 2H2O - log_k 20.194 - delta_h -92.42 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + 2 Cl- = HgCl2 + 2 H2O + log_k 20.194 + delta_h -92.42 kJ + -gamma 0 0 # Id: 3611801 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Hg(OH)2 + 2H+ + 3Cl- = HgCl3- + 2H2O - log_k 21.194 - delta_h -94.02 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + 3 Cl- = HgCl3- + 2 H2O + log_k 21.194 + delta_h -94.02 kJ + -gamma 0 0 # Id: 3611802 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Hg(OH)2 + 2H+ + 4Cl- = HgCl4-2 + 2H2O - log_k 21.794 - delta_h -100.72 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + 4 Cl- = HgCl4-2 + 2 H2O + log_k 21.794 + delta_h -100.72 kJ + -gamma 0 0 # Id: 3611803 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Hg(OH)2 + Cl- + I- + 2H+ = HgClI + 2H2O - log_k 25.532 - delta_h -135.3 kJ - -gamma 0 0 +Hg(OH)2 + Cl- + I- + 2 H+ = HgClI + 2 H2O + log_k 25.532 + delta_h -135.3 kJ + -gamma 0 0 # Id: 3611804 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: Hg(OH)2 + H+ + Cl- = HgClOH + H2O - log_k 10.444 - delta_h -42.72 kJ - -gamma 0 0 + log_k 10.444 + delta_h -42.72 kJ + -gamma 0 0 # Id: 3611805 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 1.00 25.0 Cu+2 + Cl- = CuCl+ - log_k 0.2 - delta_h 8.3 kJ - -gamma 4 0 + log_k 0.2 + delta_h 8.3 kJ + -gamma 4 0 # Id: 2311800 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Cu+2 + 2Cl- = CuCl2 - log_k -0.26 - delta_h 44.183 kJ - -gamma 0 0 +Cu+2 + 2 Cl- = CuCl2 + log_k -0.26 + delta_h 44.183 kJ + -gamma 0 0 # Id: 2311801 - # log K source: SCD3.02 (1989 IPa) - # Delta H source: MTQ3.11 + # log K source: SCD3.02 (1989 IPa) + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Cu+2 + 3Cl- = CuCl3- - log_k -2.29 - delta_h 57.279 kJ - -gamma 4 0 +Cu+2 + 3 Cl- = CuCl3- + log_k -2.29 + delta_h 57.279 kJ + -gamma 4 0 # Id: 2311802 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Cu+2 + 4Cl- = CuCl4-2 - log_k -4.59 - delta_h 32.5515 kJ - -gamma 5 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Cu+2 + 4 Cl- = CuCl4-2 + log_k -4.59 + delta_h 32.5515 kJ + -gamma 5 0 # Id: 2311803 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Cu+ + 2Cl- = CuCl2- - log_k 5.42 - delta_h -1.7573 kJ - -gamma 4 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Cu+ + 2 Cl- = CuCl2- + log_k 5.42 + delta_h -1.7573 kJ + -gamma 4 0 # Id: 2301800 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Cu+ + 3Cl- = CuCl3-2 - log_k 4.75 - delta_h 1.0878 kJ - -gamma 5 0 +Cu+ + 3 Cl- = CuCl3-2 + log_k 4.75 + delta_h 1.0878 kJ + -gamma 5 0 # Id: 2301801 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Cu+ + Cl- = CuCl - log_k 3.1 - delta_h 0 kJ - -gamma 0 0 + log_k 3.1 + delta_h 0 kJ + -gamma 0 0 # Id: 2301802 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Ag+ + Cl- = AgCl - log_k 3.31 - delta_h -12 kJ - -gamma 0 0 + log_k 3.31 + delta_h -12 kJ + -gamma 0 0 # Id: 201800 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Ag+ + 2Cl- = AgCl2- - log_k 5.25 - delta_h -16 kJ - -gamma 0 0 +Ag+ + 2 Cl- = AgCl2- + log_k 5.25 + delta_h -16 kJ + -gamma 0 0 # Id: 201801 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Ag+ + 3Cl- = AgCl3-2 - log_k 5.2 - delta_h 0 kJ - -gamma 0 0 +Ag+ + 3 Cl- = AgCl3-2 + log_k 5.2 + delta_h 0 kJ + -gamma 0 0 # Id: 201802 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Ag+ + 4Cl- = AgCl4-3 - log_k 5.51 - delta_h 0 kJ - -gamma 0 0 +Ag+ + 4 Cl- = AgCl4-3 + log_k 5.51 + delta_h 0 kJ + -gamma 0 0 # Id: 201803 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: Ni+2 + Cl- = NiCl+ - log_k 0.408 - delta_h 2 kJ - -gamma 0 0 + log_k 0.408 + delta_h 2 kJ + -gamma 0 0 # Id: 5401800 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 1.00 25.0 -Ni+2 + 2Cl- = NiCl2 - log_k -1.89 - delta_h 0 kJ - -gamma 0 0 +Ni+2 + 2 Cl- = NiCl2 + log_k -1.89 + delta_h 0 kJ + -gamma 0 0 # Id: 5401801 - # log K source: SCD3.02 (1989 IPa) - # Delta H source: MTQ3.11 + # log K source: SCD3.02 (1989 IPa) + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Co+2 + Cl- = CoCl+ - log_k 0.539 - delta_h 2 kJ - -gamma 0 0 + log_k 0.539 + delta_h 2 kJ + -gamma 0 0 # Id: 2001800 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.50 25.0 Co+3 + Cl- = CoCl+2 - log_k 2.3085 - delta_h 16 kJ - -gamma 0 0 + log_k 2.3085 + delta_h 16 kJ + -gamma 0 0 # Id: 2011800 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.50 25.0 Fe+3 + Cl- = FeCl+2 - log_k 1.48 - delta_h 23 kJ - -gamma 5 0 + log_k 1.48 + delta_h 23 kJ + -gamma 5 0 # Id: 2811800 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Fe+3 + 2Cl- = FeCl2+ - log_k 2.13 - delta_h 0 kJ - -gamma 5 0 +Fe+3 + 2 Cl- = FeCl2+ + log_k 2.13 + delta_h 0 kJ + -gamma 5 0 # Id: 2811801 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Fe+3 + 3Cl- = FeCl3 - log_k 1.13 - delta_h 0 kJ - -gamma 0 0 +Fe+3 + 3 Cl- = FeCl3 + log_k 1.13 + delta_h 0 kJ + -gamma 0 0 # Id: 2811802 - # log K source: Nord90 - # Delta H source: MTQ3.11 + # log K source: Nord90 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Mn+2 + Cl- = MnCl+ - log_k 0.1 - delta_h 0 kJ - -gamma 5 0 + log_k 0.1 + delta_h 0 kJ + -gamma 5 0 # Id: 4701800 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 20.0 -Mn+2 + 2Cl- = MnCl2 - log_k 0.25 - delta_h 0 kJ - -gamma 0 0 +Mn+2 + 2 Cl- = MnCl2 + log_k 0.25 + delta_h 0 kJ + -gamma 0 0 # Id: 4701801 - # log K source: Nord90 - # Delta H source: MTQ3.11 + # log K source: Nord90 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Mn+2 + 3Cl- = MnCl3- - log_k -0.31 - delta_h 0 kJ - -gamma 5 0 +Mn+2 + 3 Cl- = MnCl3- + log_k -0.31 + delta_h 0 kJ + -gamma 5 0 # Id: 4701802 - # log K source: Nord90 - # Delta H source: MTQ3.11 + # log K source: Nord90 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Cr(OH)2+ + 2H+ + Cl- = CrCl+2 + 2H2O - log_k 9.6808 - delta_h -103.62 kJ - -gamma 0 0 +Cr(OH)2+ + 2 H+ + Cl- = CrCl+2 + 2 H2O + log_k 9.6808 + delta_h -103.62 kJ + -gamma 0 0 # Id: 2111800 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 1.00 25.0 -Cr(OH)2+ + 2Cl- + 2H+ = CrCl2+ + 2H2O - log_k 8.658 - delta_h -39.2208 kJ - -gamma 0 0 +Cr(OH)2+ + 2 Cl- + 2 H+ = CrCl2+ + 2 H2O + log_k 8.658 + delta_h -39.2208 kJ + -gamma 0 0 # Id: 2111801 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Cr(OH)2+ + 2Cl- + H+ = CrOHCl2 + H2O - log_k 2.9627 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Cr(OH)2+ + 2 Cl- + H+ = CrOHCl2 + H2O + log_k 2.9627 + delta_h 0 kJ + -gamma 0 0 # Id: 2111802 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: VO+2 + Cl- = VOCl+ - log_k 0.448 - delta_h 0 kJ - -gamma 0 0 + log_k 0.448 + delta_h 0 kJ + -gamma 0 0 # Id: 9021800 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 20.0 U+4 + Cl- = UCl+3 - log_k 1.7 - delta_h -20 kJ - -gamma 0 0 + log_k 1.7 + delta_h -20 kJ + -gamma 0 0 # Id: 8911800 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 UO2+2 + Cl- = UO2Cl+ - log_k 0.21 - delta_h 16 kJ - -gamma 0 0 + log_k 0.21 + delta_h 16 kJ + -gamma 0 0 # Id: 8931800 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Be+2 + Cl- = BeCl+ - log_k 0.2009 - delta_h 0 kJ - -gamma 5 0 + log_k 0.2009 + delta_h 0 kJ + -gamma 5 0 # Id: 1101801 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.70 20.0 -Sn(OH)2 + 2H+ + Br- = SnBr+ + 2H2O - log_k 8.254 - delta_h 0 kJ - -gamma 0 0 +Sn(OH)2 + 2 H+ + Br- = SnBr+ + 2 H2O + log_k 8.254 + delta_h 0 kJ + -gamma 0 0 # Id: 7901301 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Sn(OH)2 + 2H+ + 2Br- = SnBr2 + 2H2O - log_k 8.794 - delta_h 0 kJ - -gamma 0 0 +Sn(OH)2 + 2 H+ + 2 Br- = SnBr2 + 2 H2O + log_k 8.794 + delta_h 0 kJ + -gamma 0 0 # Id: 7901302 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Sn(OH)2 + 2H+ + 3Br- = SnBr3- + 2H2O - log_k 7.48 - delta_h 0 kJ - -gamma 0 0 +Sn(OH)2 + 2 H+ + 3 Br- = SnBr3- + 2 H2O + log_k 7.48 + delta_h 0 kJ + -gamma 0 0 # Id: 7901303 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 3.00 25.0 Pb+2 + Br- = PbBr+ - log_k 1.7 - delta_h 8 kJ - -gamma 0 0 + log_k 1.7 + delta_h 8 kJ + -gamma 0 0 # Id: 6001300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Pb+2 + 2Br- = PbBr2 - log_k 2.6 - delta_h -4 kJ - -gamma 0 0 +Pb+2 + 2 Br- = PbBr2 + log_k 2.6 + delta_h -4 kJ + -gamma 0 0 # Id: 6001301 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Tl+ + Br- = TlBr - log_k 0.91 - delta_h -12 kJ - -gamma 0 0 + log_k 0.91 + delta_h -12 kJ + -gamma 0 0 # Id: 8701300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Tl+ + 2Br- = TlBr2- - log_k -0.384 - delta_h 12.36 kJ - -gamma 0 0 +Tl+ + 2 Br- = TlBr2- + log_k -0.384 + delta_h 12.36 kJ + -gamma 0 0 # Id: 8701301 - # log K source: NIST46.3 - # Delta H source: NIST2.1.1 + # log K source: NIST46.3 + # Delta H source: NIST2.1.1 #T and ionic strength: 4.00 25.0 Tl+ + Br- + Cl- = TlBrCl- - log_k 0.8165 - delta_h 0 kJ - -gamma 0 0 + log_k 0.8165 + delta_h 0 kJ + -gamma 0 0 # Id: 8701302 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: Tl+ + I- + Br- = TlIBr- - log_k 2.185 - delta_h 0 kJ - -gamma 0 0 + log_k 2.185 + delta_h 0 kJ + -gamma 0 0 # Id: 8703802 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Tl(OH)3 + 3H+ + Br- = TlBr+2 + 3H2O - log_k 12.803 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Tl(OH)3 + 3 H+ + Br- = TlBr+2 + 3 H2O + log_k 12.803 + delta_h 0 kJ + -gamma 0 0 # Id: 8711300 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -Tl(OH)3 + 3H+ + 2Br- = TlBr2+ + 3H2O - log_k 20.711 - delta_h 0 kJ - -gamma 0 0 +Tl(OH)3 + 3 H+ + 2 Br- = TlBr2+ + 3 H2O + log_k 20.711 + delta_h 0 kJ + -gamma 0 0 # Id: 8711301 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -Tl(OH)3 + 3Br- + 3H+ = TlBr3 + 3H2O - log_k 27.0244 - delta_h 0 kJ - -gamma 0 0 +Tl(OH)3 + 3 Br- + 3 H+ = TlBr3 + 3 H2O + log_k 27.0244 + delta_h 0 kJ + -gamma 0 0 # Id: 8711302 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Tl(OH)3 + 4Br- + 3H+ = TlBr4- + 3H2O - log_k 31.1533 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Tl(OH)3 + 4 Br- + 3 H+ = TlBr4- + 3 H2O + log_k 31.1533 + delta_h 0 kJ + -gamma 0 0 # Id: 8711303 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: Zn+2 + Br- = ZnBr+ - log_k -0.07 - delta_h 1 kJ - -gamma 0 0 + log_k -0.07 + delta_h 1 kJ + -gamma 0 0 # Id: 9501300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Zn+2 + 2Br- = ZnBr2 - log_k -0.98 - delta_h 0 kJ - -gamma 0 0 +Zn+2 + 2 Br- = ZnBr2 + log_k -0.98 + delta_h 0 kJ + -gamma 0 0 # Id: 9501301 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: Cd+2 + Br- = CdBr+ - log_k 2.15 - delta_h -3 kJ - -gamma 0 0 + log_k 2.15 + delta_h -3 kJ + -gamma 0 0 # Id: 1601300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Cd+2 + 2Br- = CdBr2 - log_k 3 - delta_h -3 kJ - -gamma 0 0 +Cd+2 + 2 Br- = CdBr2 + log_k 3 + delta_h -3 kJ + -gamma 0 0 # Id: 1601301 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Hg(OH)2 + 2H+ + Br- = HgBr+ + 2H2O - log_k 15.803 - delta_h -81.92 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + Br- = HgBr+ + 2 H2O + log_k 15.803 + delta_h -81.92 kJ + -gamma 0 0 # Id: 3611301 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.50 25.0 -Hg(OH)2 + 2H+ + 2Br- = HgBr2 + 2H2O - log_k 24.2725 - delta_h -127.12 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + 2 Br- = HgBr2 + 2 H2O + log_k 24.2725 + delta_h -127.12 kJ + -gamma 0 0 # Id: 3611302 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.50 25.0 -Hg(OH)2 + 2H+ + 3Br- = HgBr3- + 2H2O - log_k 26.7025 - delta_h -138.82 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + 3 Br- = HgBr3- + 2 H2O + log_k 26.7025 + delta_h -138.82 kJ + -gamma 0 0 # Id: 3611303 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.50 25.0 -Hg(OH)2 + 2H+ + 4Br- = HgBr4-2 + 2H2O - log_k 27.933 - delta_h -153.72 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + 4 Br- = HgBr4-2 + 2 H2O + log_k 27.933 + delta_h -153.72 kJ + -gamma 0 0 # Id: 3611304 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.50 25.0 -Hg(OH)2 + Br- + Cl- + 2H+ = HgBrCl + 2H2O - log_k 22.1811 - delta_h -113.77 kJ - -gamma 0 0 +Hg(OH)2 + Br- + Cl- + 2 H+ = HgBrCl + 2 H2O + log_k 22.1811 + delta_h -113.77 kJ + -gamma 0 0 # Id: 3611305 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: -Hg(OH)2 + Br- + I- + 2H+ = HgBrI + 2H2O - log_k 27.3133 - delta_h -151.27 kJ - -gamma 0 0 + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: +Hg(OH)2 + Br- + I- + 2 H+ = HgBrI + 2 H2O + log_k 27.3133 + delta_h -151.27 kJ + -gamma 0 0 # Id: 3611306 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: -Hg(OH)2 + Br- + 3I- + 2H+ = HgBrI3-2 + 2H2O - log_k 34.2135 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: +Hg(OH)2 + Br- + 3 I- + 2 H+ = HgBrI3-2 + 2 H2O + log_k 34.2135 + delta_h 0 kJ + -gamma 0 0 # Id: 3611307 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Hg(OH)2 + 2Br- + 2I- + 2H+ = HgBr2I2-2 + 2H2O - log_k 32.3994 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Hg(OH)2 + 2 Br- + 2 I- + 2 H+ = HgBr2I2-2 + 2 H2O + log_k 32.3994 + delta_h 0 kJ + -gamma 0 0 # Id: 3611308 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Hg(OH)2 + 3Br- + I- + 2H+ = HgBr3I-2 + 2H2O - log_k 30.1528 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Hg(OH)2 + 3 Br- + I- + 2 H+ = HgBr3I-2 + 2 H2O + log_k 30.1528 + delta_h 0 kJ + -gamma 0 0 # Id: 3611309 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: Hg(OH)2 + H+ + Br- = HgBrOH + H2O - log_k 12.433 - delta_h 0 kJ - -gamma 0 0 + log_k 12.433 + delta_h 0 kJ + -gamma 0 0 # Id: 3613301 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.50 25.0 Ag+ + Br- = AgBr - log_k 4.6 - delta_h 0 kJ - -gamma 0 0 + log_k 4.6 + delta_h 0 kJ + -gamma 0 0 # Id: 201300 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Ag+ + 2Br- = AgBr2- - log_k 7.5 - delta_h 0 kJ - -gamma 0 0 +Ag+ + 2 Br- = AgBr2- + log_k 7.5 + delta_h 0 kJ + -gamma 0 0 # Id: 201301 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Ag+ + 3Br- = AgBr3-2 - log_k 8.1 - delta_h 0 kJ - -gamma 0 0 +Ag+ + 3 Br- = AgBr3-2 + log_k 8.1 + delta_h 0 kJ + -gamma 0 0 # Id: 201302 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Ni+2 + Br- = NiBr+ - log_k 0.5 - delta_h 0 kJ - -gamma 0 0 + log_k 0.5 + delta_h 0 kJ + -gamma 0 0 # Id: 5401300 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Cr(OH)2+ + Br- + 2H+ = CrBr+2 + 2H2O - log_k 7.5519 - delta_h -46.9068 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Cr(OH)2+ + Br- + 2 H+ = CrBr+2 + 2 H2O + log_k 7.5519 + delta_h -46.9068 kJ + -gamma 0 0 # Id: 2111300 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: Be+2 + Br- = BeBr+ - log_k 0.1009 - delta_h 0 kJ - -gamma 5 0 + log_k 0.1009 + delta_h 0 kJ + -gamma 5 0 # Id: 1101301 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.70 20.0 Pb+2 + I- = PbI+ - log_k 2 - delta_h 0 kJ - -gamma 0 0 + log_k 2 + delta_h 0 kJ + -gamma 0 0 # Id: 6003800 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Pb+2 + 2I- = PbI2 - log_k 3.2 - delta_h 0 kJ - -gamma 0 0 +Pb+2 + 2 I- = PbI2 + log_k 3.2 + delta_h 0 kJ + -gamma 0 0 # Id: 6003801 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Tl+ + I- = TlI - log_k 1.4279 - delta_h 0 kJ - -gamma 0 0 + log_k 1.4279 + delta_h 0 kJ + -gamma 0 0 # Id: 8703800 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Tl+ + 2I- = TlI2- - log_k 1.8588 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Tl+ + 2 I- = TlI2- + log_k 1.8588 + delta_h 0 kJ + -gamma 0 0 # Id: 8703801 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Tl(OH)3 + 4I- + 3H+ = TlI4- + 3H2O - log_k 34.7596 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Tl(OH)3 + 4 I- + 3 H+ = TlI4- + 3 H2O + log_k 34.7596 + delta_h 0 kJ + -gamma 0 0 # Id: 8713800 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: Zn+2 + I- = ZnI+ - log_k -2.0427 - delta_h -4 kJ - -gamma 0 0 + log_k -2.0427 + delta_h -4 kJ + -gamma 0 0 # Id: 9503800 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 3.00 25.0 -Zn+2 + 2I- = ZnI2 - log_k -1.69 - delta_h 0 kJ - -gamma 0 0 +Zn+2 + 2 I- = ZnI2 + log_k -1.69 + delta_h 0 kJ + -gamma 0 0 # Id: 9503801 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: Cd+2 + I- = CdI+ - log_k 2.28 - delta_h -9.6 kJ - -gamma 0 0 + log_k 2.28 + delta_h -9.6 kJ + -gamma 0 0 # Id: 1603800 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Cd+2 + 2I- = CdI2 - log_k 3.92 - delta_h -12 kJ - -gamma 0 0 +Cd+2 + 2 I- = CdI2 + log_k 3.92 + delta_h -12 kJ + -gamma 0 0 # Id: 1603801 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Hg(OH)2 + 2H+ + I- = HgI+ + 2H2O - log_k 19.603 - delta_h -111.22 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + I- = HgI+ + 2 H2O + log_k 19.603 + delta_h -111.22 kJ + -gamma 0 0 # Id: 3613801 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.50 25.0 -Hg(OH)2 + 2H+ + 2I- = HgI2 + 2H2O - log_k 30.8225 - delta_h -182.72 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + 2 I- = HgI2 + 2 H2O + log_k 30.8225 + delta_h -182.72 kJ + -gamma 0 0 # Id: 3613802 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.50 25.0 -Hg(OH)2 + 2H+ + 3I- = HgI3- + 2H2O - log_k 34.6025 - delta_h -194.22 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + 3 I- = HgI3- + 2 H2O + log_k 34.6025 + delta_h -194.22 kJ + -gamma 0 0 # Id: 3613803 - # log K source: NIST46.4 - # Delta H source: NIST2.1.1 + # log K source: NIST46.4 + # Delta H source: NIST2.1.1 #T and ionic strength: 0.50 25.0 -Hg(OH)2 + 2H+ + 4I- = HgI4-2 + 2H2O - log_k 36.533 - delta_h -220.72 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + 4 I- = HgI4-2 + 2 H2O + log_k 36.533 + delta_h -220.72 kJ + -gamma 0 0 # Id: 3613804 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.50 25.0 Ag+ + I- = AgI - log_k 6.6 - delta_h 0 kJ - -gamma 0 0 + log_k 6.6 + delta_h 0 kJ + -gamma 0 0 # Id: 203800 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 18.0 -Ag+ + 2I- = AgI2- - log_k 11.7 - delta_h 0 kJ - -gamma 0 0 +Ag+ + 2 I- = AgI2- + log_k 11.7 + delta_h 0 kJ + -gamma 0 0 # Id: 203801 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 18.0 -Ag+ + 3I- = AgI3-2 - log_k 12.6 - delta_h -122 kJ - -gamma 0 0 +Ag+ + 3 I- = AgI3-2 + log_k 12.6 + delta_h -122 kJ + -gamma 0 0 # Id: 203802 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Ag+ + 4I- = AgI4-3 - log_k 14.229 - delta_h 0 kJ - -gamma 0 0 +Ag+ + 4 I- = AgI4-3 + log_k 14.229 + delta_h 0 kJ + -gamma 0 0 # Id: 203803 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 2.00 25.0 -Cr(OH)2+ + I- + 2H+ = CrI+2 + 2H2O - log_k 4.8289 - delta_h 0 kJ - -gamma 0 0 +Cr(OH)2+ + I- + 2 H+ = CrI+2 + 2 H2O + log_k 4.8289 + delta_h 0 kJ + -gamma 0 0 # Id: 2113800 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: H+ + HS- = H2S - log_k 7.02 - delta_h -22 kJ - -gamma 0 0 + log_k 7.02 + delta_h -22 kJ + -gamma 0 0 # Id: 3307300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Pb+2 + 2HS- = Pb(HS)2 - log_k 15.27 - delta_h 0 kJ - -gamma 0 0 +Pb+2 + 2 HS- = Pb(HS)2 + log_k 15.27 + delta_h 0 kJ + -gamma 0 0 # Id: 6007300 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Pb+2 + 3HS- = Pb(HS)3- - log_k 16.57 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Pb+2 + 3 HS- = Pb(HS)3- + log_k 16.57 + delta_h 0 kJ + -gamma 0 0 # Id: 6007301 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: Tl+ + HS- = TlHS - log_k 2.474 - delta_h 0 kJ - -gamma 0 0 + log_k 2.474 + delta_h 0 kJ + -gamma 0 0 # Id: 8707300 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -2Tl+ + HS- = Tl2HS+ - log_k 5.974 - delta_h 0 kJ - -gamma 0 0 +2 Tl+ + HS- = Tl2HS+ + log_k 5.974 + delta_h 0 kJ + -gamma 0 0 # Id: 8707301 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -2Tl+ + 3HS- + H2O = Tl2OH(HS)3-2 + H+ - log_k 1.0044 - delta_h 0 kJ - -gamma 0 0 +2 Tl+ + 3 HS- + H2O = Tl2OH(HS)3-2 + H+ + log_k 1.0044 + delta_h 0 kJ + -gamma 0 0 # Id: 8707302 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -2Tl+ + 2HS- + 2H2O = Tl2(OH)2(HS)2-2 + 2H+ - log_k -11.0681 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +2 Tl+ + 2 HS- + 2 H2O = Tl2(OH)2(HS)2-2 + 2 H+ + log_k -11.0681 + delta_h 0 kJ + -gamma 0 0 # Id: 8707303 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Zn+2 + 2HS- = Zn(HS)2 - log_k 12.82 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Zn+2 + 2 HS- = Zn(HS)2 + log_k 12.82 + delta_h 0 kJ + -gamma 0 0 # Id: 9507300 - # log K source: DHa1993 - # Delta H source: MTQ3.11 + # log K source: DHa1993 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Zn+2 + 3HS- = Zn(HS)3- - log_k 16.1 - delta_h 0 kJ - -gamma 0 0 +Zn+2 + 3 HS- = Zn(HS)3- + log_k 16.1 + delta_h 0 kJ + -gamma 0 0 # Id: 9507301 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Zn+2 + 3HS- = ZnS(HS)2-2 + H+ - log_k 6.12 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Zn+2 + 3 HS- = ZnS(HS)2-2 + H+ + log_k 6.12 + delta_h 0 kJ + -gamma 0 0 # Id: 9507302 - # log K source: DHa1993 - # Delta H source: MTQ3.11 + # log K source: DHa1993 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Zn+2 + 2HS- + 2HS- = Zn(HS)4-2 - log_k 14.64 - delta_h 0 kJ - -gamma 0 0 +Zn+2 + 2 HS- + 2 HS- = Zn(HS)4-2 + log_k 14.64 + delta_h 0 kJ + -gamma 0 0 # Id: 9507303 - # log K source: DHa1993 - # Delta H source: MTQ3.11 + # log K source: DHa1993 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Zn+2 + 2HS- = ZnS(HS)- + H+ - log_k 6.81 - delta_h 0 kJ - -gamma 0 0 +Zn+2 + 2 HS- = ZnS(HS)- + H+ + log_k 6.81 + delta_h 0 kJ + -gamma 0 0 # Id: 9507304 - # log K source: DHa1993 - # Delta H source: MTQ3.11 + # log K source: DHa1993 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Cd+2 + HS- = CdHS+ - log_k 8.008 - delta_h 0 kJ - -gamma 0 0 + log_k 8.008 + delta_h 0 kJ + -gamma 0 0 # Id: 1607300 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -Cd+2 + 2HS- = Cd(HS)2 - log_k 15.212 - delta_h 0 kJ - -gamma 0 0 +Cd+2 + 2 HS- = Cd(HS)2 + log_k 15.212 + delta_h 0 kJ + -gamma 0 0 # Id: 1607301 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -Cd+2 + 3HS- = Cd(HS)3- - log_k 17.112 - delta_h 0 kJ - -gamma 0 0 +Cd+2 + 3 HS- = Cd(HS)3- + log_k 17.112 + delta_h 0 kJ + -gamma 0 0 # Id: 1607302 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -Cd+2 + 4HS- = Cd(HS)4-2 - log_k 19.308 - delta_h 0 kJ - -gamma 0 0 +Cd+2 + 4 HS- = Cd(HS)4-2 + log_k 19.308 + delta_h 0 kJ + -gamma 0 0 # Id: 1607303 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -Hg(OH)2 + 2HS- = HgS2-2 + 2H2O - log_k 29.414 - delta_h 0 kJ - -gamma 0 0 +Hg(OH)2 + 2 HS- = HgS2-2 + 2 H2O + log_k 29.414 + delta_h 0 kJ + -gamma 0 0 # Id: 3617300 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 20.0 -Hg(OH)2 + 2H+ + 2HS- = Hg(HS)2 + 2H2O - log_k 44.516 - delta_h 0 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + 2 HS- = Hg(HS)2 + 2 H2O + log_k 44.516 + delta_h 0 kJ + -gamma 0 0 # Id: 3617301 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 20.0 -Hg(OH)2 + H+ + 2HS- = HgHS2- + 2H2O - log_k 38.122 - delta_h 0 kJ - -gamma 0 0 +Hg(OH)2 + H+ + 2 HS- = HgHS2- + 2 H2O + log_k 38.122 + delta_h 0 kJ + -gamma 0 0 # Id: 3617302 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 20.0 -Cu+2 + 3HS- = Cu(HS)3- - log_k 25.899 - delta_h 0 kJ - -gamma 0 0 +Cu+2 + 3 HS- = Cu(HS)3- + log_k 25.899 + delta_h 0 kJ + -gamma 0 0 # Id: 2317300 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: Ag+ + HS- = AgHS - log_k 13.8145 - delta_h 0 kJ - -gamma 0 0 + log_k 13.8145 + delta_h 0 kJ + -gamma 0 0 # Id: 207300 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.10 20.0 -Ag+ + 2HS- = Ag(HS)2- - log_k 17.9145 - delta_h 0 kJ - -gamma 0 0 +Ag+ + 2 HS- = Ag(HS)2- + log_k 17.9145 + delta_h 0 kJ + -gamma 0 0 # Id: 207301 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.10 20.0 -Fe+2 + 2HS- = Fe(HS)2 - log_k 8.95 - delta_h 0 kJ - -gamma 0 0 +Fe+2 + 2 HS- = Fe(HS)2 + log_k 8.95 + delta_h 0 kJ + -gamma 0 0 # Id: 2807300 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Fe+2 + 3HS- = Fe(HS)3- - log_k 10.987 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Fe+2 + 3 HS- = Fe(HS)3- + log_k 10.987 + delta_h 0 kJ + -gamma 0 0 # Id: 2807301 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: HS- = S2-2 + H+ - log_k -11.7828 - delta_h 46.4 kJ - -gamma 0 0 + log_k -11.7828 + delta_h 46.4 kJ + -gamma 0 0 -no_check # Id: 7317300 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: HS- = S3-2 + H+ - log_k -10.7667 - delta_h 42.2 kJ - -gamma 0 0 + log_k -10.7667 + delta_h 42.2 kJ + -gamma 0 0 -no_check # Id: 7317301 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: HS- = S4-2 + H+ - log_k -9.9608 - delta_h 39.3 kJ - -gamma 0 0 + log_k -9.9608 + delta_h 39.3 kJ + -gamma 0 0 -no_check # Id: 7317302 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: HS- = S5-2 + H+ - log_k -9.3651 - delta_h 37.6 kJ - -gamma 0 0 + log_k -9.3651 + delta_h 37.6 kJ + -gamma 0 0 -no_check # Id: 7317303 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: HS- = S6-2 + H+ - log_k -9.881 - delta_h 0 kJ - -gamma 0 0 + log_k -9.881 + delta_h 0 kJ + -gamma 0 0 -no_check # Id: 7317304 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -2Sb(OH)3 + 4HS- + 2H+ = Sb2S4-2 + 6H2O - log_k 49.3886 - delta_h -321.78 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +2 Sb(OH)3 + 4 HS- + 2 H+ = Sb2S4-2 + 6 H2O + log_k 49.3886 + delta_h -321.78 kJ + -gamma 0 0 # Id: 7407300 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: -Cu+ + 2HS- = Cu(S4)2-3 + 2H+ - log_k 3.39 - delta_h 0 kJ - -gamma 23 0 + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: +Cu+ + 2 HS- = Cu(S4)2-3 + 2 H+ + log_k 3.39 + delta_h 0 kJ + -gamma 23 0 -no_check # Id: 2307300 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Cu+ + 2HS- = CuS4S5-3 + 2H+ - log_k 2.66 - delta_h 0 kJ - -gamma 25 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Cu+ + 2 HS- = CuS4S5-3 + 2 H+ + log_k 2.66 + delta_h 0 kJ + -gamma 25 0 -no_check # Id: 2307301 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Ag+ + 2HS- = Ag(S4)2-3 + 2H+ - log_k 0.991 - delta_h 0 kJ - -gamma 22 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Ag+ + 2 HS- = Ag(S4)2-3 + 2 H+ + log_k 0.991 + delta_h 0 kJ + -gamma 22 0 -no_check # Id: 207302 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Ag+ + 2HS- = AgS4S5-3 + 2H+ - log_k 0.68 - delta_h 0 kJ - -gamma 24 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Ag+ + 2 HS- = AgS4S5-3 + 2 H+ + log_k 0.68 + delta_h 0 kJ + -gamma 24 0 -no_check # Id: 207303 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Ag+ + 2HS- = Ag(HS)S4-2 + H+ - log_k 10.431 - delta_h 0 kJ - -gamma 15 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Ag+ + 2 HS- = Ag(HS)S4-2 + H+ + log_k 10.431 + delta_h 0 kJ + -gamma 15 0 -no_check # Id: 207304 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: H+ + SO4-2 = HSO4- - log_k 1.99 - delta_h 22 kJ - -gamma 4.5 0 + log_k 1.99 + delta_h 22 kJ + -gamma 4.5 0 # Id: 3307320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 NH4+ + SO4-2 = NH4SO4- - log_k 1.03 - delta_h 0 kJ - -gamma 5 0 + log_k 1.03 + delta_h 0 kJ + -gamma 5 0 # Id: 4907320 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Pb+2 + SO4-2 = PbSO4 - log_k 2.69 - delta_h 0 kJ - -gamma 0 0 + log_k 2.69 + delta_h 0 kJ + -gamma 0 0 # Id: 6007320 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Pb+2 + 2SO4-2 = Pb(SO4)2-2 - log_k 3.47 - delta_h 0 kJ - -gamma 0 0 +Pb+2 + 2 SO4-2 = Pb(SO4)2-2 + log_k 3.47 + delta_h 0 kJ + -gamma 0 0 # Id: 6007321 - # log K source: SCD3.02 (1960 RKa) - # Delta H source: MTQ3.11 + # log K source: SCD3.02 (1960 RKa) + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Al+3 + SO4-2 = AlSO4+ - log_k 3.89 - delta_h 28 kJ - -gamma 4.5 0 + log_k 3.89 + delta_h 28 kJ + -gamma 4.5 0 # Id: 307320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Al+3 + 2SO4-2 = Al(SO4)2- - log_k 4.92 - delta_h 11.9 kJ - -gamma 4.5 0 +Al+3 + 2 SO4-2 = Al(SO4)2- + log_k 4.92 + delta_h 11.9 kJ + -gamma 4.5 0 # Id: 307321 - # log K source: Nord90 - # Delta H source: Nord90 + # log K source: Nord90 + # Delta H source: Nord90 #T and ionic strength: 0.00 25.0 Tl+ + SO4-2 = TlSO4- - log_k 1.37 - delta_h -0.8 kJ - -gamma 0 0 + log_k 1.37 + delta_h -0.8 kJ + -gamma 0 0 # Id: 8707320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Zn+2 + SO4-2 = ZnSO4 - log_k 2.34 - delta_h 6.2 kJ - -gamma 0 0 + log_k 2.34 + delta_h 6.2 kJ + -gamma 0 0 # Id: 9507320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Zn+2 + 2SO4-2 = Zn(SO4)2-2 - log_k 3.28 - delta_h 0 kJ - -gamma 0 0 +Zn+2 + 2 SO4-2 = Zn(SO4)2-2 + log_k 3.28 + delta_h 0 kJ + -gamma 0 0 # Id: 9507321 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: Cd+2 + SO4-2 = CdSO4 - log_k 2.37 - delta_h 8.7 kJ - -gamma 0 0 + log_k 2.37 + delta_h 8.7 kJ + -gamma 0 0 # Id: 1607320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Cd+2 + 2SO4-2 = Cd(SO4)2-2 - log_k 3.5 - delta_h 0 kJ - -gamma 0 0 +Cd+2 + 2 SO4-2 = Cd(SO4)2-2 + log_k 3.5 + delta_h 0 kJ + -gamma 0 0 # Id: 1607321 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Hg(OH)2 + 2H+ + SO4-2 = HgSO4 + 2H2O - log_k 8.612 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Hg(OH)2 + 2 H+ + SO4-2 = HgSO4 + 2 H2O + log_k 8.612 + delta_h 0 kJ + -gamma 0 0 # Id: 3617320 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.50 25.0 Cu+2 + SO4-2 = CuSO4 - log_k 2.36 - delta_h 8.7 kJ - -gamma 0 0 + log_k 2.36 + delta_h 8.7 kJ + -gamma 0 0 # Id: 2317320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Ag+ + SO4-2 = AgSO4- - log_k 1.3 - delta_h 6.2 kJ - -gamma 0 0 + log_k 1.3 + delta_h 6.2 kJ + -gamma 0 0 # Id: 207320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Ni+2 + SO4-2 = NiSO4 - log_k 2.3 - delta_h 5.8 kJ - -gamma 0 0 + log_k 2.3 + delta_h 5.8 kJ + -gamma 0 0 # Id: 5407320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Ni+2 + 2SO4-2 = Ni(SO4)2-2 - log_k 0.82 - delta_h 0 kJ - -gamma 0 0 +Ni+2 + 2 SO4-2 = Ni(SO4)2-2 + log_k 0.82 + delta_h 0 kJ + -gamma 0 0 # Id: 5407321 - # log K source: SCD3.02 (1978 BLa) - # Delta H source: MTQ3.11 + # log K source: SCD3.02 (1978 BLa) + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Co+2 + SO4-2 = CoSO4 - log_k 2.3 - delta_h 6.2 kJ - -gamma 0 0 + log_k 2.3 + delta_h 6.2 kJ + -gamma 0 0 # Id: 2007320 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Fe+2 + SO4-2 = FeSO4 - log_k 2.39 - delta_h 8 kJ - -gamma 0 0 + log_k 2.39 + delta_h 8 kJ + -gamma 0 0 # Id: 2807320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Fe+3 + SO4-2 = FeSO4+ - log_k 4.05 - delta_h 25 kJ - -gamma 5 0 + log_k 4.05 + delta_h 25 kJ + -gamma 5 0 # Id: 2817320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Fe+3 + 2SO4-2 = Fe(SO4)2- - log_k 5.38 - delta_h 19.2 kJ - -gamma 0 0 +Fe+3 + 2 SO4-2 = Fe(SO4)2- + log_k 5.38 + delta_h 19.2 kJ + -gamma 0 0 # Id: 2817321 - # log K source: Nord90 - # Delta H source: Nord90 + # log K source: Nord90 + # Delta H source: Nord90 #T and ionic strength: 0.00 25.0 Mn+2 + SO4-2 = MnSO4 - log_k 2.25 - delta_h 8.7 kJ - -gamma 0 0 + log_k 2.25 + delta_h 8.7 kJ + -gamma 0 0 # Id: 4707320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Cr(OH)2+ + 2H+ + SO4-2 = CrSO4+ + 2H2O - log_k 12.9371 - delta_h -98.62 kJ - -gamma 0 0 +Cr(OH)2+ + 2 H+ + SO4-2 = CrSO4+ + 2 H2O + log_k 12.9371 + delta_h -98.62 kJ + -gamma 0 0 # Id: 2117320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 1.00 50.0 Cr(OH)2+ + H+ + SO4-2 = CrOHSO4 + H2O - log_k 8.2871 - delta_h 0 kJ - -gamma 0 0 + log_k 8.2871 + delta_h 0 kJ + -gamma 0 0 # Id: 2117321 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.10 25.0 -2Cr(OH)2+ + SO4-2 + 2H+ = Cr2(OH)2SO4+2 + 2H2O - log_k 16.155 - delta_h 0 kJ - -gamma 0 0 +2 Cr(OH)2+ + SO4-2 + 2 H+ = Cr2(OH)2SO4+2 + 2 H2O + log_k 16.155 + delta_h 0 kJ + -gamma 0 0 # Id: 2117323 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -2Cr(OH)2+ + 2SO4-2 + 2H+ = Cr2(OH)2(SO4)2 + 2H2O - log_k 17.9288 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +2 Cr(OH)2+ + 2 SO4-2 + 2 H+ = Cr2(OH)2(SO4)2 + 2 H2O + log_k 17.9288 + delta_h 0 kJ + -gamma 0 0 # Id: 2117324 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: U+4 + SO4-2 = USO4+2 - log_k 6.6 - delta_h 8 kJ - -gamma 0 0 + log_k 6.6 + delta_h 8 kJ + -gamma 0 0 # Id: 8917320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -U+4 + 2SO4-2 = U(SO4)2 - log_k 10.5 - delta_h 33 kJ - -gamma 0 0 +U+4 + 2 SO4-2 = U(SO4)2 + log_k 10.5 + delta_h 33 kJ + -gamma 0 0 # Id: 8917321 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 UO2+2 + SO4-2 = UO2SO4 - log_k 3.18 - delta_h 20 kJ - -gamma 0 0 + log_k 3.18 + delta_h 20 kJ + -gamma 0 0 # Id: 8937320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -UO2+2 + 2SO4-2 = UO2(SO4)2-2 - log_k 4.3 - delta_h 38 kJ - -gamma 0 0 +UO2+2 + 2 SO4-2 = UO2(SO4)2-2 + log_k 4.3 + delta_h 38 kJ + -gamma 0 0 # Id: 8937321 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 V+3 + SO4-2 = VSO4+ - log_k 2.674 - delta_h 0 kJ - -gamma 0 0 + log_k 2.674 + delta_h 0 kJ + -gamma 0 0 # Id: 9017320 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 VO+2 + SO4-2 = VOSO4 - log_k 2.44 - delta_h 17 kJ - -gamma 0 0 + log_k 2.44 + delta_h 17 kJ + -gamma 0 0 # Id: 9027320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 VO2+ + SO4-2 = VO2SO4- - log_k 1.378 - delta_h 0 kJ - -gamma 0 0 + log_k 1.378 + delta_h 0 kJ + -gamma 0 0 # Id: 9037320 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 20.0 Be+2 + SO4-2 = BeSO4 - log_k 2.19 - delta_h 29 kJ - -gamma 0 0 + log_k 2.19 + delta_h 29 kJ + -gamma 0 0 # Id: 1107321 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Be+2 + 2SO4-2 = Be(SO4)2-2 - log_k 2.596 - delta_h 0 kJ - -gamma 0 0 +Be+2 + 2 SO4-2 = Be(SO4)2-2 + log_k 2.596 + delta_h 0 kJ + -gamma 0 0 # Id: 1107322 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 Mg+2 + SO4-2 = MgSO4 - log_k 2.26 - delta_h 5.8 kJ - -gamma 0 0 + log_k 2.26 + delta_h 5.8 kJ + -gamma 0 0 # Id: 4607320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Ca+2 + SO4-2 = CaSO4 - log_k 2.36 - delta_h 7.1 kJ - -gamma 0 0 + log_k 2.36 + delta_h 7.1 kJ + -gamma 0 0 # Id: 1507320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Sr+2 + SO4-2 = SrSO4 - log_k 2.3 - delta_h 8 kJ - -gamma 0 0 + log_k 2.3 + delta_h 8 kJ + -gamma 0 0 # Id: 8007321 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Li+ + SO4-2 = LiSO4- - log_k 0.64 - delta_h 0 kJ - -gamma 5 0 + log_k 0.64 + delta_h 0 kJ + -gamma 5 0 # Id: 4407320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Na+ + SO4-2 = NaSO4- - log_k 0.73 - delta_h 1 kJ - -gamma 5.4 0 + log_k 0.73 + delta_h 1 kJ + -gamma 5.4 0 # Id: 5007320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 K+ + SO4-2 = KSO4- - log_k 0.85 - delta_h 4.1 kJ - -gamma 5.4 0 + log_k 0.85 + delta_h 4.1 kJ + -gamma 5.4 0 # Id: 4107320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 HSe- + H+ = H2Se - log_k 3.89 - delta_h 3.3 kJ - -gamma 0 0 + log_k 3.89 + delta_h 3.3 kJ + -gamma 0 0 # Id: 3307600 - # log K source: NIST46.3 - # Delta H source: NIST2.1.1 + # log K source: NIST46.3 + # Delta H source: NIST2.1.1 #T and ionic strength: 0.00 25.0 -2Ag+ + HSe- = Ag2Se + H+ - log_k 34.911 - delta_h 0 kJ - -gamma 0 0 +2 Ag+ + HSe- = Ag2Se + H+ + log_k 34.911 + delta_h 0 kJ + -gamma 0 0 # Id: 207600 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -Ag+ + H2O + 2HSe- = AgOH(Se)2-4 + 3H+ - log_k -20.509 - delta_h 0 kJ - -gamma 0 0 +Ag+ + H2O + 2 HSe- = AgOH(Se)2-4 + 3 H+ + log_k -20.509 + delta_h 0 kJ + -gamma 0 0 # Id: 207601 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 Mn+2 + HSe- = MnSe + H+ - log_k -5.385 - delta_h 0 kJ - -gamma 0 0 + log_k -5.385 + delta_h 0 kJ + -gamma 0 0 # Id: 4707600 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 HSeO3- = SeO3-2 + H+ - log_k -8.4 - delta_h 5.02 kJ - -gamma 0 0 + log_k -8.4 + delta_h 5.02 kJ + -gamma 0 0 # Id: 3307611 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 HSeO3- + H+ = H2SeO3 - log_k 2.63 - delta_h 6.2 kJ - -gamma 0 0 + log_k 2.63 + delta_h 6.2 kJ + -gamma 0 0 # Id: 3307610 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Cd+2 + 2HSeO3- = Cd(SeO3)2-2 + 2H+ - log_k -10.884 - delta_h 0 kJ - -gamma 0 0 +Cd+2 + 2 HSeO3- = Cd(SeO3)2-2 + 2 H+ + log_k -10.884 + delta_h 0 kJ + -gamma 0 0 # Id: 1607610 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 Ag+ + HSeO3- = AgSeO3- + H+ - log_k -5.592 - delta_h 0 kJ - -gamma 0 0 + log_k -5.592 + delta_h 0 kJ + -gamma 0 0 # Id: 207610 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -Ag+ + 2HSeO3- = Ag(SeO3)2-3 + 2H+ - log_k -13.04 - delta_h 0 kJ - -gamma 0 0 +Ag+ + 2 HSeO3- = Ag(SeO3)2-3 + 2 H+ + log_k -13.04 + delta_h 0 kJ + -gamma 0 0 # Id: 207611 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 Fe+3 + HSeO3- = FeHSeO3+2 - log_k 3.422 - delta_h 25 kJ - -gamma 0 0 + log_k 3.422 + delta_h 25 kJ + -gamma 0 0 # Id: 2817610 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 1.00 25.0 SeO4-2 + H+ = HSeO4- - log_k 1.7 - delta_h 23 kJ - -gamma 0 0 + log_k 1.7 + delta_h 23 kJ + -gamma 0 0 # Id: 3307620 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Zn+2 + SeO4-2 = ZnSeO4 - log_k 2.19 - delta_h 0 kJ - -gamma 0 0 + log_k 2.19 + delta_h 0 kJ + -gamma 0 0 # Id: 9507620 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Zn+2 + 2SeO4-2 = Zn(SeO4)2-2 - log_k 2.196 - delta_h 0 kJ - -gamma 0 0 +Zn+2 + 2 SeO4-2 = Zn(SeO4)2-2 + log_k 2.196 + delta_h 0 kJ + -gamma 0 0 # Id: 9507621 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 Cd+2 + SeO4-2 = CdSeO4 - log_k 2.27 - delta_h 0 kJ - -gamma 0 0 + log_k 2.27 + delta_h 0 kJ + -gamma 0 0 # Id: 1607620 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Ni+2 + SeO4-2 = NiSeO4 - log_k 2.67 - delta_h 14 kJ - -gamma 0 0 + log_k 2.67 + delta_h 14 kJ + -gamma 0 0 # Id: 5407620 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Co+2 + SeO4-2 = CoSeO4 - log_k 2.7 - delta_h 12 kJ - -gamma 0 0 + log_k 2.7 + delta_h 12 kJ + -gamma 0 0 # Id: 2007621 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Mn+2 + SeO4-2 = MnSeO4 - log_k 2.43 - delta_h 14 kJ - -gamma 0 0 + log_k 2.43 + delta_h 14 kJ + -gamma 0 0 # Id: 4707620 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 NH4+ = NH3 + H+ - log_k -9.244 - delta_h 52 kJ - -gamma 0 0 + log_k -9.244 + delta_h 52 kJ + -gamma 0 0 # Id: 3304900 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Ag+ + NH4+ = AgNH3+ + H+ - log_k -5.934 - delta_h -72 kJ - -gamma 0 0 + log_k -5.934 + delta_h -72 kJ + -gamma 0 0 # Id: 204901 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Ag+ + 2NH4+ = Ag(NH3)2+ + 2H+ - log_k -11.268 - delta_h -160 kJ - -gamma 0 0 +Ag+ + 2 NH4+ = Ag(NH3)2+ + 2 H+ + log_k -11.268 + delta_h -160 kJ + -gamma 0 0 # Id: 204902 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Hg(OH)2 + H+ + NH4+ = HgNH3+2 + 2H2O - log_k 5.75 - delta_h 0 kJ - -gamma 0 0 +Hg(OH)2 + H+ + NH4+ = HgNH3+2 + 2 H2O + log_k 5.75 + delta_h 0 kJ + -gamma 0 0 # Id: 3614900 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 2.00 22.0 -Hg(OH)2 + 2NH4+ = Hg(NH3)2+2 + 2H2O - log_k 5.506 - delta_h -246.72 kJ - -gamma 0 0 +Hg(OH)2 + 2 NH4+ = Hg(NH3)2+2 + 2 H2O + log_k 5.506 + delta_h -246.72 kJ + -gamma 0 0 # Id: 3614901 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 1.00 25.0 -Hg(OH)2 + 3NH4+ = Hg(NH3)3+2 + 2H2O + H+ - log_k -3.138 - delta_h -312.72 kJ - -gamma 0 0 +Hg(OH)2 + 3 NH4+ = Hg(NH3)3+2 + 2 H2O + H+ + log_k -3.138 + delta_h -312.72 kJ + -gamma 0 0 # Id: 3614902 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 2.00 25.0 -Hg(OH)2 + 4NH4+ = Hg(NH3)4+2 + 2H2O + 2H+ - log_k -11.482 - delta_h -379.72 kJ - -gamma 0 0 +Hg(OH)2 + 4 NH4+ = Hg(NH3)4+2 + 2 H2O + 2 H+ + log_k -11.482 + delta_h -379.72 kJ + -gamma 0 0 # Id: 3614903 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.10 25.0 Cu+2 + NH4+ = CuNH3+2 + H+ - log_k -5.234 - delta_h -72 kJ - -gamma 0 0 + log_k -5.234 + delta_h -72 kJ + -gamma 0 0 # Id: 2314901 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Ni+2 + NH4+ = NiNH3+2 + H+ - log_k -6.514 - delta_h -67 kJ - -gamma 0 0 + log_k -6.514 + delta_h -67 kJ + -gamma 0 0 # Id: 5404901 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 -Ni+2 + 2NH4+ = Ni(NH3)2+2 + 2H+ - log_k -13.598 - delta_h -111.6 kJ - -gamma 0 0 +Ni+2 + 2 NH4+ = Ni(NH3)2+2 + 2 H+ + log_k -13.598 + delta_h -111.6 kJ + -gamma 0 0 # Id: 5404902 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 Co+2 + NH4+ = Co(NH3)+2 + H+ - log_k -7.164 - delta_h -65 kJ - -gamma 0 0 + log_k -7.164 + delta_h -65 kJ + -gamma 0 0 # Id: 2004900 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 -Co+2 + 2NH4+ = Co(NH3)2+2 + 2H+ - log_k -14.778 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 2 NH4+ = Co(NH3)2+2 + 2 H+ + log_k -14.778 + delta_h 0 kJ + -gamma 0 0 # Id: 2004901 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 2.00 25.0 -Co+2 + 3NH4+ = Co(NH3)3+2 + 3H+ - log_k -22.922 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 3 NH4+ = Co(NH3)3+2 + 3 H+ + log_k -22.922 + delta_h 0 kJ + -gamma 0 0 # Id: 2004902 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 2.00 25.0 -Co+2 + 4NH4+ = Co(NH3)4+2 + 4H+ - log_k -31.446 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 4 NH4+ = Co(NH3)4+2 + 4 H+ + log_k -31.446 + delta_h 0 kJ + -gamma 0 0 # Id: 2004903 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 2.00 30.0 -Co+2 + 5NH4+ = Co(NH3)5+2 + 5H+ - log_k -40.47 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 5 NH4+ = Co(NH3)5+2 + 5 H+ + log_k -40.47 + delta_h 0 kJ + -gamma 0 0 # Id: 2004904 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 2.00 30.0 -Co+3 + 6NH4+ + H2O = Co(NH3)6OH+2 + 7H+ - log_k -43.7148 - delta_h 0 kJ - -gamma 0 0 +Co+3 + 6 NH4+ + H2O = Co(NH3)6OH+2 + 7 H+ + log_k -43.7148 + delta_h 0 kJ + -gamma 0 0 # Id: 2014901 - # log K source: NIST2.1.1 - # Delta H source: MTQ3.11 - #T and ionic strength: -Co+3 + 5NH4+ + Cl- = Co(NH3)5Cl+2 + 5H+ - log_k -17.9584 - delta_h 113.38 kJ - -gamma 0 0 + # log K source: NIST2.1.1 + # Delta H source: MTQ3.11 + #T and ionic strength: +Co+3 + 5 NH4+ + Cl- = Co(NH3)5Cl+2 + 5 H+ + log_k -17.9584 + delta_h 113.38 kJ + -gamma 0 0 # Id: 2014902 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: -Co+3 + 6NH4+ + Cl- = Co(NH3)6Cl+2 + 6H+ - log_k -33.9179 - delta_h 104.34 kJ - -gamma 0 0 + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: +Co+3 + 6 NH4+ + Cl- = Co(NH3)6Cl+2 + 6 H+ + log_k -33.9179 + delta_h 104.34 kJ + -gamma 0 0 # Id: 2014903 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: -Co+3 + 6NH4+ + Br- = Co(NH3)6Br+2 + 6H+ - log_k -33.8884 - delta_h 110.57 kJ - -gamma 0 0 + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: +Co+3 + 6 NH4+ + Br- = Co(NH3)6Br+2 + 6 H+ + log_k -33.8884 + delta_h 110.57 kJ + -gamma 0 0 # Id: 2014904 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: -Co+3 + 6NH4+ + I- = Co(NH3)6I+2 + 6H+ - log_k -33.4808 - delta_h 115.44 kJ - -gamma 0 0 + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: +Co+3 + 6 NH4+ + I- = Co(NH3)6I+2 + 6 H+ + log_k -33.4808 + delta_h 115.44 kJ + -gamma 0 0 # Id: 2014905 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: -Co+3 + 6NH4+ + SO4-2 = Co(NH3)6SO4+ + 6H+ - log_k -28.9926 - delta_h 124.5 kJ - -gamma 0 0 + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: +Co+3 + 6 NH4+ + SO4-2 = Co(NH3)6SO4+ + 6 H+ + log_k -28.9926 + delta_h 124.5 kJ + -gamma 0 0 # Id: 2014906 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: -Cr(OH)2+ + 6NH4+ = Cr(NH3)6+3 + 2H2O + 4H+ - log_k -32.8952 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: +Cr(OH)2+ + 6 NH4+ = Cr(NH3)6+3 + 2 H2O + 4 H+ + log_k -32.8952 + delta_h 0 kJ + -gamma 0 0 # Id: 2114900 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 4.50 25.0 -Cr(OH)2+ + 5NH4+ = Cr(NH3)5OH+2 + 4H+ + H2O - log_k -30.2759 - delta_h 0 kJ - -gamma 0 0 +Cr(OH)2+ + 5 NH4+ = Cr(NH3)5OH+2 + 4 H+ + H2O + log_k -30.2759 + delta_h 0 kJ + -gamma 0 0 # Id: 2114901 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Cr(OH)2+ + 6NH4+ + Cl- = Cr(NH3)6Cl+2 + 2H2O + 4H+ - log_k -31.7932 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Cr(OH)2+ + 6 NH4+ + Cl- = Cr(NH3)6Cl+2 + 2 H2O + 4 H+ + log_k -31.7932 + delta_h 0 kJ + -gamma 0 0 # Id: 2114904 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Cr(OH)2+ + 6NH4+ + Br- = Cr(NH3)6Br+2 + 4H+ + 2H2O - log_k -31.887 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Cr(OH)2+ + 6 NH4+ + Br- = Cr(NH3)6Br+2 + 4 H+ + 2 H2O + log_k -31.887 + delta_h 0 kJ + -gamma 0 0 # Id: 2114905 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Cr(OH)2+ + 6NH4+ + I- = Cr(NH3)6I+2 + 4H+ + 2H2O - log_k -32.008 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Cr(OH)2+ + 6 NH4+ + I- = Cr(NH3)6I+2 + 4 H+ + 2 H2O + log_k -32.008 + delta_h 0 kJ + -gamma 0 0 # Id: 2114906 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: #Cr(OH)2+ + 4NH4+ = cis+ + 4H+ # log_k -29.8574 # delta_h 0 kJ # -gamma 0 0 # # Id: 4902113 -# # log K source: MTQ3.11 -# # Delta H source: MTQ3.11 -# #T and ionic strength: +# # log K source: MTQ3.11 +# # Delta H source: MTQ3.11 +# #T and ionic strength: #Cr(OH)2+ + 4NH4+ = trans+ + 4H+ # log_k -30.5537 # delta_h 0 kJ # -gamma 0 0 # # Id: 4902114 -# # log K source: MTQ3.11 -# # Delta H source: MTQ3.11 -# #T and ionic strength: +# # log K source: MTQ3.11 +# # Delta H source: MTQ3.11 +# #T and ionic strength: Ca+2 + NH4+ = CaNH3+2 + H+ - log_k -9.144 - delta_h 0 kJ - -gamma 0 0 + log_k -9.144 + delta_h 0 kJ + -gamma 0 0 # Id: 1504901 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.50 25.0 -Ca+2 + 2NH4+ = Ca(NH3)2+2 + 2H+ - log_k -18.788 - delta_h 0 kJ - -gamma 0 0 +Ca+2 + 2 NH4+ = Ca(NH3)2+2 + 2 H+ + log_k -18.788 + delta_h 0 kJ + -gamma 0 0 # Id: 1504902 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.50 25.0 Sr+2 + NH4+ = SrNH3+2 + H+ - log_k -9.344 - delta_h 0 kJ - -gamma 0 0 + log_k -9.344 + delta_h 0 kJ + -gamma 0 0 # Id: 8004901 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.50 25.0 Ba+2 + NH4+ = BaNH3+2 + H+ - log_k -9.444 - delta_h 0 kJ - -gamma 0 0 + log_k -9.444 + delta_h 0 kJ + -gamma 0 0 # Id: 1004901 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.50 25.0 Tl+ + NO2- = TlNO2 - log_k 0.83 - delta_h 0 kJ - -gamma 0 0 + log_k 0.83 + delta_h 0 kJ + -gamma 0 0 # Id: 8704910 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Ag+ + NO2- = AgNO2 - log_k 2.32 - delta_h -29 kJ - -gamma 0 0 + log_k 2.32 + delta_h -29 kJ + -gamma 0 0 # Id: 204911 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Ag+ + 2NO2- = Ag(NO2)2- - log_k 2.51 - delta_h -46 kJ - -gamma 0 0 +Ag+ + 2 NO2- = Ag(NO2)2- + log_k 2.51 + delta_h -46 kJ + -gamma 0 0 # Id: 204910 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Cu+2 + NO2- = CuNO2+ - log_k 2.02 - delta_h 0 kJ - -gamma 0 0 + log_k 2.02 + delta_h 0 kJ + -gamma 0 0 # Id: 2314911 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Cu+2 + 2NO2- = Cu(NO2)2 - log_k 3.03 - delta_h 0 kJ - -gamma 0 0 +Cu+2 + 2 NO2- = Cu(NO2)2 + log_k 3.03 + delta_h 0 kJ + -gamma 0 0 # Id: 2314912 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Co+2 + NO2- = CoNO2+ - log_k 0.848 - delta_h 0 kJ - -gamma 0 0 + log_k 0.848 + delta_h 0 kJ + -gamma 0 0 # Id: 2004911 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -Sn(OH)2 + 2H+ + NO3- = SnNO3+ + 2H2O - log_k 7.942 - delta_h 0 kJ - -gamma 0 0 +Sn(OH)2 + 2 H+ + NO3- = SnNO3+ + 2 H2O + log_k 7.942 + delta_h 0 kJ + -gamma 0 0 # Id: 7904921 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 Pb+2 + NO3- = PbNO3+ - log_k 1.17 - delta_h 2 kJ - -gamma 0 0 + log_k 1.17 + delta_h 2 kJ + -gamma 0 0 # Id: 6004920 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Pb+2 + 2NO3- = Pb(NO3)2 - log_k 1.4 - delta_h -6.6 kJ - -gamma 0 0 +Pb+2 + 2 NO3- = Pb(NO3)2 + log_k 1.4 + delta_h -6.6 kJ + -gamma 0 0 # Id: 6004921 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Tl+ + NO3- = TlNO3 - log_k 0.33 - delta_h -2 kJ - -gamma 0 0 + log_k 0.33 + delta_h -2 kJ + -gamma 0 0 # Id: 8704920 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Tl(OH)3 + NO3- + 3H+ = TlNO3+2 + 3H2O - log_k 7.0073 - delta_h 0 kJ - -gamma 0 0 +Tl(OH)3 + NO3- + 3 H+ = TlNO3+2 + 3 H2O + log_k 7.0073 + delta_h 0 kJ + -gamma 0 0 # Id: 8714920 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: Cd+2 + NO3- = CdNO3+ - log_k 0.5 - delta_h -21 kJ - -gamma 0 0 + log_k 0.5 + delta_h -21 kJ + -gamma 0 0 # Id: 1604920 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Cd+2 + 2NO3- = Cd(NO3)2 - log_k 0.2 - delta_h 0 kJ - -gamma 0 0 +Cd+2 + 2 NO3- = Cd(NO3)2 + log_k 0.2 + delta_h 0 kJ + -gamma 0 0 # Id: 1604921 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Hg(OH)2 + 2H+ + NO3- = HgNO3+ + 2H2O - log_k 5.7613 - delta_h 0 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + NO3- = HgNO3+ + 2 H2O + log_k 5.7613 + delta_h 0 kJ + -gamma 0 0 # Id: 3614920 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 3.00 25.0 -Hg(OH)2 + 2H+ + 2NO3- = Hg(NO3)2 + 2H2O - log_k 5.38 - delta_h 0 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + 2 NO3- = Hg(NO3)2 + 2 H2O + log_k 5.38 + delta_h 0 kJ + -gamma 0 0 # Id: 3614921 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 3.00 25.0 Cu+2 + NO3- = CuNO3+ - log_k 0.5 - delta_h -4.1 kJ - -gamma 0 0 + log_k 0.5 + delta_h -4.1 kJ + -gamma 0 0 # Id: 2314921 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Cu+2 + 2NO3- = Cu(NO3)2 - log_k -0.4 - delta_h 0 kJ - -gamma 0 0 +Cu+2 + 2 NO3- = Cu(NO3)2 + log_k -0.4 + delta_h 0 kJ + -gamma 0 0 # Id: 2314922 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Zn+2 + NO3- = ZnNO3+ - log_k 0.4 - delta_h -4.6 kJ - -gamma 0 0 + log_k 0.4 + delta_h -4.6 kJ + -gamma 0 0 # Id: 9504921 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Zn+2 + 2NO3- = Zn(NO3)2 - log_k -0.3 - delta_h 0 kJ - -gamma 0 0 +Zn+2 + 2 NO3- = Zn(NO3)2 + log_k -0.3 + delta_h 0 kJ + -gamma 0 0 # Id: 9504922 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Ag+ + NO3- = AgNO3 - log_k -0.1 - delta_h 22.6 kJ - -gamma 0 0 + log_k -0.1 + delta_h 22.6 kJ + -gamma 0 0 # Id: 204920 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Ni+2 + NO3- = NiNO3+ - log_k 0.4 - delta_h 0 kJ - -gamma 0 0 + log_k 0.4 + delta_h 0 kJ + -gamma 0 0 # Id: 5404921 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Co+2 + NO3- = CoNO3+ - log_k 0.2 - delta_h 0 kJ - -gamma 0 0 + log_k 0.2 + delta_h 0 kJ + -gamma 0 0 # Id: 2004921 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Co+2 + 2NO3- = Co(NO3)2 - log_k 0.5085 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 2 NO3- = Co(NO3)2 + log_k 0.5085 + delta_h 0 kJ + -gamma 0 0 # Id: 2004922 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.50 25.0 Fe+3 + NO3- = FeNO3+2 - log_k 1 - delta_h -37 kJ - -gamma 0 0 + log_k 1 + delta_h -37 kJ + -gamma 0 0 # Id: 2814921 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Mn+2 + NO3- = MnNO3+ - log_k 0.2 - delta_h 0 kJ - -gamma 0 0 + log_k 0.2 + delta_h 0 kJ + -gamma 0 0 # Id: 4704921 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Mn+2 + 2NO3- = Mn(NO3)2 - log_k 0.6 - delta_h -1.6569 kJ - -gamma 0 0 +Mn+2 + 2 NO3- = Mn(NO3)2 + log_k 0.6 + delta_h -1.6569 kJ + -gamma 0 0 # Id: 4704920 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Cr(OH)2+ + NO3- + 2H+ = CrNO3+2 + 2H2O - log_k 8.2094 - delta_h -65.4378 kJ - -gamma 0 0 +Cr(OH)2+ + NO3- + 2 H+ = CrNO3+2 + 2 H2O + log_k 8.2094 + delta_h -65.4378 kJ + -gamma 0 0 # Id: 2114920 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: UO2+2 + NO3- = UO2NO3+ - log_k 0.3 - delta_h -12 kJ - -gamma 0 0 + log_k 0.3 + delta_h -12 kJ + -gamma 0 0 # Id: 8934921 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 VO2+ + NO3- = VO2NO3 - log_k -0.296 - delta_h 0 kJ - -gamma 0 0 + log_k -0.296 + delta_h 0 kJ + -gamma 0 0 # Id: 9034920 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 20.0 Ca+2 + NO3- = CaNO3+ - log_k 0.5 - delta_h -5.4 kJ - -gamma 0 0 + log_k 0.5 + delta_h -5.4 kJ + -gamma 0 0 # Id: 1504921 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Sr+2 + NO3- = SrNO3+ - log_k 0.6 - delta_h -10 kJ - -gamma 0 0 + log_k 0.6 + delta_h -10 kJ + -gamma 0 0 # Id: 8004921 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Ba+2 + NO3- = BaNO3+ - log_k 0.7 - delta_h -13 kJ - -gamma 0 0 + log_k 0.7 + delta_h -13 kJ + -gamma 0 0 # Id: 1004921 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 H+ + Cyanide- = HCyanide - log_k 9.21 - delta_h -43.63 kJ - -gamma 0 0 + log_k 9.21 + delta_h -43.63 kJ + -gamma 0 0 # Id: 3301431 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Cd+2 + Cyanide- = CdCyanide+ - log_k 6.01 - delta_h -30 kJ - -gamma 0 0 + log_k 6.01 + delta_h -30 kJ + -gamma 0 0 # Id: 1601431 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Cd+2 + 2Cyanide- = Cd(Cyanide)2 - log_k 11.12 - delta_h -54.3 kJ - -gamma 0 0 +Cd+2 + 2 Cyanide- = Cd(Cyanide)2 + log_k 11.12 + delta_h -54.3 kJ + -gamma 0 0 # Id: 1601432 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Cd+2 + 3Cyanide- = Cd(Cyanide)3- - log_k 15.65 - delta_h -90.3 kJ - -gamma 0 0 +Cd+2 + 3 Cyanide- = Cd(Cyanide)3- + log_k 15.65 + delta_h -90.3 kJ + -gamma 0 0 # Id: 1601433 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Cd+2 + 4Cyanide- = Cd(Cyanide)4-2 - log_k 17.92 - delta_h -112 kJ - -gamma 0 0 +Cd+2 + 4 Cyanide- = Cd(Cyanide)4-2 + log_k 17.92 + delta_h -112 kJ + -gamma 0 0 # Id: 1601434 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Hg(OH)2 + 2H+ + Cyanide- = HgCyanide+ + 2H2O - log_k 23.194 - delta_h -136.72 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + Cyanide- = HgCyanide+ + 2 H2O + log_k 23.194 + delta_h -136.72 kJ + -gamma 0 0 # Id: 3611431 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Hg(OH)2 + 2H+ + 2Cyanide- = Hg(Cyanide)2 + 2H2O - log_k 38.944 - delta_h 154.28 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + 2 Cyanide- = Hg(Cyanide)2 + 2 H2O + log_k 38.944 + delta_h 154.28 kJ + -gamma 0 0 # Id: 3611432 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Hg(OH)2 + 2H+ + 3Cyanide- = Hg(Cyanide)3- + 2H2O - log_k 42.504 - delta_h -262.72 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + 3 Cyanide- = Hg(Cyanide)3- + 2 H2O + log_k 42.504 + delta_h -262.72 kJ + -gamma 0 0 # Id: 3611433 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Hg(OH)2 + 2H+ + 4Cyanide- = Hg(Cyanide)4-2 + 2H2O - log_k 45.164 - delta_h -288.72 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + 4 Cyanide- = Hg(Cyanide)4-2 + 2 H2O + log_k 45.164 + delta_h -288.72 kJ + -gamma 0 0 # Id: 3611434 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Cu+ + 2Cyanide- = Cu(Cyanide)2- - log_k 21.9145 - delta_h -121 kJ - -gamma 0 0 +Cu+ + 2 Cyanide- = Cu(Cyanide)2- + log_k 21.9145 + delta_h -121 kJ + -gamma 0 0 # Id: 2301432 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 -Cu+ + 3Cyanide- = Cu(Cyanide)3-2 - log_k 27.2145 - delta_h -167.4 kJ - -gamma 0 0 +Cu+ + 3 Cyanide- = Cu(Cyanide)3-2 + log_k 27.2145 + delta_h -167.4 kJ + -gamma 0 0 # Id: 2301433 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Cu+ + 4Cyanide- = Cu(Cyanide)4-3 - log_k 28.7145 - delta_h -214.2 kJ - -gamma 0 0 +Cu+ + 4 Cyanide- = Cu(Cyanide)4-3 + log_k 28.7145 + delta_h -214.2 kJ + -gamma 0 0 # Id: 2301431 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Ag+ + 2Cyanide- = Ag(Cyanide)2- - log_k 20.48 - delta_h -137 kJ - -gamma 0 0 +Ag+ + 2 Cyanide- = Ag(Cyanide)2- + log_k 20.48 + delta_h -137 kJ + -gamma 0 0 # Id: 201432 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Ag+ + 3Cyanide- = Ag(Cyanide)3-2 - log_k 21.7 - delta_h -140 kJ - -gamma 0 0 +Ag+ + 3 Cyanide- = Ag(Cyanide)3-2 + log_k 21.7 + delta_h -140 kJ + -gamma 0 0 # Id: 201433 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Ag+ + H2O + Cyanide- = Ag(Cyanide)OH- + H+ - log_k -0.777 - delta_h 0 kJ - -gamma 0 0 + log_k -0.777 + delta_h 0 kJ + -gamma 0 0 # Id: 201431 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Ni+2 + 4Cyanide- = Ni(Cyanide)4-2 - log_k 30.2 - delta_h -180 kJ - -gamma 0 0 +Ni+2 + 4 Cyanide- = Ni(Cyanide)4-2 + log_k 30.2 + delta_h -180 kJ + -gamma 0 0 # Id: 5401431 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Ni+2 + 4Cyanide- + H+ = NiH(Cyanide)4- - log_k 36.0289 - delta_h 0 kJ - -gamma 0 0 +Ni+2 + 4 Cyanide- + H+ = NiH(Cyanide)4- + log_k 36.0289 + delta_h 0 kJ + -gamma 0 0 # Id: 5401432 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.10 25.0 -Ni+2 + 4Cyanide- + 2H+ = NiH2Cyanide4 - log_k 40.7434 - delta_h 0 kJ - -gamma 0 0 +Ni+2 + 4 Cyanide- + 2 H+ = NiH2Cyanide4 + log_k 40.7434 + delta_h 0 kJ + -gamma 0 0 # Id: 5401433 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.10 25.0 -Ni+2 + 4Cyanide- + 3H+ = NiH3(Cyanide)4+ - log_k 43.3434 - delta_h 0 kJ - -gamma 0 0 +Ni+2 + 4 Cyanide- + 3 H+ = NiH3(Cyanide)4+ + log_k 43.3434 + delta_h 0 kJ + -gamma 0 0 # Id: 5401434 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.10 25.0 -Co+2 + 3Cyanide- = Co(Cyanide)3- - log_k 14.312 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 3 Cyanide- = Co(Cyanide)3- + log_k 14.312 + delta_h 0 kJ + -gamma 0 0 # Id: 2001431 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -Co+2 + 5Cyanide- = Co(Cyanide)5-3 - log_k 23 - delta_h -257 kJ - -gamma 0 0 +Co+2 + 5 Cyanide- = Co(Cyanide)5-3 + log_k 23 + delta_h -257 kJ + -gamma 0 0 # Id: 2001432 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 1.00 25.0 -Fe+2 + 6Cyanide- = Fe(Cyanide)6-4 - log_k 35.4 - delta_h -358 kJ - -gamma 0 0 +Fe+2 + 6 Cyanide- = Fe(Cyanide)6-4 + log_k 35.4 + delta_h -358 kJ + -gamma 0 0 # Id: 2801431 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -H+ + Fe+2 + 6Cyanide- = HFe(Cyanide)6-3 - log_k 39.71 - delta_h -356 kJ - -gamma 0 0 +H+ + Fe+2 + 6 Cyanide- = HFe(Cyanide)6-3 + log_k 39.71 + delta_h -356 kJ + -gamma 0 0 # Id: 2801432 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -2H+ + Fe+2 + 6Cyanide- = H2Fe(Cyanide)6-2 - log_k 42.11 - delta_h -352 kJ - -gamma 0 0 +2 H+ + Fe+2 + 6 Cyanide- = H2Fe(Cyanide)6-2 + log_k 42.11 + delta_h -352 kJ + -gamma 0 0 # Id: 2801433 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Fe+3 + 6Cyanide- = Fe(Cyanide)6-3 - log_k 43.6 - delta_h -293 kJ - -gamma 0 0 +Fe+3 + 6 Cyanide- = Fe(Cyanide)6-3 + log_k 43.6 + delta_h -293 kJ + -gamma 0 0 # Id: 2811431 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -2Fe+3 + 6Cyanide- = Fe2(Cyanide)6 - log_k 47.6355 - delta_h -218 kJ - -gamma 0 0 +2 Fe+3 + 6 Cyanide- = Fe2(Cyanide)6 + log_k 47.6355 + delta_h -218 kJ + -gamma 0 0 # Id: 2811432 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.50 25.0 -Sn(OH)2 + Fe+3 + 6Cyanide- + 2H+ = SnFe(Cyanide)6- + 2H2O - log_k 53.54 - delta_h 0 kJ - -gamma 0 0 +Sn(OH)2 + Fe+3 + 6 Cyanide- + 2 H+ = SnFe(Cyanide)6- + 2 H2O + log_k 53.54 + delta_h 0 kJ + -gamma 0 0 # Id: 7901431 - # log K source: Ba1987 - # Delta H source: + # log K source: Ba1987 + # Delta H source: #T and ionic strength: 0.00 25.0 -NH4+ + Fe+2 + 6Cyanide- = NH4Fe(Cyanide)6-3 - log_k 37.7 - delta_h -354 kJ - -gamma 0 0 +NH4+ + Fe+2 + 6 Cyanide- = NH4Fe(Cyanide)6-3 + log_k 37.7 + delta_h -354 kJ + -gamma 0 0 # Id: 4901431 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Tl+ + Fe+2 + 6Cyanide- = TlFe(Cyanide)6-3 - log_k 38.4 - delta_h -365.5 kJ - -gamma 0 0 +Tl+ + Fe+2 + 6 Cyanide- = TlFe(Cyanide)6-3 + log_k 38.4 + delta_h -365.5 kJ + -gamma 0 0 # Id: 8701432 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Mg+2 + Fe+3 + 6Cyanide- = MgFe(Cyanide)6- - log_k 46.39 - delta_h -290 kJ - -gamma 0 0 +Mg+2 + Fe+3 + 6 Cyanide- = MgFe(Cyanide)6- + log_k 46.39 + delta_h -290 kJ + -gamma 0 0 # Id: 4601431 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Mg+2 + Fe+2 + 6Cyanide- = MgFe(Cyanide)6-2 - log_k 39.21 - delta_h -346 kJ - -gamma 0 0 +Mg+2 + Fe+2 + 6 Cyanide- = MgFe(Cyanide)6-2 + log_k 39.21 + delta_h -346 kJ + -gamma 0 0 # Id: 4601432 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Ca+2 + Fe+3 + 6Cyanide- = CaFe(Cyanide)6- - log_k 46.43 - delta_h -291 kJ - -gamma 0 0 +Ca+2 + Fe+3 + 6 Cyanide- = CaFe(Cyanide)6- + log_k 46.43 + delta_h -291 kJ + -gamma 0 0 # Id: 1501431 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Ca+2 + Fe+2 + 6Cyanide- = CaFe(Cyanide)6-2 - log_k 39.1 - delta_h -347 kJ - -gamma 0 0 +Ca+2 + Fe+2 + 6 Cyanide- = CaFe(Cyanide)6-2 + log_k 39.1 + delta_h -347 kJ + -gamma 0 0 # Id: 1501432 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -2Ca+2 + Fe+2 + 6Cyanide- = Ca2Fe(Cyanide)6 - log_k 40.6 - delta_h -350.201 kJ - -gamma 0 0 +2 Ca+2 + Fe+2 + 6 Cyanide- = Ca2Fe(Cyanide)6 + log_k 40.6 + delta_h -350.201 kJ + -gamma 0 0 # Id: 1501433 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Sr+2 + Fe+3 + 6Cyanide- = SrFe(Cyanide)6- - log_k 46.45 - delta_h -292 kJ - -gamma 0 0 +Sr+2 + Fe+3 + 6 Cyanide- = SrFe(Cyanide)6- + log_k 46.45 + delta_h -292 kJ + -gamma 0 0 # Id: 8001431 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Sr+2 + Fe+2 + 6Cyanide- = SrFe(Cyanide)6-2 - log_k 39.1 - delta_h -350 kJ - -gamma 0 0 +Sr+2 + Fe+2 + 6 Cyanide- = SrFe(Cyanide)6-2 + log_k 39.1 + delta_h -350 kJ + -gamma 0 0 # Id: 8001432 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Ba+2 + Fe+2 + 6Cyanide- = BaFe(Cyanide)6-2 - log_k 39.19 - delta_h -342 kJ - -gamma 0 0 +Ba+2 + Fe+2 + 6 Cyanide- = BaFe(Cyanide)6-2 + log_k 39.19 + delta_h -342 kJ + -gamma 0 0 # Id: 1001430 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Ba+2 + Fe+3 + 6Cyanide- = BaFe(Cyanide)6- - log_k 46.48 - delta_h -292 kJ - -gamma 0 0 +Ba+2 + Fe+3 + 6 Cyanide- = BaFe(Cyanide)6- + log_k 46.48 + delta_h -292 kJ + -gamma 0 0 # Id: 1001431 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Na+ + Fe+2 + 6Cyanide- = NaFe(Cyanide)6-3 - log_k 37.6 - delta_h -354 kJ - -gamma 0 0 +Na+ + Fe+2 + 6 Cyanide- = NaFe(Cyanide)6-3 + log_k 37.6 + delta_h -354 kJ + -gamma 0 0 # Id: 5001431 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -K+ + Fe+2 + 6Cyanide- = KFe(Cyanide)6-3 - log_k 37.75 - delta_h -353.9 kJ - -gamma 0 0 +K+ + Fe+2 + 6 Cyanide- = KFe(Cyanide)6-3 + log_k 37.75 + delta_h -353.9 kJ + -gamma 0 0 # Id: 4101433 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -K+ + Fe+3 + 6Cyanide- = KFe(Cyanide)6-2 - log_k 45.04 - delta_h -291 kJ - -gamma 0 0 +K+ + Fe+3 + 6 Cyanide- = KFe(Cyanide)6-2 + log_k 45.04 + delta_h -291 kJ + -gamma 0 0 # Id: 4101430 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 H+ + PO4-3 = HPO4-2 - log_k 12.375 - delta_h -15 kJ - -gamma 5 0 + log_k 12.375 + delta_h -15 kJ + -gamma 5 0 # Id: 3305800 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -2H+ + PO4-3 = H2PO4- - log_k 19.573 - delta_h -18 kJ - -gamma 5.4 0 +2 H+ + PO4-3 = H2PO4- + log_k 19.573 + delta_h -18 kJ + -gamma 5.4 0 # Id: 3305801 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -3H+ + PO4-3 = H3PO4 - log_k 21.721 - delta_h -10.1 kJ - -gamma 0 0 +3 H+ + PO4-3 = H3PO4 + log_k 21.721 + delta_h -10.1 kJ + -gamma 0 0 # Id: 3305802 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Co+2 + H+ + PO4-3 = CoHPO4 - log_k 15.4128 - delta_h 0 kJ - -gamma 0 0 + log_k 15.4128 + delta_h 0 kJ + -gamma 0 0 # Id: 2005800 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.10 25.0 -Fe+2 + 2H+ + PO4-3 = FeH2PO4+ - log_k 22.273 - delta_h 0 kJ - -gamma 5.4 0 +Fe+2 + 2 H+ + PO4-3 = FeH2PO4+ + log_k 22.273 + delta_h 0 kJ + -gamma 5.4 0 # Id: 2805800 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Fe+2 + H+ + PO4-3 = FeHPO4 - log_k 15.975 - delta_h 0 kJ - -gamma 0 0 + log_k 15.975 + delta_h 0 kJ + -gamma 0 0 # Id: 2805801 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Fe+3 + 2H+ + PO4-3 = FeH2PO4+2 - log_k 23.8515 - delta_h 0 kJ - -gamma 5.4 0 +Fe+3 + 2 H+ + PO4-3 = FeH2PO4+2 + log_k 23.8515 + delta_h 0 kJ + -gamma 5.4 0 # Id: 2815801 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.50 25.0 Fe+3 + H+ + PO4-3 = FeHPO4+ - log_k 22.292 - delta_h -30.5432 kJ - -gamma 5.4 0 + log_k 22.292 + delta_h -30.5432 kJ + -gamma 5.4 0 # Id: 2815800 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.50 25.0 -Cr(OH)2+ + 4H+ + PO4-3 = CrH2PO4+2 + 2H2O - log_k 31.9068 - delta_h 0 kJ - -gamma 0 0 +Cr(OH)2+ + 4 H+ + PO4-3 = CrH2PO4+2 + 2 H2O + log_k 31.9068 + delta_h 0 kJ + -gamma 0 0 # Id: 2115800 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: U+4 + PO4-3 + H+ = UHPO4+2 - log_k 24.443 - delta_h 31.38 kJ - -gamma 0 0 + log_k 24.443 + delta_h 31.38 kJ + -gamma 0 0 # Id: 8915800 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -U+4 + 2PO4-3 + 2H+ = U(HPO4)2 - log_k 46.833 - delta_h 7.1128 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +U+4 + 2 PO4-3 + 2 H+ = U(HPO4)2 + log_k 46.833 + delta_h 7.1128 kJ + -gamma 0 0 # Id: 8915801 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -U+4 + 3PO4-3 + 3H+ = U(HPO4)3-2 - log_k 67.564 - delta_h -32.6352 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +U+4 + 3 PO4-3 + 3 H+ = U(HPO4)3-2 + log_k 67.564 + delta_h -32.6352 kJ + -gamma 0 0 # Id: 8915802 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -U+4 + 4PO4-3 + 4H+ = U(HPO4)4-4 - log_k 88.483 - delta_h -110.876 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +U+4 + 4 PO4-3 + 4 H+ = U(HPO4)4-4 + log_k 88.483 + delta_h -110.876 kJ + -gamma 0 0 # Id: 8915803 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: UO2+2 + H+ + PO4-3 = UO2HPO4 - log_k 19.655 - delta_h -8.7864 kJ - -gamma 0 0 + log_k 19.655 + delta_h -8.7864 kJ + -gamma 0 0 # Id: 8935800 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -UO2+2 + 2PO4-3 + 2H+ = UO2(HPO4)2-2 - log_k 42.988 - delta_h -47.6934 kJ - -gamma 0 0 +UO2+2 + 2 PO4-3 + 2 H+ = UO2(HPO4)2-2 + log_k 42.988 + delta_h -47.6934 kJ + -gamma 0 0 # Id: 8935801 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -UO2+2 + 2H+ + PO4-3 = UO2H2PO4+ - log_k 22.833 - delta_h -15.4808 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +UO2+2 + 2 H+ + PO4-3 = UO2H2PO4+ + log_k 22.833 + delta_h -15.4808 kJ + -gamma 0 0 # Id: 8935802 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -UO2+2 + 2PO4-3 + 4H+ = UO2(H2PO4)2 - log_k 44.7 - delta_h -69.036 kJ - -gamma 0 0 +UO2+2 + 2 PO4-3 + 4 H+ = UO2(H2PO4)2 + log_k 44.7 + delta_h -69.036 kJ + -gamma 0 0 # Id: 8935803 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -UO2+2 + 3PO4-3 + 6H+ = UO2(H2PO4)3- - log_k 66.245 - delta_h -119.662 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +UO2+2 + 3 PO4-3 + 6 H+ = UO2(H2PO4)3- + log_k 66.245 + delta_h -119.662 kJ + -gamma 0 0 # Id: 8935804 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: UO2+2 + PO4-3 = UO2PO4- - log_k 13.25 - delta_h 0 kJ - -gamma 0 0 + log_k 13.25 + delta_h 0 kJ + -gamma 0 0 # Id: 8935805 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Mg+2 + PO4-3 = MgPO4- - log_k 4.654 - delta_h 12.9704 kJ - -gamma 5.4 0 + log_k 4.654 + delta_h 12.9704 kJ + -gamma 5.4 0 # Id: 4605800 - # log K source: SCD3.02 (1993 GMa) - # Delta H source: MTQ3.11 + # log K source: SCD3.02 (1993 GMa) + # Delta H source: MTQ3.11 #T and ionic strength: 0.20 25.0 -Mg+2 + 2H+ + PO4-3 = MgH2PO4+ - log_k 21.2561 - delta_h -4.6861 kJ - -gamma 5.4 0 +Mg+2 + 2 H+ + PO4-3 = MgH2PO4+ + log_k 21.2561 + delta_h -4.6861 kJ + -gamma 5.4 0 # Id: 4605801 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 37.0 Mg+2 + H+ + PO4-3 = MgHPO4 - log_k 15.175 - delta_h -3 kJ - -gamma 0 0 + log_k 15.175 + delta_h -3 kJ + -gamma 0 0 # Id: 4605802 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Ca+2 + H+ + PO4-3 = CaHPO4 - log_k 15.035 - delta_h -3 kJ - -gamma 0 0 + log_k 15.035 + delta_h -3 kJ + -gamma 0 0 # Id: 1505800 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Ca+2 + PO4-3 = CaPO4- - log_k 6.46 - delta_h 12.9704 kJ - -gamma 5.4 0 + log_k 6.46 + delta_h 12.9704 kJ + -gamma 5.4 0 # Id: 1505801 - # log K source: SCD3.02 (1993 GMa) - # Delta H source: MTQ3.11 + # log K source: SCD3.02 (1993 GMa) + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Ca+2 + 2H+ + PO4-3 = CaH2PO4+ - log_k 20.923 - delta_h -6 kJ - -gamma 5.4 0 +Ca+2 + 2 H+ + PO4-3 = CaH2PO4+ + log_k 20.923 + delta_h -6 kJ + -gamma 5.4 0 # Id: 1505802 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Sr+2 + H+ + PO4-3 = SrHPO4 - log_k 14.8728 - delta_h 0 kJ - -gamma 0 0 + log_k 14.8728 + delta_h 0 kJ + -gamma 0 0 # Id: 8005800 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.10 25.0 -Sr+2 + 2H+ + PO4-3 = SrH2PO4+ - log_k 20.4019 - delta_h 0 kJ - -gamma 0 0 +Sr+2 + 2 H+ + PO4-3 = SrH2PO4+ + log_k 20.4019 + delta_h 0 kJ + -gamma 0 0 # Id: 8005801 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.10 20.0 Na+ + H+ + PO4-3 = NaHPO4- - log_k 13.445 - delta_h 0 kJ - -gamma 5.4 0 + log_k 13.445 + delta_h 0 kJ + -gamma 5.4 0 # Id: 5005800 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 K+ + H+ + PO4-3 = KHPO4- - log_k 13.255 - delta_h 0 kJ - -gamma 5.4 0 + log_k 13.255 + delta_h 0 kJ + -gamma 5.4 0 # Id: 4105800 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -H3AsO3 = AsO3-3 + 3H+ - log_k -34.744 - delta_h 84.726 kJ - -gamma 0 0 +H3AsO3 = AsO3-3 + 3 H+ + log_k -34.744 + delta_h 84.726 kJ + -gamma 0 0 # Id: 3300602 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -H3AsO3 = HAsO3-2 + 2H+ - log_k -21.33 - delta_h 59.4086 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +H3AsO3 = HAsO3-2 + 2 H+ + log_k -21.33 + delta_h 59.4086 kJ + -gamma 0 0 # Id: 3300601 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: H3AsO3 = H2AsO3- + H+ - log_k -9.29 - delta_h 27.41 kJ - -gamma 0 0 + log_k -9.29 + delta_h 27.41 kJ + -gamma 0 0 # Id: 3300600 - # log K source: NIST46.4 - # Delta H source: NIST2.1.1 + # log K source: NIST46.4 + # Delta H source: NIST2.1.1 #T and ionic strength: 0.00 25.0 H3AsO3 + H+ = H4AsO3+ - log_k -0.305 - delta_h 0 kJ - -gamma 0 0 + log_k -0.305 + delta_h 0 kJ + -gamma 0 0 # Id: 3300603 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -H3AsO4 = AsO4-3 + 3H+ - log_k -20.7 - delta_h 12.9 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +H3AsO4 = AsO4-3 + 3 H+ + log_k -20.7 + delta_h 12.9 kJ + -gamma 0 0 # Id: 3300613 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -H3AsO4 = HAsO4-2 + 2H+ - log_k -9.2 - delta_h -4.1 kJ - -gamma 0 0 +H3AsO4 = HAsO4-2 + 2 H+ + log_k -9.2 + delta_h -4.1 kJ + -gamma 0 0 # Id: 3300612 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 H3AsO4 = H2AsO4- + H+ - log_k -2.24 - delta_h -7.1 kJ - -gamma 0 0 + log_k -2.24 + delta_h -7.1 kJ + -gamma 0 0 # Id: 3300611 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Sb(OH)3 + H2O = Sb(OH)4- + H+ - log_k -12.0429 - delta_h 69.8519 kJ - -gamma 0 0 + log_k -12.0429 + delta_h 69.8519 kJ + -gamma 0 0 # Id: 7400020 - # log K source: PNL89 - # Delta H source: PNL89 - #T and ionic strength: + # log K source: PNL89 + # Delta H source: PNL89 + #T and ionic strength: Sb(OH)3 + H+ = Sb(OH)2+ + H2O - log_k 1.3853 - delta_h 0 kJ - -gamma 0 0 + log_k 1.3853 + delta_h 0 kJ + -gamma 0 0 # Id: 7403302 - # log K source: PNL89 - # Delta H source: PNL89 - #T and ionic strength: + # log K source: PNL89 + # Delta H source: PNL89 + #T and ionic strength: Sb(OH)3 = HSbO2 + H2O - log_k -0.0105 - delta_h -0.13 kJ - -gamma 0 0 + log_k -0.0105 + delta_h -0.13 kJ + -gamma 0 0 # Id: 7400021 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: Sb(OH)3 = SbO2- + H2O + H+ - log_k -11.8011 - delta_h 70.1866 kJ - -gamma 0 0 + log_k -11.8011 + delta_h 70.1866 kJ + -gamma 0 0 # Id: 7403301 - # log K source: PNL89 - # Delta H source: PNL89 - #T and ionic strength: -Sb(OH)3 + H+ = SbO+ + 2H2O - log_k 0.9228 - delta_h 8.2425 kJ - -gamma 0 0 + # log K source: PNL89 + # Delta H source: PNL89 + #T and ionic strength: +Sb(OH)3 + H+ = SbO+ + 2 H2O + log_k 0.9228 + delta_h 8.2425 kJ + -gamma 0 0 # Id: 7403300 - # log K source: PNL89 - # Delta H source: PNL89 - #T and ionic strength: -Sb(OH)6- = SbO3- + 3H2O - log_k 2.9319 - delta_h 0 kJ - -gamma 0 0 + # log K source: PNL89 + # Delta H source: PNL89 + #T and ionic strength: +Sb(OH)6- = SbO3- + 3 H2O + log_k 2.9319 + delta_h 0 kJ + -gamma 0 0 # Id: 7410021 - # log K source: PNL89 - # Delta H source: PNL89 - #T and ionic strength: -Sb(OH)6- + 2H+ = SbO2+ + 4H2O - log_k 2.3895 - delta_h 0 kJ - -gamma 0 0 + # log K source: PNL89 + # Delta H source: PNL89 + #T and ionic strength: +Sb(OH)6- + 2 H+ = SbO2+ + 4 H2O + log_k 2.3895 + delta_h 0 kJ + -gamma 0 0 # Id: 7413300 - # log K source: PNL89 - # Delta H source: PNL89 - #T and ionic strength: + # log K source: PNL89 + # Delta H source: PNL89 + #T and ionic strength: H+ + CO3-2 = HCO3- - log_k 10.329 - delta_h -14.6 kJ - -gamma 5.4 0 + log_k 10.329 + delta_h -14.6 kJ + -gamma 5.4 0 # Id: 3301400 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -2H+ + CO3-2 = H2CO3 - log_k 16.681 - delta_h -23.76 kJ - -gamma 0 0 +2 H+ + CO3-2 = H2CO3 + log_k 16.681 + delta_h -23.76 kJ + -gamma 0 0 # Id: 3301401 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Pb+2 + 2CO3-2 = Pb(CO3)2-2 - log_k 9.938 - delta_h 0 kJ - -gamma 0 0 +Pb+2 + 2 CO3-2 = Pb(CO3)2-2 + log_k 9.938 + delta_h 0 kJ + -gamma 0 0 # Id: 6001400 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.50 25.0 Pb+2 + CO3-2 = PbCO3 - log_k 6.478 - delta_h 0 kJ - -gamma 0 0 + log_k 6.478 + delta_h 0 kJ + -gamma 0 0 # Id: 6001401 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.50 25.0 Pb+2 + CO3-2 + H+ = PbHCO3+ - log_k 13.2 - delta_h 0 kJ - -gamma 0 0 + log_k 13.2 + delta_h 0 kJ + -gamma 0 0 # Id: 6001402 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: Zn+2 + CO3-2 = ZnCO3 - log_k 4.76 - delta_h 0 kJ - -gamma 0 0 + log_k 4.76 + delta_h 0 kJ + -gamma 0 0 # Id: 9501401 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Zn+2 + H+ + CO3-2 = ZnHCO3+ - log_k 11.829 - delta_h 0 kJ - -gamma 0 0 + log_k 11.829 + delta_h 0 kJ + -gamma 0 0 # Id: 9501400 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Hg(OH)2 + 2H+ + CO3-2 = HgCO3 + 2H2O - log_k 18.272 - delta_h 0 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + CO3-2 = HgCO3 + 2 H2O + log_k 18.272 + delta_h 0 kJ + -gamma 0 0 # Id: 3611401 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.50 25.0 -Hg(OH)2 + 2H+ + 2CO3-2 = Hg(CO3)2-2 + 2H2O - log_k 21.772 - delta_h 0 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + 2 CO3-2 = Hg(CO3)2-2 + 2 H2O + log_k 21.772 + delta_h 0 kJ + -gamma 0 0 # Id: 3611402 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.50 25.0 -Hg(OH)2 + 3H+ + CO3-2 = HgHCO3+ + 2H2O - log_k 22.542 - delta_h 0 kJ - -gamma 0 0 +Hg(OH)2 + 3 H+ + CO3-2 = HgHCO3+ + 2 H2O + log_k 22.542 + delta_h 0 kJ + -gamma 0 0 # Id: 3611403 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.50 25.0 Cd+2 + CO3-2 = CdCO3 - log_k 4.3578 - delta_h 0 kJ - -gamma 0 0 + log_k 4.3578 + delta_h 0 kJ + -gamma 0 0 # Id: 1601401 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.10 25.0 Cd+2 + H+ + CO3-2 = CdHCO3+ - log_k 10.6863 - delta_h 0 kJ - -gamma 0 0 + log_k 10.6863 + delta_h 0 kJ + -gamma 0 0 # Id: 1601400 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 3.00 25.0 -Cd+2 + 2CO3-2 = Cd(CO3)2-2 - log_k 7.2278 - delta_h 0 kJ - -gamma 0 0 +Cd+2 + 2 CO3-2 = Cd(CO3)2-2 + log_k 7.2278 + delta_h 0 kJ + -gamma 0 0 # Id: 1601403 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.10 20.0 Cu+2 + CO3-2 = CuCO3 - log_k 6.77 - delta_h 0 kJ - -gamma 0 0 + log_k 6.77 + delta_h 0 kJ + -gamma 0 0 # Id: 2311400 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Cu+2 + H+ + CO3-2 = CuHCO3+ - log_k 12.129 - delta_h 0 kJ - -gamma 0 0 + log_k 12.129 + delta_h 0 kJ + -gamma 0 0 # Id: 2311402 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Cu+2 + 2CO3-2 = Cu(CO3)2-2 - log_k 10.2 - delta_h 0 kJ - -gamma 0 0 +Cu+2 + 2 CO3-2 = Cu(CO3)2-2 + log_k 10.2 + delta_h 0 kJ + -gamma 0 0 # Id: 2311401 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Ni+2 + CO3-2 = NiCO3 - log_k 4.5718 - delta_h 0 kJ - -gamma 0 0 + log_k 4.5718 + delta_h 0 kJ + -gamma 0 0 # Id: 5401401 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.70 25.0 Ni+2 + H+ + CO3-2 = NiHCO3+ - log_k 12.4199 - delta_h 0 kJ - -gamma 0 0 + log_k 12.4199 + delta_h 0 kJ + -gamma 0 0 # Id: 5401400 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.70 25.0 Co+2 + CO3-2 = CoCO3 - log_k 4.228 - delta_h 0 kJ - -gamma 0 0 + log_k 4.228 + delta_h 0 kJ + -gamma 0 0 # Id: 2001400 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.50 25.0 Co+2 + H+ + CO3-2 = CoHCO3+ - log_k 12.2199 - delta_h 0 kJ - -gamma 0 0 + log_k 12.2199 + delta_h 0 kJ + -gamma 0 0 # Id: 2001401 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.70 25.0 Fe+2 + H+ + CO3-2 = FeHCO3+ - log_k 11.429 - delta_h 0 kJ - -gamma 6 0 + log_k 11.429 + delta_h 0 kJ + -gamma 6 0 # Id: 2801400 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Mn+2 + H+ + CO3-2 = MnHCO3+ - log_k 11.629 - delta_h -10.6 kJ - -gamma 5 0 + log_k 11.629 + delta_h -10.6 kJ + -gamma 5 0 # Id: 4701400 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 UO2+2 + CO3-2 = UO2CO3 - log_k 9.6 - delta_h 4 kJ - -gamma 0 0 + log_k 9.6 + delta_h 4 kJ + -gamma 0 0 # Id: 8931400 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -UO2+2 + 2CO3-2 = UO2(CO3)2-2 - log_k 16.9 - delta_h 16 kJ - -gamma 0 0 +UO2+2 + 2 CO3-2 = UO2(CO3)2-2 + log_k 16.9 + delta_h 16 kJ + -gamma 0 0 # Id: 8931401 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -UO2+2 + 3CO3-2 = UO2(CO3)3-4 - log_k 21.6 - delta_h -40 kJ - -gamma 0 0 +UO2+2 + 3 CO3-2 = UO2(CO3)3-4 + log_k 21.6 + delta_h -40 kJ + -gamma 0 0 # Id: 8931402 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Be+2 + CO3-2 = BeCO3 - log_k 6.2546 - delta_h 0 kJ - -gamma 0 0 + log_k 6.2546 + delta_h 0 kJ + -gamma 0 0 # Id: 1101401 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 3.00 25.0 Mg+2 + CO3-2 = MgCO3 - log_k 2.92 - delta_h 12 kJ - -gamma 0 0 + log_k 2.92 + delta_h 12 kJ + -gamma 0 0 # Id: 4601400 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Mg+2 + H+ + CO3-2 = MgHCO3+ - log_k 11.339 - delta_h -10.6 kJ - -gamma 4 0 + log_k 11.339 + delta_h -10.6 kJ + -gamma 4 0 # Id: 4601401 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Ca+2 + H+ + CO3-2 = CaHCO3+ - log_k 11.599 - delta_h 5.4 kJ - -gamma 6 0 + log_k 11.599 + delta_h 5.4 kJ + -gamma 6 0 # Id: 1501400 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 CO3-2 + Ca+2 = CaCO3 - log_k 3.2 - delta_h 16 kJ - -gamma 0 0 + log_k 3.2 + delta_h 16 kJ + -gamma 0 0 # Id: 1501401 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Sr+2 + CO3-2 = SrCO3 - log_k 2.81 - delta_h 20 kJ - -gamma 0 0 + log_k 2.81 + delta_h 20 kJ + -gamma 0 0 # Id: 8001401 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Sr+2 + H+ + CO3-2 = SrHCO3+ - log_k 11.539 - delta_h 10.4 kJ - -gamma 6 0 + log_k 11.539 + delta_h 10.4 kJ + -gamma 6 0 # Id: 8001400 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Ba+2 + CO3-2 = BaCO3 - log_k 2.71 - delta_h 16 kJ - -gamma 0 0 + log_k 2.71 + delta_h 16 kJ + -gamma 0 0 # Id: 1001401 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Ba+2 + H+ + CO3-2 = BaHCO3+ - log_k 11.309 - delta_h 10.4 kJ - -gamma 6 0 + log_k 11.309 + delta_h 10.4 kJ + -gamma 6 0 # Id: 1001400 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Na+ + CO3-2 = NaCO3- - log_k 1.27 - delta_h -20.35 kJ - -gamma 5.4 0 + log_k 1.27 + delta_h -20.35 kJ + -gamma 5.4 0 # Id: 5001400 - # log K source: NIST46.3 - # Delta H source: NIST2.1.1 + # log K source: NIST46.3 + # Delta H source: NIST2.1.1 #T and ionic strength: 0.00 25.0 Na+ + H+ + CO3-2 = NaHCO3 - log_k 10.079 - delta_h -28.3301 kJ - -gamma 0 0 + log_k 10.079 + delta_h -28.3301 kJ + -gamma 0 0 # Id: 5001401 - # log K source: NIST46.3 - # Delta H source: NIST2.1.1 + # log K source: NIST46.3 + # Delta H source: NIST2.1.1 #T and ionic strength: 0.00 25.0 -H4SiO4 = H2SiO4-2 + 2H+ - log_k -23.04 - delta_h 61 kJ - -gamma 5.4 0 +H4SiO4 = H2SiO4-2 + 2 H+ + log_k -23.04 + delta_h 61 kJ + -gamma 5.4 0 # Id: 3307701 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 H4SiO4 = H3SiO4- + H+ - log_k -9.84 - delta_h 20 kJ - -gamma 4 0 + log_k -9.84 + delta_h 20 kJ + -gamma 4 0 # Id: 3307700 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 UO2+2 + H4SiO4 = UO2H3SiO4+ + H+ - log_k -1.9111 - delta_h 0 kJ - -gamma 0 0 + log_k -1.9111 + delta_h 0 kJ + -gamma 0 0 # Id: 8937700 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.10 25.0 H3BO3 = H2BO3- + H+ - log_k -9.236 - delta_h 13 kJ - -gamma 2.5 0 + log_k -9.236 + delta_h 13 kJ + -gamma 2.5 0 # Id: 3300900 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -2H3BO3 = H5(BO3)2- + H+ - log_k -9.306 - delta_h 8.4 kJ - -gamma 2.5 0 +2 H3BO3 = H5(BO3)2- + H+ + log_k -9.306 + delta_h 8.4 kJ + -gamma 2.5 0 # Id: 3300901 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -3H3BO3 = H8(BO3)3- + H+ - log_k -7.306 - delta_h 29.4 kJ - -gamma 2.5 0 +3 H3BO3 = H8(BO3)3- + H+ + log_k -7.306 + delta_h 29.4 kJ + -gamma 2.5 0 # Id: 3300902 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Ag+ + H3BO3 = AgH2BO3 + H+ - log_k -8.036 - delta_h 0 kJ - -gamma 2.5 0 + log_k -8.036 + delta_h 0 kJ + -gamma 2.5 0 # Id: 200901 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Mg+2 + H3BO3 = MgH2BO3+ + H+ - log_k -7.696 - delta_h 13 kJ - -gamma 2.5 0 + log_k -7.696 + delta_h 13 kJ + -gamma 2.5 0 # Id: 4600901 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Ca+2 + H3BO3 = CaH2BO3+ + H+ - log_k -7.476 - delta_h 17 kJ - -gamma 2.5 0 + log_k -7.476 + delta_h 17 kJ + -gamma 2.5 0 # Id: 1500901 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Sr+2 + H3BO3 = SrH2BO3+ + H+ - log_k -7.686 - delta_h 17 kJ - -gamma 2.5 0 + log_k -7.686 + delta_h 17 kJ + -gamma 2.5 0 # Id: 8000901 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Ba+2 + H3BO3 = BaH2BO3+ + H+ - log_k -7.746 - delta_h 17 kJ - -gamma 2.5 0 + log_k -7.746 + delta_h 17 kJ + -gamma 2.5 0 # Id: 1000901 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Na+ + H3BO3 = NaH2BO3 + H+ - log_k -9.036 - delta_h 0 kJ - -gamma 2.5 0 + log_k -9.036 + delta_h 0 kJ + -gamma 2.5 0 # Id: 5000901 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 CrO4-2 + H+ = HCrO4- - log_k 6.51 - delta_h 2 kJ - -gamma 0 0 + log_k 6.51 + delta_h 2 kJ + -gamma 0 0 # Id: 2123300 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -CrO4-2 + 2H+ = H2CrO4 - log_k 6.4188 - delta_h 39 kJ - -gamma 0 0 +CrO4-2 + 2 H+ = H2CrO4 + log_k 6.4188 + delta_h 39 kJ + -gamma 0 0 # Id: 2123301 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 20.0 -2CrO4-2 + 2H+ = Cr2O7-2 + H2O - log_k 14.56 - delta_h -15 kJ - -gamma 0 0 +2 CrO4-2 + 2 H+ = Cr2O7-2 + H2O + log_k 14.56 + delta_h -15 kJ + -gamma 0 0 # Id: 2123302 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -CrO4-2 + Cl- + 2H+ = CrO3Cl- + H2O - log_k 7.3086 - delta_h 0 kJ - -gamma 0 0 +CrO4-2 + Cl- + 2 H+ = CrO3Cl- + H2O + log_k 7.3086 + delta_h 0 kJ + -gamma 0 0 # Id: 2121800 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -CrO4-2 + SO4-2 + 2H+ = CrO3SO4-2 + H2O - log_k 8.9937 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +CrO4-2 + SO4-2 + 2 H+ = CrO3SO4-2 + H2O + log_k 8.9937 + delta_h 0 kJ + -gamma 0 0 # Id: 2127320 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -CrO4-2 + 4H+ + PO4-3 = CrO3H2PO4- + H2O - log_k 29.3634 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +CrO4-2 + 4 H+ + PO4-3 = CrO3H2PO4- + H2O + log_k 29.3634 + delta_h 0 kJ + -gamma 0 0 # Id: 2125800 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -CrO4-2 + 3H+ + PO4-3 = CrO3HPO4-2 + H2O - log_k 26.6806 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +CrO4-2 + 3 H+ + PO4-3 = CrO3HPO4-2 + H2O + log_k 26.6806 + delta_h 0 kJ + -gamma 0 0 # Id: 2125801 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: CrO4-2 + Na+ = NaCrO4- - log_k 0.6963 - delta_h 0 kJ - -gamma 0 0 + log_k 0.6963 + delta_h 0 kJ + -gamma 0 0 # Id: 5002120 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: K+ + CrO4-2 = KCrO4- - log_k 0.57 - delta_h 0 kJ - -gamma 0 0 + log_k 0.57 + delta_h 0 kJ + -gamma 0 0 # Id: 4102120 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 18.0 MoO4-2 + H+ = HMoO4- - log_k 4.2988 - delta_h 20 kJ - -gamma 0 0 + log_k 4.2988 + delta_h 20 kJ + -gamma 0 0 # Id: 3304801 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 20.0 -MoO4-2 + 2H+ = H2MoO4 - log_k 8.1636 - delta_h -26 kJ - -gamma 0 0 +MoO4-2 + 2 H+ = H2MoO4 + log_k 8.1636 + delta_h -26 kJ + -gamma 0 0 # Id: 3304802 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 20.0 -7MoO4-2 + 8H+ = Mo7O24-6 + 4H2O - log_k 52.99 - delta_h -228 kJ - -gamma 0 0 +7 MoO4-2 + 8 H+ = Mo7O24-6 + 4 H2O + log_k 52.99 + delta_h -228 kJ + -gamma 0 0 # Id: 3304803 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 -7MoO4-2 + 9H+ = HMo7O24-5 + 4H2O - log_k 59.3768 - delta_h -218 kJ - -gamma 0 0 +7 MoO4-2 + 9 H+ = HMo7O24-5 + 4 H2O + log_k 59.3768 + delta_h -218 kJ + -gamma 0 0 # Id: 3304804 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 -7MoO4-2 + 10H+ = H2Mo7O24-4 + 4H2O - log_k 64.159 - delta_h -215 kJ - -gamma 0 0 +7 MoO4-2 + 10 H+ = H2Mo7O24-4 + 4 H2O + log_k 64.159 + delta_h -215 kJ + -gamma 0 0 # Id: 3304805 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 -7MoO4-2 + 11H+ = H3Mo7O24-3 + 4H2O - log_k 67.405 - delta_h -217 kJ - -gamma 0 0 +7 MoO4-2 + 11 H+ = H3Mo7O24-3 + 4 H2O + log_k 67.405 + delta_h -217 kJ + -gamma 0 0 # Id: 3304806 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 1.00 25.0 -6MoO4-2 + Al+3 + 6H+ = AlMo6O21-3 + 3H2O - log_k 54.9925 - delta_h 0 kJ - -gamma 0 0 +6 MoO4-2 + Al+3 + 6 H+ = AlMo6O21-3 + 3 H2O + log_k 54.9925 + delta_h 0 kJ + -gamma 0 0 # Id: 304801 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.50 25.0 -MoO4-2 + 2Ag+ = Ag2MoO4 - log_k -0.4219 - delta_h -1.18 kJ - -gamma 0 0 +MoO4-2 + 2 Ag+ = Ag2MoO4 + log_k -0.4219 + delta_h -1.18 kJ + -gamma 0 0 # Id: 204801 - # log K source: Bard85 - # Delta H source: Bard85 - #T and ionic strength: -VO2+ + 2H2O = VO4-3 + 4H+ - log_k -30.2 - delta_h -25 kJ - -gamma 0 0 + # log K source: Bard85 + # Delta H source: Bard85 + #T and ionic strength: +VO2+ + 2 H2O = VO4-3 + 4 H+ + log_k -30.2 + delta_h -25 kJ + -gamma 0 0 # Id: 9033303 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -VO2+ + 2H2O = HVO4-2 + 3H+ - log_k -15.9 - delta_h 0 kJ - -gamma 0 0 +VO2+ + 2 H2O = HVO4-2 + 3 H+ + log_k -15.9 + delta_h 0 kJ + -gamma 0 0 # Id: 9033302 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -VO2+ + 2H2O = H2VO4- + 2H+ - log_k -7.3 - delta_h 0 kJ - -gamma 0 0 +VO2+ + 2 H2O = H2VO4- + 2 H+ + log_k -7.3 + delta_h 0 kJ + -gamma 0 0 # Id: 9033301 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -VO2+ + 2H2O = H3VO4 + H+ - log_k -3.3 - delta_h 44.4759 kJ - -gamma 0 0 +VO2+ + 2 H2O = H3VO4 + H+ + log_k -3.3 + delta_h 44.4759 kJ + -gamma 0 0 # Id: 9033300 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -2VO2+ + 3H2O = V2O7-4 + 6H+ - log_k -31.24 - delta_h -28 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +2 VO2+ + 3 H2O = V2O7-4 + 6 H+ + log_k -31.24 + delta_h -28 kJ + -gamma 0 0 # Id: 9030020 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -2VO2+ + 3H2O = HV2O7-3 + 5H+ - log_k -20.67 - delta_h 0 kJ - -gamma 0 0 +2 VO2+ + 3 H2O = HV2O7-3 + 5 H+ + log_k -20.67 + delta_h 0 kJ + -gamma 0 0 # Id: 9030021 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -2VO2+ + 3H2O = H3V2O7- + 3H+ - log_k -3.79 - delta_h 0 kJ - -gamma 0 0 +2 VO2+ + 3 H2O = H3V2O7- + 3 H+ + log_k -3.79 + delta_h 0 kJ + -gamma 0 0 # Id: 9030022 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -3VO2+ + 3H2O = V3O9-3 + 6H+ - log_k -15.88 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +3 VO2+ + 3 H2O = V3O9-3 + 6 H+ + log_k -15.88 + delta_h 0 kJ + -gamma 0 0 # Id: 9030023 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -4VO2+ + 4H2O = V4O12-4 + 8H+ - log_k -20.56 - delta_h -87 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +4 VO2+ + 4 H2O = V4O12-4 + 8 H+ + log_k -20.56 + delta_h -87 kJ + -gamma 0 0 # Id: 9030024 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -10VO2+ + 8H2O = V10O28-6 + 16H+ - log_k -24.0943 - delta_h 0 kJ - -gamma 0 0 +10 VO2+ + 8 H2O = V10O28-6 + 16 H+ + log_k -24.0943 + delta_h 0 kJ + -gamma 0 0 # Id: 9030025 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.10 20.0 -10VO2+ + 8H2O = HV10O28-5 + 15H+ - log_k -15.9076 - delta_h 90.0397 kJ - -gamma 0 0 +10 VO2+ + 8 H2O = HV10O28-5 + 15 H+ + log_k -15.9076 + delta_h 90.0397 kJ + -gamma 0 0 # Id: 9030026 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.10 20.0 -10VO2+ + 8H2O = H2V10O28-4 + 14H+ - log_k -10.7 - delta_h 0 kJ - -gamma 0 0 +10 VO2+ + 8 H2O = H2V10O28-4 + 14 H+ + log_k -10.7 + delta_h 0 kJ + -gamma 0 0 # Id: 9030027 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Benzoate- + H+ = H(Benzoate) - log_k 4.202 - delta_h -0.4602 kJ - -gamma 0 0 + log_k 4.202 + delta_h -0.4602 kJ + -gamma 0 0 # Id: 3309171 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Benzoate- + Pb+2 = Pb(Benzoate)+ - log_k 2.4 - delta_h 0 kJ - -gamma 0 0 + log_k 2.4 + delta_h 0 kJ + -gamma 0 0 # Id: 6009171 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Benzoate- + Al+3 = Al(Benzoate)+2 - log_k 2.05 - delta_h 0 kJ - -gamma 0 0 + log_k 2.05 + delta_h 0 kJ + -gamma 0 0 # Id: 309171 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Benzoate- + Al+3 + H2O = AlOH(Benzoate)+ + H+ - log_k -0.56 - delta_h 0 kJ - -gamma 0 0 + log_k -0.56 + delta_h 0 kJ + -gamma 0 0 # Id: 309172 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Benzoate- + Zn+2 = Zn(Benzoate)+ - log_k 1.7 - delta_h 0 kJ - -gamma 0 0 + log_k 1.7 + delta_h 0 kJ + -gamma 0 0 # Id: 9509171 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Benzoate- + Cd+2 = Cd(Benzoate)+ - log_k 1.8 - delta_h 0 kJ - -gamma 0 0 + log_k 1.8 + delta_h 0 kJ + -gamma 0 0 # Id: 1609171 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -2Benzoate- + Cd+2 = Cd(Benzoate)2 - log_k 1.82 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +2 Benzoate- + Cd+2 = Cd(Benzoate)2 + log_k 1.82 + delta_h 0 kJ + -gamma 0 0 # Id: 1609172 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Benzoate- + Cu+2 = Cu(Benzoate)+ - log_k 2.19 - delta_h 0 kJ - -gamma 0 0 + log_k 2.19 + delta_h 0 kJ + -gamma 0 0 # Id: 2319171 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Benzoate- + Ag+ = Ag(Benzoate) - log_k 0.91 - delta_h 0 kJ - -gamma 0 0 + log_k 0.91 + delta_h 0 kJ + -gamma 0 0 # Id: 209171 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Benzoate- + Ni+2 = Ni(Benzoate)+ - log_k 1.86 - delta_h 0 kJ - -gamma 0 0 + log_k 1.86 + delta_h 0 kJ + -gamma 0 0 # Id: 5409171 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Co+2 + Benzoate- = Co(Benzoate)+ - log_k 1.0537 - delta_h 12 kJ - -gamma 0 0 + log_k 1.0537 + delta_h 12 kJ + -gamma 0 0 # Id: 2009171 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.50 30.0 Benzoate- + Mn+2 = Mn(Benzoate)+ - log_k 2.06 - delta_h 0 kJ - -gamma 0 0 + log_k 2.06 + delta_h 0 kJ + -gamma 0 0 # Id: 4709171 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Benzoate- + Mg+2 = Mg(Benzoate)+ - log_k 1.26 - delta_h 0 kJ - -gamma 0 0 + log_k 1.26 + delta_h 0 kJ + -gamma 0 0 # Id: 4609171 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Benzoate- + Ca+2 = Ca(Benzoate)+ - log_k 1.55 - delta_h 0 kJ - -gamma 0 0 + log_k 1.55 + delta_h 0 kJ + -gamma 0 0 # Id: 1509171 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Phenylacetate- + H+ = H(Phenylacetate) - log_k 4.31 - delta_h 2.1757 kJ - -gamma 0 0 + log_k 4.31 + delta_h 2.1757 kJ + -gamma 0 0 # Id: 3309181 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Phenylacetate- + Zn+2 = Zn(Phenylacetate)+ - log_k 1.57 - delta_h 0 kJ - -gamma 0 0 + log_k 1.57 + delta_h 0 kJ + -gamma 0 0 # Id: 9509181 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Phenylacetate- + Cu+2 = Cu(Phenylacetate)+ - log_k 1.97 - delta_h 0 kJ - -gamma 0 0 + log_k 1.97 + delta_h 0 kJ + -gamma 0 0 # Id: 2319181 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Co+2 + Phenylacetate- = Co(Phenylacetate)+ - log_k 0.591 - delta_h 0 kJ - -gamma 0 0 + log_k 0.591 + delta_h 0 kJ + -gamma 0 0 # Id: 2009181 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 2.00 25.0 -Co+2 + 2Phenylacetate- = Co(Phenylacetate)2 - log_k 0.4765 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 2 Phenylacetate- = Co(Phenylacetate)2 + log_k 0.4765 + delta_h 0 kJ + -gamma 0 0 # Id: 2009182 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 2.00 25.0 Isophthalate-2 + H+ = H(Isophthalate)- - log_k 4.5 - delta_h 1.6736 kJ - -gamma 0 0 + log_k 4.5 + delta_h 1.6736 kJ + -gamma 0 0 # Id: 3309201 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Isophthalate-2 + 2H+ = H2(Isophthalate) - log_k 8 - delta_h 1.6736 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Isophthalate-2 + 2 H+ = H2(Isophthalate) + log_k 8 + delta_h 1.6736 kJ + -gamma 0 0 # Id: 3309202 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Isophthalate-2 + Pb+2 = Pb(Isophthalate) - log_k 2.99 - delta_h 0 kJ - -gamma 0 0 + log_k 2.99 + delta_h 0 kJ + -gamma 0 0 # Id: 6009201 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -2Isophthalate-2 + Pb+2 = Pb(Isophthalate)2-2 - log_k 4.18 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +2 Isophthalate-2 + Pb+2 = Pb(Isophthalate)2-2 + log_k 4.18 + delta_h 0 kJ + -gamma 0 0 # Id: 6009202 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Isophthalate-2 + Pb+2 + H+ = PbH(Isophthalate)+ - log_k 6.69 - delta_h 0 kJ - -gamma 0 0 + log_k 6.69 + delta_h 0 kJ + -gamma 0 0 # Id: 6009203 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Isophthalate-2 + Cd+2 = Cd(Isophthalate) - log_k 2.15 - delta_h 0 kJ - -gamma 0 0 + log_k 2.15 + delta_h 0 kJ + -gamma 0 0 # Id: 1609201 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -2Isophthalate-2 + Cd+2 = Cd(Isophthalate)2-2 - log_k 2.99 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +2 Isophthalate-2 + Cd+2 = Cd(Isophthalate)2-2 + log_k 2.99 + delta_h 0 kJ + -gamma 0 0 # Id: 1609202 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Isophthalate-2 + Cd+2 + H+ = CdH(Isophthalate)+ - log_k 5.73 - delta_h 0 kJ - -gamma 0 0 + log_k 5.73 + delta_h 0 kJ + -gamma 0 0 # Id: 1609203 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Isophthalate-2 + Ca+2 = Ca(Isophthalate) - log_k 2 - delta_h 0 kJ - -gamma 0 0 + log_k 2 + delta_h 0 kJ + -gamma 0 0 # Id: 1509200 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Isophthalate-2 + Ba+2 = Ba(Isophthalate) - log_k 1.55 - delta_h 0 kJ - -gamma 0 0 + log_k 1.55 + delta_h 0 kJ + -gamma 0 0 # Id: 1009201 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: H+ + Diethylamine = H(Diethylamine)+ - log_k 10.933 - delta_h -53.1368 kJ - -gamma 0 0 + log_k 10.933 + delta_h -53.1368 kJ + -gamma 0 0 # Id: 3309551 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Diethylamine = Zn(Diethylamine)+2 - log_k 2.74 - delta_h 0 kJ - -gamma 0 0 + log_k 2.74 + delta_h 0 kJ + -gamma 0 0 # Id: 9509551 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Zn+2 + 2Diethylamine = Zn(Diethylamine)2+2 - log_k 5.27 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Zn+2 + 2 Diethylamine = Zn(Diethylamine)2+2 + log_k 5.27 + delta_h 0 kJ + -gamma 0 0 # Id: 9509552 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Zn+2 + 3Diethylamine = Zn(Diethylamine)3+2 - log_k 7.71 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Zn+2 + 3 Diethylamine = Zn(Diethylamine)3+2 + log_k 7.71 + delta_h 0 kJ + -gamma 0 0 # Id: 9509553 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Zn+2 + 4Diethylamine = Zn(Diethylamine)4+2 - log_k 9.84 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Zn+2 + 4 Diethylamine = Zn(Diethylamine)4+2 + log_k 9.84 + delta_h 0 kJ + -gamma 0 0 # Id: 9509554 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Cd+2 + Diethylamine = Cd(Diethylamine)+2 - log_k 2.73 - delta_h 0 kJ - -gamma 0 0 + log_k 2.73 + delta_h 0 kJ + -gamma 0 0 # Id: 1609551 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cd+2 + 2Diethylamine = Cd(Diethylamine)2+2 - log_k 4.86 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cd+2 + 2 Diethylamine = Cd(Diethylamine)2+2 + log_k 4.86 + delta_h 0 kJ + -gamma 0 0 # Id: 1609552 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cd+2 + 3Diethylamine = Cd(Diethylamine)3+2 - log_k 6.37 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cd+2 + 3 Diethylamine = Cd(Diethylamine)3+2 + log_k 6.37 + delta_h 0 kJ + -gamma 0 0 # Id: 1609553 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cd+2 + 4Diethylamine = Cd(Diethylamine)4+2 - log_k 7.32 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cd+2 + 4 Diethylamine = Cd(Diethylamine)4+2 + log_k 7.32 + delta_h 0 kJ + -gamma 0 0 # Id: 1609554 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Ag+ + Diethylamine = Ag(Diethylamine)+ - log_k 2.98 - delta_h 0 kJ - -gamma 0 0 + log_k 2.98 + delta_h 0 kJ + -gamma 0 0 # Id: 209551 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ag+ + 2Diethylamine = Ag(Diethylamine)2+ - log_k 6.38 - delta_h -44.7688 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ag+ + 2 Diethylamine = Ag(Diethylamine)2+ + log_k 6.38 + delta_h -44.7688 kJ + -gamma 0 0 # Id: 209552 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Diethylamine = Ni(Diethylamine)+2 - log_k 2.78 - delta_h 0 kJ - -gamma 0 0 + log_k 2.78 + delta_h 0 kJ + -gamma 0 0 # Id: 5409551 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Ni+2 + 2Diethylamine = Ni(Diethylamine)2+2 - log_k 4.97 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Ni+2 + 2 Diethylamine = Ni(Diethylamine)2+2 + log_k 4.97 + delta_h 0 kJ + -gamma 0 0 # Id: 5409552 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Ni+2 + 3Diethylamine = Ni(Diethylamine)3+2 - log_k 6.72 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Ni+2 + 3 Diethylamine = Ni(Diethylamine)3+2 + log_k 6.72 + delta_h 0 kJ + -gamma 0 0 # Id: 5409553 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Ni+2 + 4Diethylamine = Ni(Diethylamine)4+2 - log_k 7.93 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Ni+2 + 4 Diethylamine = Ni(Diethylamine)4+2 + log_k 7.93 + delta_h 0 kJ + -gamma 0 0 # Id: 5409554 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Ni+2 + 5Diethylamine = Ni(Diethylamine)5+2 - log_k 8.87 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Ni+2 + 5 Diethylamine = Ni(Diethylamine)5+2 + log_k 8.87 + delta_h 0 kJ + -gamma 0 0 # Id: 5409555 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: H+ + Butylamine = H(Butylamine)+ - log_k 10.64 - delta_h -58.2831 kJ - -gamma 0 0 + log_k 10.64 + delta_h -58.2831 kJ + -gamma 0 0 # Id: 3309561 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Hg(OH)2 + Butylamine + 2H+ = Hg(Butylamine)+2 + 2H2O - log_k 14.84 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Hg(OH)2 + Butylamine + 2 H+ = Hg(Butylamine)+2 + 2 H2O + log_k 14.84 + delta_h 0 kJ + -gamma 0 0 # Id: 3619561 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Hg(OH)2 + 2Butylamine + 2H+ = Hg(Butylamine)2+2 + 2H2O - log_k 24.24 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Hg(OH)2 + 2 Butylamine + 2 H+ = Hg(Butylamine)2+2 + 2 H2O + log_k 24.24 + delta_h 0 kJ + -gamma 0 0 # Id: 3619562 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Hg(OH)2 + 3Butylamine + 2H+ = Hg(Butylamine)3+2 + 2H2O - log_k 25.1 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Hg(OH)2 + 3 Butylamine + 2 H+ = Hg(Butylamine)3+2 + 2 H2O + log_k 25.1 + delta_h 0 kJ + -gamma 0 0 # Id: 3619563 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Hg(OH)2 + 4Butylamine + 2H+ = Hg(Butylamine)4+2 + 2H2O - log_k 26.1 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Hg(OH)2 + 4 Butylamine + 2 H+ = Hg(Butylamine)4+2 + 2 H2O + log_k 26.1 + delta_h 0 kJ + -gamma 0 0 # Id: 3619564 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ag+ + Butylamine = Ag(Butylamine)+ - log_k 3.42 - delta_h -16.736 kJ - -gamma 0 0 + log_k 3.42 + delta_h -16.736 kJ + -gamma 0 0 # Id: 209561 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ag+ + 2Butylamine = Ag(Butylamine)2+ - log_k 7.47 - delta_h -52.7184 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ag+ + 2 Butylamine = Ag(Butylamine)2+ + log_k 7.47 + delta_h -52.7184 kJ + -gamma 0 0 # Id: 209562 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: H+ + Methylamine = H(Methylamine)+ - log_k 10.64 - delta_h -55.2288 kJ - -gamma 0 0 + log_k 10.64 + delta_h -55.2288 kJ + -gamma 0 0 # Id: 3309581 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cd+2 + Methylamine = Cd(Methylamine)+2 - log_k 2.75 - delta_h 0 kJ - -gamma 0 0 + log_k 2.75 + delta_h 0 kJ + -gamma 0 0 # Id: 1609581 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cd+2 + 2Methylamine = Cd(Methylamine)2+2 - log_k 4.81 - delta_h -29.288 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cd+2 + 2 Methylamine = Cd(Methylamine)2+2 + log_k 4.81 + delta_h -29.288 kJ + -gamma 0 0 # Id: 1609582 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cd+2 + 3Methylamine = Cd(Methylamine)3+2 - log_k 5.94 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cd+2 + 3 Methylamine = Cd(Methylamine)3+2 + log_k 5.94 + delta_h 0 kJ + -gamma 0 0 # Id: 1609583 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cd+2 + 4Methylamine = Cd(Methylamine)4+2 - log_k 6.55 - delta_h -58.576 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cd+2 + 4 Methylamine = Cd(Methylamine)4+2 + log_k 6.55 + delta_h -58.576 kJ + -gamma 0 0 # Id: 1609584 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Hg(OH)2 + Methylamine + 2H+ = Hg(Methylamine)+2 + 2H2O - log_k 14.76 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Hg(OH)2 + Methylamine + 2 H+ = Hg(Methylamine)+2 + 2 H2O + log_k 14.76 + delta_h 0 kJ + -gamma 0 0 # Id: 3619581 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Hg(OH)2 + 2Methylamine + 2H+ = Hg(Methylamine)2+2 + 2H2O - log_k 23.96 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Hg(OH)2 + 2 Methylamine + 2 H+ = Hg(Methylamine)2+2 + 2 H2O + log_k 23.96 + delta_h 0 kJ + -gamma 0 0 # Id: 3619582 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Hg(OH)2 + 3Methylamine + 2H+ = Hg(Methylamine)3+2 + 2H2O - log_k 24.3 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Hg(OH)2 + 3 Methylamine + 2 H+ = Hg(Methylamine)3+2 + 2 H2O + log_k 24.3 + delta_h 0 kJ + -gamma 0 0 # Id: 3619583 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Hg(OH)2 + 4Methylamine + 2H+ = Hg(Methylamine)4+2 + 2H2O - log_k 24.6 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Hg(OH)2 + 4 Methylamine + 2 H+ = Hg(Methylamine)4+2 + 2 H2O + log_k 24.6 + delta_h 0 kJ + -gamma 0 0 # Id: 3619584 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Methylamine = Cu(Methylamine)+2 - log_k 4.11 - delta_h 0 kJ - -gamma 0 0 + log_k 4.11 + delta_h 0 kJ + -gamma 0 0 # Id: 2319581 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + 2Methylamine = Cu(Methylamine)2+2 - log_k 7.51 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + 2 Methylamine = Cu(Methylamine)2+2 + log_k 7.51 + delta_h 0 kJ + -gamma 0 0 # Id: 2319582 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + 3Methylamine = Cu(Methylamine)3+2 - log_k 10.21 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + 3 Methylamine = Cu(Methylamine)3+2 + log_k 10.21 + delta_h 0 kJ + -gamma 0 0 # Id: 2319583 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + 4Methylamine = Cu(Methylamine)4+2 - log_k 12.08 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + 4 Methylamine = Cu(Methylamine)4+2 + log_k 12.08 + delta_h 0 kJ + -gamma 0 0 # Id: 2319584 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ag+ + Methylamine = Ag(Methylamine)+ - log_k 3.07 - delta_h -12.552 kJ - -gamma 0 0 + log_k 3.07 + delta_h -12.552 kJ + -gamma 0 0 # Id: 209581 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ag+ + 2Methylamine = Ag(Methylamine)2+ - log_k 6.89 - delta_h -48.9528 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ag+ + 2 Methylamine = Ag(Methylamine)2+ + log_k 6.89 + delta_h -48.9528 kJ + -gamma 0 0 # Id: 209582 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Methylamine = Ni(Methylamine)+2 - log_k 2.23 - delta_h 0 kJ - -gamma 0 0 + log_k 2.23 + delta_h 0 kJ + -gamma 0 0 # Id: 5409581 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: H+ + Dimethylamine = H(Dimethylamine)+ - log_k 10.774 - delta_h -50.208 kJ - -gamma 0 0 + log_k 10.774 + delta_h -50.208 kJ + -gamma 0 0 # Id: 3309591 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ag+ + 2Dimethylamine = Ag(Dimethylamine)2+ - log_k 5.37 - delta_h -40.5848 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ag+ + 2 Dimethylamine = Ag(Dimethylamine)2+ + log_k 5.37 + delta_h -40.5848 kJ + -gamma 0 0 # Id: 209591 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Dimethylamine = Ni(Dimethylamine)+2 - log_k 1.47 - delta_h 0 kJ - -gamma 0 0 + log_k 1.47 + delta_h 0 kJ + -gamma 0 0 # Id: 5409591 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: H+ + Hexylamine = H(Hexylamine)+ - log_k 10.63 - delta_h -58.576 kJ - -gamma 0 0 + log_k 10.63 + delta_h -58.576 kJ + -gamma 0 0 # Id: 3309611 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ag+ + Hexylamine = Ag(Hexylamine)+ - log_k 3.54 - delta_h -25.104 kJ - -gamma 0 0 + log_k 3.54 + delta_h -25.104 kJ + -gamma 0 0 # Id: 209611 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ag+ + 2Hexylamine = Ag(Hexylamine)2+ - log_k 7.55 - delta_h -53.1368 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ag+ + 2 Hexylamine = Ag(Hexylamine)2+ + log_k 7.55 + delta_h -53.1368 kJ + -gamma 0 0 # Id: 209612 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: H+ + Ethylenediamine = H(Ethylenediamine)+ - log_k 9.928 - delta_h -49.7896 kJ - -gamma 0 0 + log_k 9.928 + delta_h -49.7896 kJ + -gamma 0 0 # Id: 3309631 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -2H+ + Ethylenediamine = H2(Ethylenediamine)+2 - log_k 16.776 - delta_h -95.3952 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +2 H+ + Ethylenediamine = H2(Ethylenediamine)+2 + log_k 16.776 + delta_h -95.3952 kJ + -gamma 0 0 # Id: 3309632 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Pb+2 + Ethylenediamine = Pb(Ethylenediamine)+2 - log_k 5.04 - delta_h 0 kJ - -gamma 0 0 + log_k 5.04 + delta_h 0 kJ + -gamma 0 0 # Id: 6009631 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Pb+2 + 2Ethylenediamine = Pb(Ethylenediamine)2+2 - log_k 8.5 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Pb+2 + 2 Ethylenediamine = Pb(Ethylenediamine)2+2 + log_k 8.5 + delta_h 0 kJ + -gamma 0 0 # Id: 6009632 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Ethylenediamine = Zn(Ethylenediamine)+2 - log_k 5.66 - delta_h -29.288 kJ - -gamma 0 0 + log_k 5.66 + delta_h -29.288 kJ + -gamma 0 0 # Id: 9509631 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Zn+2 + 2Ethylenediamine = Zn(Ethylenediamine)2+2 - log_k 10.6 - delta_h -48.116 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Zn+2 + 2 Ethylenediamine = Zn(Ethylenediamine)2+2 + log_k 10.6 + delta_h -48.116 kJ + -gamma 0 0 # Id: 9509632 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Zn+2 + 3Ethylenediamine = Zn(Ethylenediamine)3+2 - log_k 13.9 - delta_h -71.5464 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Zn+2 + 3 Ethylenediamine = Zn(Ethylenediamine)3+2 + log_k 13.9 + delta_h -71.5464 kJ + -gamma 0 0 # Id: 9509633 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cd+2 + Ethylenediamine = Cd(Ethylenediamine)+2 - log_k 5.41 - delta_h -28.4512 kJ - -gamma 0 0 + log_k 5.41 + delta_h -28.4512 kJ + -gamma 0 0 # Id: 1609631 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cd+2 + 2Ethylenediamine = Cd(Ethylenediamine)2+2 - log_k 9.9 - delta_h -55.6472 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cd+2 + 2 Ethylenediamine = Cd(Ethylenediamine)2+2 + log_k 9.9 + delta_h -55.6472 kJ + -gamma 0 0 # Id: 1609632 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cd+2 + 3Ethylenediamine = Cd(Ethylenediamine)3+2 - log_k 11.6 - delta_h -82.4248 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cd+2 + 3 Ethylenediamine = Cd(Ethylenediamine)3+2 + log_k 11.6 + delta_h -82.4248 kJ + -gamma 0 0 # Id: 1609633 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Hg(OH)2 + Ethylenediamine + 2H+ = Hg(Ethylenediamine)+2 + 2H2O - log_k 20.4 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Hg(OH)2 + Ethylenediamine + 2 H+ = Hg(Ethylenediamine)+2 + 2 H2O + log_k 20.4 + delta_h 0 kJ + -gamma 0 0 # Id: 3619631 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Hg(OH)2 + 2Ethylenediamine + 2H+ = Hg(Ethylenediamine)2+2 + 2H2O - log_k 29.3 - delta_h -173.218 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Hg(OH)2 + 2 Ethylenediamine + 2 H+ = Hg(Ethylenediamine)2+2 + 2 H2O + log_k 29.3 + delta_h -173.218 kJ + -gamma 0 0 # Id: 3619632 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Hg(OH)2 + 2Ethylenediamine + 3H+ = HgH(Ethylenediamine)2+3 + 2H2O - log_k 34.7 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Hg(OH)2 + 2 Ethylenediamine + 3 H+ = HgH(Ethylenediamine)2+3 + 2 H2O + log_k 34.7 + delta_h 0 kJ + -gamma 0 0 # Id: 3619633 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+ + 2Ethylenediamine = Cu(Ethylenediamine)2+ - log_k 11.2 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+ + 2 Ethylenediamine = Cu(Ethylenediamine)2+ + log_k 11.2 + delta_h 0 kJ + -gamma 0 0 # Id: 2309631 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Ethylenediamine = Cu(Ethylenediamine)+2 - log_k 10.5 - delta_h -52.7184 kJ - -gamma 0 0 + log_k 10.5 + delta_h -52.7184 kJ + -gamma 0 0 # Id: 2319631 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + 2Ethylenediamine = Cu(Ethylenediamine)2+2 - log_k 19.6 - delta_h -105.437 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + 2 Ethylenediamine = Cu(Ethylenediamine)2+2 + log_k 19.6 + delta_h -105.437 kJ + -gamma 0 0 # Id: 2319632 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ag+ + Ethylenediamine = Ag(Ethylenediamine)+ - log_k 4.6 - delta_h -48.9528 kJ - -gamma 0 0 + log_k 4.6 + delta_h -48.9528 kJ + -gamma 0 0 # Id: 209631 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ag+ + 2Ethylenediamine = Ag(Ethylenediamine)2+ - log_k 7.5 - delta_h -52.3 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ag+ + 2 Ethylenediamine = Ag(Ethylenediamine)2+ + log_k 7.5 + delta_h -52.3 kJ + -gamma 0 0 # Id: 209632 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ag+ + Ethylenediamine + H+ = AgH(Ethylenediamine)+2 - log_k 11.99 - delta_h -75.312 kJ - -gamma 0 0 + log_k 11.99 + delta_h -75.312 kJ + -gamma 0 0 # Id: 209633 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -2Ag+ + Ethylenediamine = Ag2(Ethylenediamine)+2 - log_k 6.5 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +2 Ag+ + Ethylenediamine = Ag2(Ethylenediamine)+2 + log_k 6.5 + delta_h 0 kJ + -gamma 0 0 # Id: 209634 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -2Ag+ + 2Ethylenediamine = Ag2(Ethylenediamine)2+2 - log_k 12.7 - delta_h -97.0688 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +2 Ag+ + 2 Ethylenediamine = Ag2(Ethylenediamine)2+2 + log_k 12.7 + delta_h -97.0688 kJ + -gamma 0 0 # Id: 209635 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ag+ + 2Ethylenediamine + 2H+ = Ag(HEthylenediamine)2+3 - log_k 24 - delta_h -150.206 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ag+ + 2 Ethylenediamine + 2 H+ = Ag(HEthylenediamine)2+3 + log_k 24 + delta_h -150.206 kJ + -gamma 0 0 # Id: 209636 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ag+ + 2Ethylenediamine + H+ = AgH(Ethylenediamine)2+2 - log_k 8.4 - delta_h -47.6976 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ag+ + 2 Ethylenediamine + H+ = AgH(Ethylenediamine)2+2 + log_k 8.4 + delta_h -47.6976 kJ + -gamma 0 0 # Id: 209637 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Ethylenediamine = Ni(Ethylenediamine)+2 - log_k 7.32 - delta_h -37.656 kJ - -gamma 0 0 + log_k 7.32 + delta_h -37.656 kJ + -gamma 0 0 # Id: 5409631 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ni+2 + 2Ethylenediamine = Ni(Ethylenediamine)2+2 - log_k 13.5 - delta_h -76.5672 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ni+2 + 2 Ethylenediamine = Ni(Ethylenediamine)2+2 + log_k 13.5 + delta_h -76.5672 kJ + -gamma 0 0 # Id: 5409632 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ni+2 + 3Ethylenediamine = Ni(Ethylenediamine)3+2 - log_k 17.6 - delta_h -117.152 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ni+2 + 3 Ethylenediamine = Ni(Ethylenediamine)3+2 + log_k 17.6 + delta_h -117.152 kJ + -gamma 0 0 # Id: 5409633 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Co+2 + Ethylenediamine = Co(Ethylenediamine)+2 - log_k 5.5 - delta_h -28 kJ - -gamma 0 0 + log_k 5.5 + delta_h -28 kJ + -gamma 0 0 # Id: 2009631 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 -Co+2 + 2Ethylenediamine = Co(Ethylenediamine)2+2 - log_k 10.1 - delta_h -58.5 kJ - -gamma 0 0 +Co+2 + 2 Ethylenediamine = Co(Ethylenediamine)2+2 + log_k 10.1 + delta_h -58.5 kJ + -gamma 0 0 # Id: 2009632 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 -Co+2 + 3Ethylenediamine = Co(Ethylenediamine)3+2 - log_k 13.2 - delta_h -92.8 kJ - -gamma 0 0 +Co+2 + 3 Ethylenediamine = Co(Ethylenediamine)3+2 + log_k 13.2 + delta_h -92.8 kJ + -gamma 0 0 # Id: 2009633 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 -Co+3 + 2Ethylenediamine = Co(Ethylenediamine)2+3 - log_k 34.7 - delta_h 0 kJ - -gamma 0 0 +Co+3 + 2 Ethylenediamine = Co(Ethylenediamine)2+3 + log_k 34.7 + delta_h 0 kJ + -gamma 0 0 # Id: 2019631 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 1.00 25.0 -Co+3 + 3Ethylenediamine = Co(Ethylenediamine)3+3 - log_k 48.69 - delta_h 0 kJ - -gamma 0 0 +Co+3 + 3 Ethylenediamine = Co(Ethylenediamine)3+3 + log_k 48.69 + delta_h 0 kJ + -gamma 0 0 # Id: 2019632 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 1.50 30.0 Fe+2 + Ethylenediamine = Fe(Ethylenediamine)+2 - log_k 4.26 - delta_h 0 kJ - -gamma 0 0 + log_k 4.26 + delta_h 0 kJ + -gamma 0 0 # Id: 2809631 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Fe+2 + 2Ethylenediamine = Fe(Ethylenediamine)2+2 - log_k 7.73 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Fe+2 + 2 Ethylenediamine = Fe(Ethylenediamine)2+2 + log_k 7.73 + delta_h 0 kJ + -gamma 0 0 # Id: 2809632 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Fe+2 + 3Ethylenediamine = Fe(Ethylenediamine)3+2 - log_k 10.17 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Fe+2 + 3 Ethylenediamine = Fe(Ethylenediamine)3+2 + log_k 10.17 + delta_h 0 kJ + -gamma 0 0 # Id: 2809633 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Mn+2 + Ethylenediamine = Mn(Ethylenediamine)+2 - log_k 2.74 - delta_h -11.7152 kJ - -gamma 0 0 + log_k 2.74 + delta_h -11.7152 kJ + -gamma 0 0 # Id: 4709631 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Mn+2 + 2Ethylenediamine = Mn(Ethylenediamine)2+2 - log_k 4.8 - delta_h -25.104 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Mn+2 + 2 Ethylenediamine = Mn(Ethylenediamine)2+2 + log_k 4.8 + delta_h -25.104 kJ + -gamma 0 0 # Id: 4709632 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cr(OH)2+ + 2Ethylenediamine + 2H+ = Cr(Ethylenediamine)2+3 + 2H2O - log_k 22.57 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cr(OH)2+ + 2 Ethylenediamine + 2 H+ = Cr(Ethylenediamine)2+3 + 2 H2O + log_k 22.57 + delta_h 0 kJ + -gamma 0 0 # Id: 2119631 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cr(OH)2+ + 3Ethylenediamine + 2H+ = Cr(Ethylenediamine)3+3 + 2H2O - log_k 29 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cr(OH)2+ + 3 Ethylenediamine + 2 H+ = Cr(Ethylenediamine)3+3 + 2 H2O + log_k 29 + delta_h 0 kJ + -gamma 0 0 # Id: 2119632 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Mg+2 + Ethylenediamine = Mg(Ethylenediamine)+2 - log_k 0.37 - delta_h 0 kJ - -gamma 0 0 + log_k 0.37 + delta_h 0 kJ + -gamma 0 0 # Id: 4609631 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ca+2 + Ethylenediamine = Ca(Ethylenediamine)+2 - log_k 0.11 - delta_h 0 kJ - -gamma 0 0 + log_k 0.11 + delta_h 0 kJ + -gamma 0 0 # Id: 1509631 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: H+ + Propylamine = H(Propylamine)+ - log_k 10.566 - delta_h -57.53 kJ - -gamma 0 0 + log_k 10.566 + delta_h -57.53 kJ + -gamma 0 0 # Id: 3309641 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Propylamine = Zn(Propylamine)+2 - log_k 2.42 - delta_h 0 kJ - -gamma 0 0 + log_k 2.42 + delta_h 0 kJ + -gamma 0 0 # Id: 9509641 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Zn+2 + 2Propylamine = Zn(Propylamine)2+2 - log_k 4.85 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Zn+2 + 2 Propylamine = Zn(Propylamine)2+2 + log_k 4.85 + delta_h 0 kJ + -gamma 0 0 # Id: 9509642 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Zn+2 + 3Propylamine = Zn(Propylamine)3+2 - log_k 7.38 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Zn+2 + 3 Propylamine = Zn(Propylamine)3+2 + log_k 7.38 + delta_h 0 kJ + -gamma 0 0 # Id: 9509643 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Zn+2 + 4Propylamine = Zn(Propylamine)4+2 - log_k 9.49 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Zn+2 + 4 Propylamine = Zn(Propylamine)4+2 + log_k 9.49 + delta_h 0 kJ + -gamma 0 0 # Id: 9509644 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Cd+2 + Propylamine = Cd(Propylamine)+2 - log_k 2.62 - delta_h 0 kJ - -gamma 0 0 + log_k 2.62 + delta_h 0 kJ + -gamma 0 0 # Id: 1609641 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cd+2 + 2Propylamine = Cd(Propylamine)2+2 - log_k 4.64 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cd+2 + 2 Propylamine = Cd(Propylamine)2+2 + log_k 4.64 + delta_h 0 kJ + -gamma 0 0 # Id: 1609642 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cd+2 + 3Propylamine = Cd(Propylamine)3+2 - log_k 6.03 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cd+2 + 3 Propylamine = Cd(Propylamine)3+2 + log_k 6.03 + delta_h 0 kJ + -gamma 0 0 # Id: 1609643 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Ag+ + Propylamine = Ag(Propylamine)+ - log_k 3.45 - delta_h -12.552 kJ - -gamma 0 0 + log_k 3.45 + delta_h -12.552 kJ + -gamma 0 0 # Id: 209641 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ag+ + 2Propylamine = Ag(Propylamine)2+ - log_k 7.44 - delta_h -53.1368 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ag+ + 2 Propylamine = Ag(Propylamine)2+ + log_k 7.44 + delta_h -53.1368 kJ + -gamma 0 0 # Id: 209642 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Propylamine = Ni(Propylamine)+2 - log_k 2.81 - delta_h 0 kJ - -gamma 0 0 + log_k 2.81 + delta_h 0 kJ + -gamma 0 0 # Id: 5409641 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Ni+2 + 2Propylamine = Ni(Propylamine)2+2 - log_k 5.02 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Ni+2 + 2 Propylamine = Ni(Propylamine)2+2 + log_k 5.02 + delta_h 0 kJ + -gamma 0 0 # Id: 5409642 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Ni+2 + 3Propylamine = Ni(Propylamine)3+2 - log_k 6.79 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Ni+2 + 3 Propylamine = Ni(Propylamine)3+2 + log_k 6.79 + delta_h 0 kJ + -gamma 0 0 # Id: 5409643 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Ni+2 + 4Propylamine = Ni(Propylamine)4+2 - log_k 8.31 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Ni+2 + 4 Propylamine = Ni(Propylamine)4+2 + log_k 8.31 + delta_h 0 kJ + -gamma 0 0 # Id: 5409644 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: H+ + Isopropylamine = H(Isopropylamine)+ - log_k 10.67 - delta_h -58.3668 kJ - -gamma 0 0 + log_k 10.67 + delta_h -58.3668 kJ + -gamma 0 0 # Id: 3309651 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Isopropylamine = Zn(Isopropylamine)+2 - log_k 2.37 - delta_h 0 kJ - -gamma 0 0 + log_k 2.37 + delta_h 0 kJ + -gamma 0 0 # Id: 9509651 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Zn+2 + 2Isopropylamine = Zn(Isopropylamine)2+2 - log_k 4.67 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Zn+2 + 2 Isopropylamine = Zn(Isopropylamine)2+2 + log_k 4.67 + delta_h 0 kJ + -gamma 0 0 # Id: 9509652 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Zn+2 + 3Isopropylamine = Zn(Isopropylamine)3+2 - log_k 7.14 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Zn+2 + 3 Isopropylamine = Zn(Isopropylamine)3+2 + log_k 7.14 + delta_h 0 kJ + -gamma 0 0 # Id: 9509653 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Zn+2 + 4Isopropylamine = Zn(Isopropylamine)4+2 - log_k 9.44 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Zn+2 + 4 Isopropylamine = Zn(Isopropylamine)4+2 + log_k 9.44 + delta_h 0 kJ + -gamma 0 0 # Id: 9509654 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Cd+2 + Isopropylamine = Cd(Isopropylamine)+2 - log_k 2.55 - delta_h 0 kJ - -gamma 0 0 + log_k 2.55 + delta_h 0 kJ + -gamma 0 0 # Id: 1609651 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cd+2 + 2Isopropylamine = Cd(Isopropylamine)2+2 - log_k 4.57 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cd+2 + 2 Isopropylamine = Cd(Isopropylamine)2+2 + log_k 4.57 + delta_h 0 kJ + -gamma 0 0 # Id: 1609652 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cd+2 + 3Isopropylamine = Cd(Isopropylamine)3+2 - log_k 6.07 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cd+2 + 3 Isopropylamine = Cd(Isopropylamine)3+2 + log_k 6.07 + delta_h 0 kJ + -gamma 0 0 # Id: 1609653 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cd+2 + 4Isopropylamine = Cd(Isopropylamine)4+2 - log_k 6.9 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cd+2 + 4 Isopropylamine = Cd(Isopropylamine)4+2 + log_k 6.9 + delta_h 0 kJ + -gamma 0 0 # Id: 1609654 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Hg(OH)2 + Isopropylamine + 2H+ = Hg(Isopropylamine)+2 + 2H2O - log_k 14.85 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Hg(OH)2 + Isopropylamine + 2 H+ = Hg(Isopropylamine)+2 + 2 H2O + log_k 14.85 + delta_h 0 kJ + -gamma 0 0 # Id: 3619651 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Hg(OH)2 + 2Isopropylamine + 2H+ = Hg(Isopropylamine)2+2 + 2H2O - log_k 24.37 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Hg(OH)2 + 2 Isopropylamine + 2 H+ = Hg(Isopropylamine)2+2 + 2 H2O + log_k 24.37 + delta_h 0 kJ + -gamma 0 0 # Id: 3619652 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ag+ + Isopropylamine = Ag(Isopropylamine)+ - log_k 3.67 - delta_h -23.8488 kJ - -gamma 0 0 + log_k 3.67 + delta_h -23.8488 kJ + -gamma 0 0 # Id: 209651 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ag+ + 2Isopropylamine = Ag(Isopropylamine)2+ - log_k 7.77 - delta_h -59.8312 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ag+ + 2 Isopropylamine = Ag(Isopropylamine)2+ + log_k 7.77 + delta_h -59.8312 kJ + -gamma 0 0 # Id: 209652 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Isopropylamine = Ni(Isopropylamine)+2 - log_k 2.71 - delta_h 0 kJ - -gamma 0 0 + log_k 2.71 + delta_h 0 kJ + -gamma 0 0 # Id: 5409651 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Ni+2 + 2Isopropylamine = Ni(Isopropylamine)2+2 - log_k 4.86 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Ni+2 + 2 Isopropylamine = Ni(Isopropylamine)2+2 + log_k 4.86 + delta_h 0 kJ + -gamma 0 0 # Id: 5409652 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Ni+2 + 3Isopropylamine = Ni(Isopropylamine)3+2 - log_k 6.57 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Ni+2 + 3 Isopropylamine = Ni(Isopropylamine)3+2 + log_k 6.57 + delta_h 0 kJ + -gamma 0 0 # Id: 5409653 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Ni+2 + 4Isopropylamine = Ni(Isopropylamine)4+2 - log_k 7.83 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Ni+2 + 4 Isopropylamine = Ni(Isopropylamine)4+2 + log_k 7.83 + delta_h 0 kJ + -gamma 0 0 # Id: 5409654 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Ni+2 + 5Isopropylamine = Ni(Isopropylamine)5+2 - log_k 8.43 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Ni+2 + 5 Isopropylamine = Ni(Isopropylamine)5+2 + log_k 8.43 + delta_h 0 kJ + -gamma 0 0 # Id: 5409655 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: H+ + Trimethylamine = H(Trimethylamine)+ - log_k 9.8 - delta_h -36.8192 kJ - -gamma 0 0 + log_k 9.8 + delta_h -36.8192 kJ + -gamma 0 0 # Id: 3309661 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ag+ + Trimethylamine = Ag(Trimethylamine)+ - log_k 1.701 - delta_h 0 kJ - -gamma 0 0 + log_k 1.701 + delta_h 0 kJ + -gamma 0 0 # Id: 209661 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: H+ + Citrate-3 = H(Citrate)-2 - log_k 6.396 - delta_h 3.3472 kJ - -gamma 0 0 + log_k 6.396 + delta_h 3.3472 kJ + -gamma 0 0 # Id: 3309671 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -2H+ + Citrate-3 = H2(Citrate)- - log_k 11.157 - delta_h 1.297 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +2 H+ + Citrate-3 = H2(Citrate)- + log_k 11.157 + delta_h 1.297 kJ + -gamma 0 0 # Id: 3309672 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -3H+ + Citrate-3 = H3(Citrate) - log_k 14.285 - delta_h -2.7614 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +3 H+ + Citrate-3 = H3(Citrate) + log_k 14.285 + delta_h -2.7614 kJ + -gamma 0 0 # Id: 3309673 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Pb+2 + Citrate-3 = Pb(Citrate)- - log_k 7.27 - delta_h 0 kJ - -gamma 0 0 + log_k 7.27 + delta_h 0 kJ + -gamma 0 0 # Id: 6009671 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Pb+2 + 2Citrate-3 = Pb(Citrate)2-4 - log_k 6.53 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Pb+2 + 2 Citrate-3 = Pb(Citrate)2-4 + log_k 6.53 + delta_h 0 kJ + -gamma 0 0 # Id: 6009672 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Al+3 + Citrate-3 = Al(Citrate) - log_k 9.97 - delta_h 0 kJ - -gamma 0 0 + log_k 9.97 + delta_h 0 kJ + -gamma 0 0 # Id: 309671 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Al+3 + 2Citrate-3 = Al(Citrate)2-3 - log_k 14.8 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Al+3 + 2 Citrate-3 = Al(Citrate)2-3 + log_k 14.8 + delta_h 0 kJ + -gamma 0 0 # Id: 309672 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Al+3 + Citrate-3 + H+ = AlH(Citrate)+ - log_k 12.85 - delta_h 0 kJ - -gamma 0 0 + log_k 12.85 + delta_h 0 kJ + -gamma 0 0 # Id: 309673 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Tl+ + Citrate-3 = Tl(Citrate)-2 - log_k 1.48 - delta_h 0 kJ - -gamma 0 0 + log_k 1.48 + delta_h 0 kJ + -gamma 0 0 # Id: 8709671 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Citrate-3 = Zn(Citrate)- - log_k 6.21 - delta_h 8.368 kJ - -gamma 0 0 + log_k 6.21 + delta_h 8.368 kJ + -gamma 0 0 # Id: 9509671 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Zn+2 + 2Citrate-3 = Zn(Citrate)2-4 - log_k 7.4 - delta_h 25.104 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Zn+2 + 2 Citrate-3 = Zn(Citrate)2-4 + log_k 7.4 + delta_h 25.104 kJ + -gamma 0 0 # Id: 9509672 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Citrate-3 + H+ = ZnH(Citrate) - log_k 10.2 - delta_h 3.3472 kJ - -gamma 0 0 + log_k 10.2 + delta_h 3.3472 kJ + -gamma 0 0 # Id: 9509673 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Zn+2 + Citrate-3 + 2H+ = ZnH2(Citrate)+ - log_k 12.84 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Zn+2 + Citrate-3 + 2 H+ = ZnH2(Citrate)+ + log_k 12.84 + delta_h 0 kJ + -gamma 0 0 # Id: 9509674 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Cd+2 + Citrate-3 = Cd(Citrate)- - log_k 4.98 - delta_h 8.368 kJ - -gamma 0 0 + log_k 4.98 + delta_h 8.368 kJ + -gamma 0 0 # Id: 1609671 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cd+2 + Citrate-3 + H+ = CdH(Citrate) - log_k 9.44 - delta_h 3.3472 kJ - -gamma 0 0 + log_k 9.44 + delta_h 3.3472 kJ + -gamma 0 0 # Id: 1609672 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cd+2 + Citrate-3 + 2H+ = CdH2(Citrate)+ - log_k 12.9 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cd+2 + Citrate-3 + 2 H+ = CdH2(Citrate)+ + log_k 12.9 + delta_h 0 kJ + -gamma 0 0 # Id: 1609673 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cd+2 + 2Citrate-3 = Cd(Citrate)2-4 - log_k 5.9 - delta_h 20.92 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cd+2 + 2 Citrate-3 = Cd(Citrate)2-4 + log_k 5.9 + delta_h 20.92 kJ + -gamma 0 0 # Id: 1609674 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Hg(OH)2 + Citrate-3 + 2H+ = Hg(Citrate)- + 2H2O - log_k 18.3 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Hg(OH)2 + Citrate-3 + 2 H+ = Hg(Citrate)- + 2 H2O + log_k 18.3 + delta_h 0 kJ + -gamma 0 0 # Id: 3619671 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Citrate-3 = Cu(Citrate)- - log_k 7.57 - delta_h 0 kJ - -gamma 0 0 + log_k 7.57 + delta_h 0 kJ + -gamma 0 0 # Id: 2319671 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cu+2 + 2Citrate-3 = Cu(Citrate)2-4 - log_k 8.9 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cu+2 + 2 Citrate-3 = Cu(Citrate)2-4 + log_k 8.9 + delta_h 0 kJ + -gamma 0 0 # Id: 2319672 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Cu+2 + Citrate-3 + H+ = CuH(Citrate) - log_k 10.87 - delta_h 11.7152 kJ - -gamma 0 0 + log_k 10.87 + delta_h 11.7152 kJ + -gamma 0 0 # Id: 2319673 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + Citrate-3 + 2H+ = CuH2(Citrate)+ - log_k 13.23 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + Citrate-3 + 2 H+ = CuH2(Citrate)+ + log_k 13.23 + delta_h 0 kJ + -gamma 0 0 # Id: 2319674 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -2Cu+2 + 2Citrate-3 = Cu2(Citrate)2-2 - log_k 16.9 - delta_h 41.84 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +2 Cu+2 + 2 Citrate-3 = Cu2(Citrate)2-2 + log_k 16.9 + delta_h 41.84 kJ + -gamma 0 0 # Id: 2319675 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Citrate-3 = Ni(Citrate)- - log_k 6.59 - delta_h 16.736 kJ - -gamma 0 0 + log_k 6.59 + delta_h 16.736 kJ + -gamma 0 0 # Id: 5409671 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Citrate-3 + H+ = NiH(Citrate) - log_k 10.5 - delta_h 15.8992 kJ - -gamma 0 0 + log_k 10.5 + delta_h 15.8992 kJ + -gamma 0 0 # Id: 5409672 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ni+2 + Citrate-3 + 2H+ = NiH2(Citrate)+ - log_k 13.3 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ni+2 + Citrate-3 + 2 H+ = NiH2(Citrate)+ + log_k 13.3 + delta_h 0 kJ + -gamma 0 0 # Id: 5409673 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ni+2 + 2Citrate-3 = Ni(Citrate)2-4 - log_k 8.77 - delta_h 12.552 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ni+2 + 2 Citrate-3 = Ni(Citrate)2-4 + log_k 8.77 + delta_h 12.552 kJ + -gamma 0 0 # Id: 5409674 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ni+2 + 2Citrate-3 + H+ = NiH(Citrate)2-3 - log_k 14.9 - delta_h 32.6352 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ni+2 + 2 Citrate-3 + H+ = NiH(Citrate)2-3 + log_k 14.9 + delta_h 32.6352 kJ + -gamma 0 0 # Id: 5409675 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Co+2 + Citrate-3 = Co(Citrate)- - log_k 6.1867 - delta_h 0 kJ - -gamma 0 0 + log_k 6.1867 + delta_h 0 kJ + -gamma 0 0 # Id: 2009671 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 Co+2 + H+ + Citrate-3 = CoHCitrate - log_k 10.4438 - delta_h 0 kJ - -gamma 0 0 + log_k 10.4438 + delta_h 0 kJ + -gamma 0 0 # Id: 2009672 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 -Co+2 + 2H+ + Citrate-3 = CoH2Citrate+ - log_k 12.7859 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 2 H+ + Citrate-3 = CoH2Citrate+ + log_k 12.7859 + delta_h 0 kJ + -gamma 0 0 # Id: 2009673 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 20.0 Fe+2 + Citrate-3 = Fe(Citrate)- - log_k 6.1 - delta_h 0 kJ - -gamma 0 0 + log_k 6.1 + delta_h 0 kJ + -gamma 0 0 # Id: 2809671 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Fe+2 + Citrate-3 + H+ = FeH(Citrate) - log_k 10.2 - delta_h 0 kJ - -gamma 0 0 + log_k 10.2 + delta_h 0 kJ + -gamma 0 0 # Id: 2809672 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Fe+3 + Citrate-3 = Fe(Citrate) - log_k 13.1 - delta_h 0 kJ - -gamma 0 0 + log_k 13.1 + delta_h 0 kJ + -gamma 0 0 # Id: 2819671 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Fe+3 + Citrate-3 + H+ = FeH(Citrate)+ - log_k 14.4 - delta_h 0 kJ - -gamma 0 0 + log_k 14.4 + delta_h 0 kJ + -gamma 0 0 # Id: 2819672 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Mn+2 + Citrate-3 = Mn(Citrate)- - log_k 4.28 - delta_h 0 kJ - -gamma 0 0 + log_k 4.28 + delta_h 0 kJ + -gamma 0 0 # Id: 4709671 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Mn+2 + Citrate-3 + H+ = MnH(Citrate) - log_k 9.6 - delta_h 0 kJ - -gamma 0 0 + log_k 9.6 + delta_h 0 kJ + -gamma 0 0 # Id: 4709672 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Be+2 + Citrate-3 = Be(Citrate)- - log_k 5.534 - delta_h 0 kJ - -gamma 0 0 + log_k 5.534 + delta_h 0 kJ + -gamma 0 0 # Id: 1109671 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 1.00 25.0 Be+2 + H+ + Citrate-3 = BeH(Citrate) - log_k 9.442 - delta_h 0 kJ - -gamma 0 0 + log_k 9.442 + delta_h 0 kJ + -gamma 0 0 # Id: 1109672 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 1.00 25.0 Ca+2 + Citrate-3 = Ca(Citrate)- - log_k 4.87 - delta_h -8.368 kJ - -gamma 0 0 + log_k 4.87 + delta_h -8.368 kJ + -gamma 0 0 # Id: 1509671 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ca+2 + Citrate-3 + H+ = CaH(Citrate) - log_k 9.26 - delta_h -0.8368 kJ - -gamma 0 0 + log_k 9.26 + delta_h -0.8368 kJ + -gamma 0 0 # Id: 1509672 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ca+2 + Citrate-3 + 2H+ = CaH2(Citrate)+ - log_k 12.257 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ca+2 + Citrate-3 + 2 H+ = CaH2(Citrate)+ + log_k 12.257 + delta_h 0 kJ + -gamma 0 0 # Id: 1509673 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Mg+2 + Citrate-3 = Mg(Citrate)- - log_k 4.89 - delta_h 8.368 kJ - -gamma 0 0 + log_k 4.89 + delta_h 8.368 kJ + -gamma 0 0 # Id: 4609671 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Mg+2 + Citrate-3 + H+ = MgH(Citrate) - log_k 8.91 - delta_h 3.3472 kJ - -gamma 0 0 + log_k 8.91 + delta_h 3.3472 kJ + -gamma 0 0 # Id: 4609672 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Mg+2 + Citrate-3 + 2H+ = MgH2(Citrate)+ - log_k 12.2 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Mg+2 + Citrate-3 + 2 H+ = MgH2(Citrate)+ + log_k 12.2 + delta_h 0 kJ + -gamma 0 0 # Id: 4609673 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Sr+2 + Citrate-3 = Sr(Citrate)- - log_k 4.3367 - delta_h 0 kJ - -gamma 0 0 + log_k 4.3367 + delta_h 0 kJ + -gamma 0 0 # Id: 8009671 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 Sr+2 + H+ + Citrate-3 = SrH(Citrate) - log_k 8.9738 - delta_h 0 kJ - -gamma 0 0 + log_k 8.9738 + delta_h 0 kJ + -gamma 0 0 # Id: 8009672 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 -Sr+2 + 2H+ + Citrate-3 = SrH2(Citrate)+ - log_k 12.4859 - delta_h 0 kJ - -gamma 0 0 +Sr+2 + 2 H+ + Citrate-3 = SrH2(Citrate)+ + log_k 12.4859 + delta_h 0 kJ + -gamma 0 0 # Id: 8009673 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 Ba+2 + Citrate-3 = Ba(Citrate)- - log_k 4.1 - delta_h 0 kJ - -gamma 0 0 + log_k 4.1 + delta_h 0 kJ + -gamma 0 0 # Id: 1009671 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ba+2 + Citrate-3 + H+ = BaH(Citrate) - log_k 8.74 - delta_h 0 kJ - -gamma 0 0 + log_k 8.74 + delta_h 0 kJ + -gamma 0 0 # Id: 1009672 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ba+2 + Citrate-3 + 2H+ = BaH2(Citrate)+ - log_k 12.3 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ba+2 + Citrate-3 + 2 H+ = BaH2(Citrate)+ + log_k 12.3 + delta_h 0 kJ + -gamma 0 0 # Id: 1009673 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Na+ + Citrate-3 = Na(Citrate)-2 - log_k 1.03 - delta_h -2.8033 kJ - -gamma 0 0 + log_k 1.03 + delta_h -2.8033 kJ + -gamma 0 0 # Id: 5009671 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -2Na+ + Citrate-3 = Na2(Citrate)- - log_k 1.5 - delta_h -5.1045 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +2 Na+ + Citrate-3 = Na2(Citrate)- + log_k 1.5 + delta_h -5.1045 kJ + -gamma 0 0 # Id: 5009672 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Na+ + Citrate-3 + H+ = NaH(Citrate)- - log_k 6.45 - delta_h -3.5982 kJ - -gamma 0 0 + log_k 6.45 + delta_h -3.5982 kJ + -gamma 0 0 # Id: 5009673 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: K+ + Citrate-3 = K(Citrate)-2 - log_k 1.1 - delta_h 5.4392 kJ - -gamma 0 0 + log_k 1.1 + delta_h 5.4392 kJ + -gamma 0 0 # Id: 4109671 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: H+ + Nta-3 = H(Nta)-2 - log_k 10.278 - delta_h -18.828 kJ - -gamma 0 0 + log_k 10.278 + delta_h -18.828 kJ + -gamma 0 0 # Id: 3309681 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -2H+ + Nta-3 = H2(Nta)- - log_k 13.22 - delta_h -17.9912 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +2 H+ + Nta-3 = H2(Nta)- + log_k 13.22 + delta_h -17.9912 kJ + -gamma 0 0 # Id: 3309682 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -3H+ + Nta-3 = H3(Nta) - log_k 15.22 - delta_h -16.3176 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +3 H+ + Nta-3 = H3(Nta) + log_k 15.22 + delta_h -16.3176 kJ + -gamma 0 0 # Id: 3309683 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -4H+ + Nta-3 = H4(Nta)+ - log_k 16.22 - delta_h -16.3176 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +4 H+ + Nta-3 = H4(Nta)+ + log_k 16.22 + delta_h -16.3176 kJ + -gamma 0 0 # Id: 3309684 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Pb+2 + Nta-3 = Pb(Nta)- - log_k 12.7 - delta_h -15.8992 kJ - -gamma 0 0 + log_k 12.7 + delta_h -15.8992 kJ + -gamma 0 0 # Id: 6009681 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Pb+2 + Nta-3 + H+ = PbH(Nta) - log_k 15.3 - delta_h 0 kJ - -gamma 0 0 + log_k 15.3 + delta_h 0 kJ + -gamma 0 0 # Id: 6009682 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Al+3 + Nta-3 = Al(Nta) - log_k 13.3 - delta_h 0 kJ - -gamma 0 0 + log_k 13.3 + delta_h 0 kJ + -gamma 0 0 # Id: 309681 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Al+3 + Nta-3 + H+ = AlH(Nta)+ - log_k 15.2 - delta_h 0 kJ - -gamma 0 0 + log_k 15.2 + delta_h 0 kJ + -gamma 0 0 # Id: 309682 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Al+3 + Nta-3 + H2O = AlOH(Nta)- + H+ - log_k 8 - delta_h 0 kJ - -gamma 0 0 + log_k 8 + delta_h 0 kJ + -gamma 0 0 # Id: 309683 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Tl+ + Nta-3 = Tl(Nta)-2 - log_k 5.39 - delta_h 0 kJ - -gamma 0 0 + log_k 5.39 + delta_h 0 kJ + -gamma 0 0 # Id: 8709681 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Nta-3 = Zn(Nta)- - log_k 11.95 - delta_h -3.7656 kJ - -gamma 0 0 + log_k 11.95 + delta_h -3.7656 kJ + -gamma 0 0 # Id: 9509681 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Zn+2 + 2Nta-3 = Zn(Nta)2-4 - log_k 14.88 - delta_h -15.0624 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Zn+2 + 2 Nta-3 = Zn(Nta)2-4 + log_k 14.88 + delta_h -15.0624 kJ + -gamma 0 0 # Id: 9509682 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Nta-3 + H2O = ZnOH(Nta)-2 + H+ - log_k 1.46 - delta_h 46.4424 kJ - -gamma 0 0 + log_k 1.46 + delta_h 46.4424 kJ + -gamma 0 0 # Id: 9509683 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cd+2 + Nta-3 = Cd(Nta)- - log_k 11.07 - delta_h -16.736 kJ - -gamma 0 0 + log_k 11.07 + delta_h -16.736 kJ + -gamma 0 0 # Id: 1609681 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cd+2 + 2Nta-3 = Cd(Nta)2-4 - log_k 15.03 - delta_h -38.0744 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cd+2 + 2 Nta-3 = Cd(Nta)2-4 + log_k 15.03 + delta_h -38.0744 kJ + -gamma 0 0 # Id: 1609682 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cd+2 + Nta-3 + H2O = CdOH(Nta)-2 + H+ - log_k -0.61 - delta_h 29.288 kJ - -gamma 0 0 + log_k -0.61 + delta_h 29.288 kJ + -gamma 0 0 # Id: 1609683 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Hg(OH)2 + Nta-3 + 2H+ = Hg(Nta)- + 2H2O - log_k 21.7 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Hg(OH)2 + Nta-3 + 2 H+ = Hg(Nta)- + 2 H2O + log_k 21.7 + delta_h 0 kJ + -gamma 0 0 # Id: 3619681 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Nta-3 = Cu(Nta)- - log_k 14.4 - delta_h -7.9496 kJ - -gamma 0 0 + log_k 14.4 + delta_h -7.9496 kJ + -gamma 0 0 # Id: 2319681 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + 2Nta-3 = Cu(Nta)2-4 - log_k 18.1 - delta_h -37.2376 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + 2 Nta-3 = Cu(Nta)2-4 + log_k 18.1 + delta_h -37.2376 kJ + -gamma 0 0 # Id: 2319682 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Nta-3 + H+ = CuH(Nta) - log_k 16.2 - delta_h 0 kJ - -gamma 0 0 + log_k 16.2 + delta_h 0 kJ + -gamma 0 0 # Id: 2319683 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Nta-3 + H2O = CuOH(Nta)-2 + H+ - log_k 4.8 - delta_h 25.5224 kJ - -gamma 0 0 + log_k 4.8 + delta_h 25.5224 kJ + -gamma 0 0 # Id: 2319684 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ag+ + Nta-3 = Ag(Nta)-2 - log_k 6 - delta_h -26.3592 kJ - -gamma 0 0 + log_k 6 + delta_h -26.3592 kJ + -gamma 0 0 # Id: 209681 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Nta-3 = Ni(Nta)- - log_k 12.79 - delta_h -10.0416 kJ - -gamma 0 0 + log_k 12.79 + delta_h -10.0416 kJ + -gamma 0 0 # Id: 5409681 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ni+2 + 2Nta-3 = Ni(Nta)2-4 - log_k 16.96 - delta_h -32.6352 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ni+2 + 2 Nta-3 = Ni(Nta)2-4 + log_k 16.96 + delta_h -32.6352 kJ + -gamma 0 0 # Id: 5409682 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Nta-3 + H2O = NiOH(Nta)-2 + H+ - log_k 1.5 - delta_h 15.0624 kJ - -gamma 0 0 + log_k 1.5 + delta_h 15.0624 kJ + -gamma 0 0 # Id: 5409683 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Co+2 + Nta-3 = Co(Nta)- - log_k 11.6667 - delta_h -0.4 kJ - -gamma 0 0 + log_k 11.6667 + delta_h -0.4 kJ + -gamma 0 0 # Id: 2009681 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 -Co+2 + 2Nta-3 = Co(Nta)2-4 - log_k 14.9734 - delta_h -20 kJ - -gamma 0 0 +Co+2 + 2 Nta-3 = Co(Nta)2-4 + log_k 14.9734 + delta_h -20 kJ + -gamma 0 0 # Id: 2009682 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 Co+2 + Nta-3 + H2O = CoOH(Nta)-2 + H+ - log_k 0.4378 - delta_h 45.6 kJ - -gamma 0 0 + log_k 0.4378 + delta_h 45.6 kJ + -gamma 0 0 # Id: 2009683 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 Fe+2 + Nta-3 = Fe(Nta)- - log_k 10.19 - delta_h 0 kJ - -gamma 0 0 + log_k 10.19 + delta_h 0 kJ + -gamma 0 0 # Id: 2809681 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Fe+2 + 2Nta-3 = Fe(Nta)2-4 - log_k 12.62 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Fe+2 + 2 Nta-3 = Fe(Nta)2-4 + log_k 12.62 + delta_h 0 kJ + -gamma 0 0 # Id: 2809682 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Fe+2 + Nta-3 + H+ = FeH(Nta) - log_k 12.29 - delta_h 0 kJ - -gamma 0 0 + log_k 12.29 + delta_h 0 kJ + -gamma 0 0 # Id: 2809683 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Fe+2 + Nta-3 + H2O = FeOH(Nta)-2 + H+ - log_k -1.06 - delta_h 0 kJ - -gamma 0 0 + log_k -1.06 + delta_h 0 kJ + -gamma 0 0 # Id: 2809684 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Fe+3 + Nta-3 = Fe(Nta) - log_k 17.8 - delta_h 13.3888 kJ - -gamma 0 0 + log_k 17.8 + delta_h 13.3888 kJ + -gamma 0 0 # Id: 2819681 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Fe+3 + 2Nta-3 = Fe(Nta)2-3 - log_k 25.9 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Fe+3 + 2 Nta-3 = Fe(Nta)2-3 + log_k 25.9 + delta_h 0 kJ + -gamma 0 0 # Id: 2819682 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Fe+3 + Nta-3 + H2O = FeOH(Nta)- + H+ - log_k 13.23 - delta_h 0 kJ - -gamma 0 0 + log_k 13.23 + delta_h 0 kJ + -gamma 0 0 # Id: 2819683 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Mn+2 + Nta-3 = Mn(Nta)- - log_k 8.573 - delta_h 5.8576 kJ - -gamma 0 0 + log_k 8.573 + delta_h 5.8576 kJ + -gamma 0 0 # Id: 4709681 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Mn+2 + 2Nta-3 = Mn(Nta)2-4 - log_k 11.58 - delta_h -17.1544 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Mn+2 + 2 Nta-3 = Mn(Nta)2-4 + log_k 11.58 + delta_h -17.1544 kJ + -gamma 0 0 # Id: 4709682 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cr(OH)2+ + Nta-3 + 2H+ = Cr(Nta) + 2H2O - log_k 21.2 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cr(OH)2+ + Nta-3 + 2 H+ = Cr(Nta) + 2 H2O + log_k 21.2 + delta_h 0 kJ + -gamma 0 0 # Id: 2119681 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cr(OH)2+ + 2Nta-3 + 2H+ = Cr(Nta)2-3 + 2H2O - log_k 29.5 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cr(OH)2+ + 2 Nta-3 + 2 H+ = Cr(Nta)2-3 + 2 H2O + log_k 29.5 + delta_h 0 kJ + -gamma 0 0 # Id: 2119682 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -MoO4-2 + 2H+ + Nta-3 = MoO3(Nta)-3 + H2O - log_k 19.5434 - delta_h -69 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +MoO4-2 + 2 H+ + Nta-3 = MoO3(Nta)-3 + H2O + log_k 19.5434 + delta_h -69 kJ + -gamma 0 0 # Id: 4809681 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 -MoO4-2 + 3H+ + Nta-3 = MoO3H(Nta)-2 + H2O - log_k 23.3954 - delta_h -71 kJ - -gamma 0 0 +MoO4-2 + 3 H+ + Nta-3 = MoO3H(Nta)-2 + H2O + log_k 23.3954 + delta_h -71 kJ + -gamma 0 0 # Id: 4809682 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 1.00 25.0 -MoO4-2 + 4H+ + Nta-3 = MoO3H2(Nta)- + H2O - log_k 25.3534 - delta_h -71 kJ - -gamma 0 0 +MoO4-2 + 4 H+ + Nta-3 = MoO3H2(Nta)- + H2O + log_k 25.3534 + delta_h -71 kJ + -gamma 0 0 # Id: 4809683 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 1.00 25.0 Be+2 + Nta-3 = Be(Nta)- - log_k 9.0767 - delta_h 25 kJ - -gamma 0 0 + log_k 9.0767 + delta_h 25 kJ + -gamma 0 0 # Id: 1109681 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 Mg+2 + Nta-3 = Mg(Nta)- - log_k 6.5 - delta_h 17.9912 kJ - -gamma 0 0 + log_k 6.5 + delta_h 17.9912 kJ + -gamma 0 0 # Id: 4609681 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ca+2 + Nta-3 = Ca(Nta)- - log_k 7.608 - delta_h -5.6902 kJ - -gamma 0 0 + log_k 7.608 + delta_h -5.6902 kJ + -gamma 0 0 # Id: 1509681 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ca+2 + 2Nta-3 = Ca(Nta)2-4 - log_k 8.81 - delta_h -32.6352 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ca+2 + 2 Nta-3 = Ca(Nta)2-4 + log_k 8.81 + delta_h -32.6352 kJ + -gamma 0 0 # Id: 1509682 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Sr+2 + Nta-3 = Sr(Nta)- - log_k 6.2767 - delta_h -2.2 kJ - -gamma 0 0 + log_k 6.2767 + delta_h -2.2 kJ + -gamma 0 0 # Id: 8009681 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 Ba+2 + Nta-3 = Ba(Nta)- - log_k 5.875 - delta_h -6.025 kJ - -gamma 0 0 + log_k 5.875 + delta_h -6.025 kJ + -gamma 0 0 # Id: 1009681 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: H+ + Edta-4 = H(Edta)-3 - log_k 10.948 - delta_h -23.4304 kJ - -gamma 0 0 + log_k 10.948 + delta_h -23.4304 kJ + -gamma 0 0 # Id: 3309691 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -2H+ + Edta-4 = H2(Edta)-2 - log_k 17.221 - delta_h -41.0032 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +2 H+ + Edta-4 = H2(Edta)-2 + log_k 17.221 + delta_h -41.0032 kJ + -gamma 0 0 # Id: 3309692 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -3H+ + Edta-4 = H3(Edta)- - log_k 20.34 - delta_h -35.564 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +3 H+ + Edta-4 = H3(Edta)- + log_k 20.34 + delta_h -35.564 kJ + -gamma 0 0 # Id: 3309693 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -4H+ + Edta-4 = H4(Edta) - log_k 22.5 - delta_h -34.3088 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +4 H+ + Edta-4 = H4(Edta) + log_k 22.5 + delta_h -34.3088 kJ + -gamma 0 0 # Id: 3309694 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -5H+ + Edta-4 = H5(Edta)+ - log_k 24 - delta_h -32.2168 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +5 H+ + Edta-4 = H5(Edta)+ + log_k 24 + delta_h -32.2168 kJ + -gamma 0 0 # Id: 3309695 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Sn(OH)2 + 2H+ + Edta-4 = Sn(Edta)-2 + 2H2O - log_k 27.026 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Sn(OH)2 + 2 H+ + Edta-4 = Sn(Edta)-2 + 2 H2O + log_k 27.026 + delta_h 0 kJ + -gamma 0 0 # Id: 7909691 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 1.00 20.0 -Sn(OH)2 + 3H+ + Edta-4 = SnH(Edta)- + 2H2O - log_k 29.934 - delta_h 0 kJ - -gamma 0 0 +Sn(OH)2 + 3 H+ + Edta-4 = SnH(Edta)- + 2 H2O + log_k 29.934 + delta_h 0 kJ + -gamma 0 0 # Id: 7909692 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 1.00 20.0 -Sn(OH)2 + 4H+ + Edta-4 = SnH2(Edta) + 2H2O - log_k 31.638 - delta_h 0 kJ - -gamma 0 0 +Sn(OH)2 + 4 H+ + Edta-4 = SnH2(Edta) + 2 H2O + log_k 31.638 + delta_h 0 kJ + -gamma 0 0 # Id: 7909693 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 1.00 20.0 Pb+2 + Edta-4 = Pb(Edta)-2 - log_k 19.8 - delta_h -54.8104 kJ - -gamma 0 0 + log_k 19.8 + delta_h -54.8104 kJ + -gamma 0 0 # Id: 6009691 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Pb+2 + Edta-4 + H+ = PbH(Edta)- - log_k 23 - delta_h 0 kJ - -gamma 0 0 + log_k 23 + delta_h 0 kJ + -gamma 0 0 # Id: 6009692 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Pb+2 + Edta-4 + 2H+ = PbH2(Edta) - log_k 24.9 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Pb+2 + Edta-4 + 2 H+ = PbH2(Edta) + log_k 24.9 + delta_h 0 kJ + -gamma 0 0 # Id: 6009693 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Al+3 + Edta-4 = Al(Edta)- - log_k 19.1 - delta_h 52.7184 kJ - -gamma 0 0 + log_k 19.1 + delta_h 52.7184 kJ + -gamma 0 0 # Id: 309690 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Al+3 + Edta-4 + H+ = AlH(Edta) - log_k 21.8 - delta_h 36.4008 kJ - -gamma 0 0 + log_k 21.8 + delta_h 36.4008 kJ + -gamma 0 0 # Id: 309691 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Al+3 + Edta-4 + H2O = AlOH(Edta)-2 + H+ - log_k 12.8 - delta_h 73.6384 kJ - -gamma 0 0 + log_k 12.8 + delta_h 73.6384 kJ + -gamma 0 0 # Id: 309692 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Tl+ + Edta-4 = Tl(Edta)-3 - log_k 7.27 - delta_h -43.5136 kJ - -gamma 0 0 + log_k 7.27 + delta_h -43.5136 kJ + -gamma 0 0 # Id: 8709691 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Tl+ + Edta-4 + H+ = TlH(Edta)-2 - log_k 13.68 - delta_h 0 kJ - -gamma 0 0 + log_k 13.68 + delta_h 0 kJ + -gamma 0 0 # Id: 8709692 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Edta-4 = Zn(Edta)-2 - log_k 18 - delta_h -19.2464 kJ - -gamma 0 0 + log_k 18 + delta_h -19.2464 kJ + -gamma 0 0 # Id: 9509691 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Edta-4 + H+ = ZnH(Edta)- - log_k 21.4 - delta_h -28.4512 kJ - -gamma 0 0 + log_k 21.4 + delta_h -28.4512 kJ + -gamma 0 0 # Id: 9509692 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Edta-4 + H2O = ZnOH(Edta)-3 + H+ - log_k 5.8 - delta_h 0 kJ - -gamma 0 0 + log_k 5.8 + delta_h 0 kJ + -gamma 0 0 # Id: 9509693 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cd+2 + Edta-4 = Cd(Edta)-2 - log_k 18.2 - delta_h -38.0744 kJ - -gamma 0 0 + log_k 18.2 + delta_h -38.0744 kJ + -gamma 0 0 # Id: 1609691 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cd+2 + Edta-4 + H+ = CdH(Edta)- - log_k 21.5 - delta_h -39.748 kJ - -gamma 0 0 + log_k 21.5 + delta_h -39.748 kJ + -gamma 0 0 # Id: 1609692 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Hg(OH)2 + Edta-4 + 2H+ = Hg(Edta)-2 + 2H2O - log_k 29.3 - delta_h -125.102 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Hg(OH)2 + Edta-4 + 2 H+ = Hg(Edta)-2 + 2 H2O + log_k 29.3 + delta_h -125.102 kJ + -gamma 0 0 # Id: 3619691 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Hg(OH)2 + Edta-4 + 3H+ = HgH(Edta)- + 2H2O - log_k 32.9 - delta_h -128.449 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Hg(OH)2 + Edta-4 + 3 H+ = HgH(Edta)- + 2 H2O + log_k 32.9 + delta_h -128.449 kJ + -gamma 0 0 # Id: 3619692 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Edta-4 = Cu(Edta)-2 - log_k 20.5 - delta_h -34.7272 kJ - -gamma 0 0 + log_k 20.5 + delta_h -34.7272 kJ + -gamma 0 0 # Id: 2319691 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Edta-4 + H+ = CuH(Edta)- - log_k 24 - delta_h -43.0952 kJ - -gamma 0 0 + log_k 24 + delta_h -43.0952 kJ + -gamma 0 0 # Id: 2319692 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + Edta-4 + 2H+ = CuH2(Edta) - log_k 26.2 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + Edta-4 + 2 H+ = CuH2(Edta) + log_k 26.2 + delta_h 0 kJ + -gamma 0 0 # Id: 2319693 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Edta-4 + H2O = CuOH(Edta)-3 + H+ - log_k 8.5 - delta_h 0 kJ - -gamma 0 0 + log_k 8.5 + delta_h 0 kJ + -gamma 0 0 # Id: 2319694 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ag+ + Edta-4 = Ag(Edta)-3 - log_k 8.08 - delta_h -31.38 kJ - -gamma 0 0 + log_k 8.08 + delta_h -31.38 kJ + -gamma 0 0 # Id: 209691 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ag+ + Edta-4 + H+ = AgH(Edta)-2 - log_k 15.21 - delta_h 0 kJ - -gamma 0 0 + log_k 15.21 + delta_h 0 kJ + -gamma 0 0 # Id: 209693 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Ni+2 + Edta-4 = Ni(Edta)-2 - log_k 20.1 - delta_h -30.9616 kJ - -gamma 0 0 + log_k 20.1 + delta_h -30.9616 kJ + -gamma 0 0 # Id: 5409691 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Edta-4 + H+ = NiH(Edta)- - log_k 23.6 - delta_h -38.4928 kJ - -gamma 0 0 + log_k 23.6 + delta_h -38.4928 kJ + -gamma 0 0 # Id: 5409692 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Edta-4 + H2O = NiOH(Edta)-3 + H+ - log_k 7.6 - delta_h 0 kJ - -gamma 0 0 + log_k 7.6 + delta_h 0 kJ + -gamma 0 0 # Id: 5409693 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Co+2 + Edta-4 = Co(Edta)-2 - log_k 18.1657 - delta_h -15 kJ - -gamma 0 0 + log_k 18.1657 + delta_h -15 kJ + -gamma 0 0 # Id: 2009691 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 Co+2 + Edta-4 + H+ = CoH(Edta)- - log_k 21.5946 - delta_h -22.9 kJ - -gamma 0 0 + log_k 21.5946 + delta_h -22.9 kJ + -gamma 0 0 # Id: 2009692 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 -Co+2 + Edta-4 + 2H+ = CoH2(Edta) - log_k 23.4986 - delta_h 0 kJ - -gamma 0 0 +Co+2 + Edta-4 + 2 H+ = CoH2(Edta) + log_k 23.4986 + delta_h 0 kJ + -gamma 0 0 # Id: 2009693 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 1.00 25.0 Co+3 + Edta-4 = Co(Edta)- - log_k 43.9735 - delta_h 0 kJ - -gamma 0 0 + log_k 43.9735 + delta_h 0 kJ + -gamma 0 0 # Id: 2019691 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 Co+3 + Edta-4 + H+ = CoH(Edta) - log_k 47.168 - delta_h 0 kJ - -gamma 0 0 + log_k 47.168 + delta_h 0 kJ + -gamma 0 0 # Id: 2019692 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 20.0 Fe+2 + Edta-4 = Fe(Edta)-2 - log_k 16 - delta_h -16.736 kJ - -gamma 0 0 + log_k 16 + delta_h -16.736 kJ + -gamma 0 0 # Id: 2809690 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Fe+2 + Edta-4 + H+ = FeH(Edta)- - log_k 19.06 - delta_h -27.6144 kJ - -gamma 0 0 + log_k 19.06 + delta_h -27.6144 kJ + -gamma 0 0 # Id: 2809691 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Fe+2 + Edta-4 + H2O = FeOH(Edta)-3 + H+ - log_k 6.5 - delta_h 0 kJ - -gamma 0 0 + log_k 6.5 + delta_h 0 kJ + -gamma 0 0 # Id: 2809692 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Fe+2 + Edta-4 + 2H2O = Fe(OH)2(Edta)-4 + 2H+ - log_k -4 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Fe+2 + Edta-4 + 2 H2O = Fe(OH)2(Edta)-4 + 2 H+ + log_k -4 + delta_h 0 kJ + -gamma 0 0 # Id: 2809693 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Fe+3 + Edta-4 = Fe(Edta)- - log_k 27.7 - delta_h -11.2968 kJ - -gamma 0 0 + log_k 27.7 + delta_h -11.2968 kJ + -gamma 0 0 # Id: 2819690 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Fe+3 + Edta-4 + H+ = FeH(Edta) - log_k 29.2 - delta_h -11.7152 kJ - -gamma 0 0 + log_k 29.2 + delta_h -11.7152 kJ + -gamma 0 0 # Id: 2819691 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Fe+3 + Edta-4 + H2O = FeOH(Edta)-2 + H+ - log_k 19.9 - delta_h 0 kJ - -gamma 0 0 + log_k 19.9 + delta_h 0 kJ + -gamma 0 0 # Id: 2819692 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Fe+3 + Edta-4 + 2H2O = Fe(OH)2(Edta)-3 + 2H+ - log_k 9.85 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Fe+3 + Edta-4 + 2 H2O = Fe(OH)2(Edta)-3 + 2 H+ + log_k 9.85 + delta_h 0 kJ + -gamma 0 0 # Id: 2819693 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Mn+2 + Edta-4 = Mn(Edta)-2 - log_k 15.6 - delta_h -19.2464 kJ - -gamma 0 0 + log_k 15.6 + delta_h -19.2464 kJ + -gamma 0 0 # Id: 4709691 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Mn+2 + Edta-4 + H+ = MnH(Edta)- - log_k 19.1 - delta_h -24.2672 kJ - -gamma 0 0 + log_k 19.1 + delta_h -24.2672 kJ + -gamma 0 0 # Id: 4709692 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cr+2 + Edta-4 = Cr(Edta)-2 - log_k 15.3 - delta_h 0 kJ - -gamma 0 0 + log_k 15.3 + delta_h 0 kJ + -gamma 0 0 # Id: 2109691 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cr+2 + Edta-4 + H+ = CrH(Edta)- - log_k 19.1 - delta_h 0 kJ - -gamma 0 0 + log_k 19.1 + delta_h 0 kJ + -gamma 0 0 # Id: 2109692 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cr(OH)2+ + Edta-4 + 2H+ = Cr(Edta)- + 2H2O - log_k 35.5 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cr(OH)2+ + Edta-4 + 2 H+ = Cr(Edta)- + 2 H2O + log_k 35.5 + delta_h 0 kJ + -gamma 0 0 # Id: 2119691 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cr(OH)2+ + Edta-4 + 3H+ = CrH(Edta) + 2H2O - log_k 37.4 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cr(OH)2+ + Edta-4 + 3 H+ = CrH(Edta) + 2 H2O + log_k 37.4 + delta_h 0 kJ + -gamma 0 0 # Id: 2119692 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cr(OH)2+ + Edta-4 + H+ = CrOH(Edta)-2 + H2O - log_k 27.7 - delta_h 0 kJ - -gamma 0 0 + log_k 27.7 + delta_h 0 kJ + -gamma 0 0 # Id: 2119693 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Be+2 + Edta-4 = Be(Edta)-2 - log_k 11.4157 - delta_h 41 kJ - -gamma 0 0 + log_k 11.4157 + delta_h 41 kJ + -gamma 0 0 # Id: 1109691 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 Mg+2 + Edta-4 = Mg(Edta)-2 - log_k 10.57 - delta_h 13.8072 kJ - -gamma 0 0 + log_k 10.57 + delta_h 13.8072 kJ + -gamma 0 0 # Id: 4609690 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Mg+2 + Edta-4 + H+ = MgH(Edta)- - log_k 14.97 - delta_h 0 kJ - -gamma 0 0 + log_k 14.97 + delta_h 0 kJ + -gamma 0 0 # Id: 4609691 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ca+2 + Edta-4 = Ca(Edta)-2 - log_k 12.42 - delta_h -25.5224 kJ - -gamma 0 0 + log_k 12.42 + delta_h -25.5224 kJ + -gamma 0 0 # Id: 1509690 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ca+2 + Edta-4 + H+ = CaH(Edta)- - log_k 15.9 - delta_h 0 kJ - -gamma 0 0 + log_k 15.9 + delta_h 0 kJ + -gamma 0 0 # Id: 1509691 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Sr+2 + Edta-4 = Sr(Edta)-2 - log_k 10.4357 - delta_h -17 kJ - -gamma 0 0 + log_k 10.4357 + delta_h -17 kJ + -gamma 0 0 # Id: 8009691 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 Sr+2 + Edta-4 + H+ = SrH(Edta)- - log_k 14.7946 - delta_h 0 kJ - -gamma 0 0 + log_k 14.7946 + delta_h 0 kJ + -gamma 0 0 # Id: 8009692 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 20.0 Ba+2 + Edta-4 = Ba(Edta)-2 - log_k 7.72 - delta_h -20.5016 kJ - -gamma 0 0 + log_k 7.72 + delta_h -20.5016 kJ + -gamma 0 0 # Id: 1009691 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Na+ + Edta-4 = Na(Edta)-3 - log_k 2.7 - delta_h -5.8576 kJ - -gamma 0 0 + log_k 2.7 + delta_h -5.8576 kJ + -gamma 0 0 # Id: 5009690 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: K+ + Edta-4 = K(Edta)-3 - log_k 1.7 - delta_h 0 kJ - -gamma 0 0 + log_k 1.7 + delta_h 0 kJ + -gamma 0 0 # Id: 4109690 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: H+ + Propionate- = H(Propionate) - log_k 4.874 - delta_h 0.66 kJ - -gamma 0 0 + log_k 4.874 + delta_h 0.66 kJ + -gamma 0 0 # Id: 3309711 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Pb+2 + Propionate- = Pb(Propionate)+ - log_k 2.64 - delta_h 0 kJ - -gamma 0 0 + log_k 2.64 + delta_h 0 kJ + -gamma 0 0 # Id: 6009711 - # log K source: NIST46.4 - # Delta H source: SCD2.62 + # log K source: NIST46.4 + # Delta H source: SCD2.62 #T and ionic strength: 0.00 35.0 -Pb+2 + 2Propionate- = Pb(Propionate)2 - log_k 3.1765 - delta_h 0 kJ - -gamma 0 0 +Pb+2 + 2 Propionate- = Pb(Propionate)2 + log_k 3.1765 + delta_h 0 kJ + -gamma 0 0 # Id: 6009712 - # log K source: NIST46.4 - # Delta H source: SCD2.62 + # log K source: NIST46.4 + # Delta H source: SCD2.62 #T and ionic strength: 2.00 25.0 Zn+2 + Propionate- = Zn(Propionate)+ - log_k 1.4389 - delta_h 0 kJ - -gamma 0 0 + log_k 1.4389 + delta_h 0 kJ + -gamma 0 0 # Id: 9509711 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 -Zn+2 + 2Propionate- = Zn(Propionate)2 - log_k 1.842 - delta_h 0 kJ - -gamma 0 0 +Zn+2 + 2 Propionate- = Zn(Propionate)2 + log_k 1.842 + delta_h 0 kJ + -gamma 0 0 # Id: 9509712 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 1.00 25.0 Cd+2 + Propionate- = Cd(Propionate)+ - log_k 1.598 - delta_h 0 kJ - -gamma 0 0 + log_k 1.598 + delta_h 0 kJ + -gamma 0 0 # Id: 1609711 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 1.00 25.0 -Cd+2 + 2Propionate- = Cd(Propionate)2 - log_k 2.472 - delta_h 0 kJ - -gamma 0 0 +Cd+2 + 2 Propionate- = Cd(Propionate)2 + log_k 2.472 + delta_h 0 kJ + -gamma 0 0 # Id: 1609712 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 1.00 25.0 -Hg(OH)2 + 2H+ + Propionate- = Hg(Propionate)+ + 2H2O - log_k 10.594 - delta_h 0 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + Propionate- = Hg(Propionate)+ + 2 H2O + log_k 10.594 + delta_h 0 kJ + -gamma 0 0 # Id: 3619711 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.00 25.0 Cu+2 + Propionate- = Cu(Propionate)+ - log_k 2.22 - delta_h 4.1 kJ - -gamma 0 0 + log_k 2.22 + delta_h 4.1 kJ + -gamma 0 0 # Id: 2319711 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Cu+2 + 2Propionate- = Cu(Propionate)2 - log_k 3.5 - delta_h 0 kJ - -gamma 0 0 +Cu+2 + 2 Propionate- = Cu(Propionate)2 + log_k 3.5 + delta_h 0 kJ + -gamma 0 0 # Id: 2319712 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.00 25.0 Ni+2 + Propionate- = Ni(Propionate)+ - log_k 0.908 - delta_h 0 kJ - -gamma 0 0 + log_k 0.908 + delta_h 0 kJ + -gamma 0 0 # Id: 5409711 - # log K source: NIST46.4 - # Delta H source: SCD2.62 + # log K source: NIST46.4 + # Delta H source: SCD2.62 #T and ionic strength: 1.00 25.0 Co+2 + Propionate- = Co(Propionate)+ - log_k 0.671 - delta_h 4.6 kJ - -gamma 0 0 + log_k 0.671 + delta_h 4.6 kJ + -gamma 0 0 # Id: 2009711 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 2.00 25.0 -Co+2 + 2Propionate- = Co(Propionate)2 - log_k 0.5565 - delta_h 16 kJ - -gamma 0 0 +Co+2 + 2 Propionate- = Co(Propionate)2 + log_k 0.5565 + delta_h 16 kJ + -gamma 0 0 # Id: 2009712 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 2.00 25.0 Fe+3 + Propionate- = Fe(Propionate)+2 - log_k 4.012 - delta_h 0 kJ - -gamma 0 0 + log_k 4.012 + delta_h 0 kJ + -gamma 0 0 # Id: 2819711 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 1.00 20.0 -Cr(OH)2+ + 2H+ + Propionate- = Cr(Propionate)+2 + 2H2O - log_k 15.0773 - delta_h 0 kJ - -gamma 0 0 +Cr(OH)2+ + 2 H+ + Propionate- = Cr(Propionate)+2 + 2 H2O + log_k 15.0773 + delta_h 0 kJ + -gamma 0 0 # Id: 2119711 - # log K source: NIST46.4 - # Delta H source: SCD2.62 + # log K source: NIST46.4 + # Delta H source: SCD2.62 #T and ionic strength: 0.50 25.0 -Cr(OH)2+ + 2H+ + 2Propionate- = Cr(Propionate)2+ + 2H2O - log_k 17.9563 - delta_h 0 kJ - -gamma 0 0 +Cr(OH)2+ + 2 H+ + 2 Propionate- = Cr(Propionate)2+ + 2 H2O + log_k 17.9563 + delta_h 0 kJ + -gamma 0 0 # Id: 2119712 - # log K source: NIST46.4 - # Delta H source: SCD2.62 + # log K source: NIST46.4 + # Delta H source: SCD2.62 #T and ionic strength: 0.50 25.0 -Cr(OH)2+ + 2H+ + 3Propionate- = Cr(Propionate)3 + 2H2O - log_k 20.8858 - delta_h 0 kJ - -gamma 0 0 +Cr(OH)2+ + 2 H+ + 3 Propionate- = Cr(Propionate)3 + 2 H2O + log_k 20.8858 + delta_h 0 kJ + -gamma 0 0 # Id: 2119713 - # log K source: NIST46.4 - # Delta H source: SCD2.62 + # log K source: NIST46.4 + # Delta H source: SCD2.62 #T and ionic strength: 0.50 25.0 Mg+2 + Propionate- = Mg(Propionate)+ - log_k 0.9689 - delta_h 4.2677 kJ - -gamma 0 0 + log_k 0.9689 + delta_h 4.2677 kJ + -gamma 0 0 # Id: 4609710 - # log K source: NIST46.4 - # Delta H source: SCD2.62 + # log K source: NIST46.4 + # Delta H source: SCD2.62 #T and ionic strength: 0.10 25.0 Ca+2 + Propionate- = Ca(Propionate)+ - log_k 0.9289 - delta_h 3.3472 kJ - -gamma 0 0 + log_k 0.9289 + delta_h 3.3472 kJ + -gamma 0 0 # Id: 1509710 - # log K source: NIST46.4 - # Delta H source: SCD2.62 + # log K source: NIST46.4 + # Delta H source: SCD2.62 #T and ionic strength: 0.10 25.0 Sr+2 + Propionate- = Sr(Propionate)+ - log_k 0.8589 - delta_h 0 kJ - -gamma 0 0 + log_k 0.8589 + delta_h 0 kJ + -gamma 0 0 # Id: 8009711 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 Ba+2 + Propionate- = Ba(Propionate)+ - log_k 0.7689 - delta_h 0 kJ - -gamma 0 0 + log_k 0.7689 + delta_h 0 kJ + -gamma 0 0 # Id: 1009711 - # log K source: NIST46.4 - # Delta H source: SCD2.62 + # log K source: NIST46.4 + # Delta H source: SCD2.62 #T and ionic strength: 0.10 25.0 -Ba+2 + 2Propionate- = Ba(Propionate)2 - log_k 0.9834 - delta_h 0 kJ - -gamma 0 0 +Ba+2 + 2 Propionate- = Ba(Propionate)2 + log_k 0.9834 + delta_h 0 kJ + -gamma 0 0 # Id: 1009712 - # log K source: NIST46.4 - # Delta H source: SCD2.62 + # log K source: NIST46.4 + # Delta H source: SCD2.62 #T and ionic strength: 0.10 25.0 H+ + Butyrate- = H(Butyrate) - log_k 4.819 - delta_h 2.8 kJ - -gamma 0 0 + log_k 4.819 + delta_h 2.8 kJ + -gamma 0 0 # Id: 3309721 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Pb+2 + Butyrate- = Pb(Butyrate)+ - log_k 2.101 - delta_h 0 kJ - -gamma 0 0 + log_k 2.101 + delta_h 0 kJ + -gamma 0 0 # Id: 6009721 - # log K source: NIST46.4 - # Delta H source: SCD2.62 + # log K source: NIST46.4 + # Delta H source: SCD2.62 #T and ionic strength: 2.00 25.0 Zn+2 + Butyrate- = Zn(Butyrate)+ - log_k 1.4289 - delta_h 0 kJ - -gamma 0 0 + log_k 1.4289 + delta_h 0 kJ + -gamma 0 0 # Id: 9509721 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 -Hg(OH)2 + 2H+ + Butyrate- = Hg(Butyrate)+ + 2H2O - log_k 10.3529 - delta_h 0 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + Butyrate- = Hg(Butyrate)+ + 2 H2O + log_k 10.3529 + delta_h 0 kJ + -gamma 0 0 # Id: 3619721 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 Cu+2 + Butyrate- = Cu(Butyrate)+ - log_k 2.14 - delta_h 0 kJ - -gamma 0 0 + log_k 2.14 + delta_h 0 kJ + -gamma 0 0 # Id: 2319721 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.00 25.0 Ni+2 + Butyrate- = Ni(Butyrate)+ - log_k 0.691 - delta_h 0 kJ - -gamma 0 0 + log_k 0.691 + delta_h 0 kJ + -gamma 0 0 # Id: 5409721 - # log K source: NIST46.4 - # Delta H source: SCD2.62 + # log K source: NIST46.4 + # Delta H source: SCD2.62 #T and ionic strength: 2.00 25.0 Co+2 + Butyrate- = Co(Butyrate)+ - log_k 0.591 - delta_h 0 kJ - -gamma 0 0 + log_k 0.591 + delta_h 0 kJ + -gamma 0 0 # Id: 2009721 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 2.00 25.0 -Co+2 + 2Butyrate- = Co(Butyrate)2 - log_k 0.7765 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 2 Butyrate- = Co(Butyrate)2 + log_k 0.7765 + delta_h 0 kJ + -gamma 0 0 # Id: 2009722 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 2.00 25.0 Mg+2 + Butyrate- = Mg(Butyrate)+ - log_k 0.9589 - delta_h 0 kJ - -gamma 0 0 + log_k 0.9589 + delta_h 0 kJ + -gamma 0 0 # Id: 4609720 - # log K source: NIST46.4 - # Delta H source: SCD2.62 + # log K source: NIST46.4 + # Delta H source: SCD2.62 #T and ionic strength: 0.10 25.0 Ca+2 + Butyrate- = Ca(Butyrate)+ - log_k 0.9389 - delta_h 3.3472 kJ - -gamma 0 0 + log_k 0.9389 + delta_h 3.3472 kJ + -gamma 0 0 # Id: 1509720 - # log K source: NIST46.4 - # Delta H source: SCD2.62 + # log K source: NIST46.4 + # Delta H source: SCD2.62 #T and ionic strength: 0.10 25.0 Sr+2 + Butyrate- = Sr(Butyrate)+ - log_k 0.7889 - delta_h 0 kJ - -gamma 0 0 + log_k 0.7889 + delta_h 0 kJ + -gamma 0 0 # Id: 8009721 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 Ba+2 + Butyrate- = Ba(Butyrate)+ - log_k 0.7389 - delta_h 0 kJ - -gamma 0 0 + log_k 0.7389 + delta_h 0 kJ + -gamma 0 0 # Id: 1009721 - # log K source: NIST46.4 - # Delta H source: SCD2.62 + # log K source: NIST46.4 + # Delta H source: SCD2.62 #T and ionic strength: 0.10 25.0 -Ba+2 + 2Butyrate- = Ba(Butyrate)2 - log_k 0.88 - delta_h 0 kJ - -gamma 0 0 +Ba+2 + 2 Butyrate- = Ba(Butyrate)2 + log_k 0.88 + delta_h 0 kJ + -gamma 0 0 # Id: 1009722 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: H+ + Isobutyrate- = H(Isobutyrate) - log_k 4.849 - delta_h 3.2217 kJ - -gamma 0 0 + log_k 4.849 + delta_h 3.2217 kJ + -gamma 0 0 # Id: 3309731 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Isobutyrate- = Zn(Isobutyrate)+ - log_k 1.44 - delta_h 0 kJ - -gamma 0 0 + log_k 1.44 + delta_h 0 kJ + -gamma 0 0 # Id: 9509731 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Isobutyrate- = Cu(Isobutyrate)+ - log_k 2.17 - delta_h 0 kJ - -gamma 0 0 + log_k 2.17 + delta_h 0 kJ + -gamma 0 0 # Id: 2319731 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + 2Isobutyrate- = Cu(Isobutyrate)2 - log_k 3.3 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + 2 Isobutyrate- = Cu(Isobutyrate)2 + log_k 3.3 + delta_h 0 kJ + -gamma 0 0 # Id: 2319732 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Fe+3 + Isobutyrate- = Fe(Isobutyrate)+2 - log_k 4.2 - delta_h 0 kJ - -gamma 0 0 + log_k 4.2 + delta_h 0 kJ + -gamma 0 0 # Id: 2819731 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ca+2 + Isobutyrate- = Ca(Isobutyrate)+ - log_k 0.51 - delta_h 0 kJ - -gamma 0 0 + log_k 0.51 + delta_h 0 kJ + -gamma 0 0 # Id: 1509731 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: H+ + Two_picoline = H(Two_picoline)+ - log_k 5.95 - delta_h -25.5224 kJ - -gamma 0 0 + log_k 5.95 + delta_h -25.5224 kJ + -gamma 0 0 # Id: 3309801 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Two_picoline = Cu(Two_picoline)+2 - log_k 1.3 - delta_h 0 kJ - -gamma 0 0 + log_k 1.3 + delta_h 0 kJ + -gamma 0 0 # Id: 2319801 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + 2Two_picoline = Cu(Two_picoline)2+2 - log_k 2.8 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + 2 Two_picoline = Cu(Two_picoline)2+2 + log_k 2.8 + delta_h 0 kJ + -gamma 0 0 # Id: 2319802 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+ + Two_picoline = Cu(Two_picoline)+ - log_k 5.4 - delta_h 0 kJ - -gamma 0 0 + log_k 5.4 + delta_h 0 kJ + -gamma 0 0 # Id: 2309801 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+ + 2Two_picoline = Cu(Two_picoline)2+ - log_k 7.65 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+ + 2 Two_picoline = Cu(Two_picoline)2+ + log_k 7.65 + delta_h 0 kJ + -gamma 0 0 # Id: 2309802 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+ + 3Two_picoline = Cu(Two_picoline)3+ - log_k 8.5 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+ + 3 Two_picoline = Cu(Two_picoline)3+ + log_k 8.5 + delta_h 0 kJ + -gamma 0 0 # Id: 2309803 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ag+ + Two_picoline = Ag(Two_picoline)+ - log_k 2.32 - delta_h -24.2672 kJ - -gamma 0 0 + log_k 2.32 + delta_h -24.2672 kJ + -gamma 0 0 # Id: 209801 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ag+ + 2Two_picoline = Ag(Two_picoline)2+ - log_k 4.68 - delta_h -42.6768 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ag+ + 2 Two_picoline = Ag(Two_picoline)2+ + log_k 4.68 + delta_h -42.6768 kJ + -gamma 0 0 # Id: 209802 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Two_picoline = Ni(Two_picoline)+2 - log_k 0.4 - delta_h 0 kJ - -gamma 0 0 + log_k 0.4 + delta_h 0 kJ + -gamma 0 0 # Id: 5409801 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: H+ + Three_picoline = H(Three_picoline)+ - log_k 5.7 - delta_h -23.8488 kJ - -gamma 0 0 + log_k 5.7 + delta_h -23.8488 kJ + -gamma 0 0 # Id: 3309811 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Three_picoline = Zn(Three_picoline)+2 - log_k 1 - delta_h 0 kJ - -gamma 0 0 + log_k 1 + delta_h 0 kJ + -gamma 0 0 # Id: 9509811 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Zn+2 + 2Three_picoline = Zn(Three_picoline)2+2 - log_k 2.1 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Zn+2 + 2 Three_picoline = Zn(Three_picoline)2+2 + log_k 2.1 + delta_h 0 kJ + -gamma 0 0 # Id: 9509812 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Zn+2 + 3Three_picoline = Zn(Three_picoline)3+2 - log_k 2.6 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Zn+2 + 3 Three_picoline = Zn(Three_picoline)3+2 + log_k 2.6 + delta_h 0 kJ + -gamma 0 0 # Id: 9509813 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Zn+2 + 4Three_picoline = Zn(Three_picoline)4+2 - log_k 3.7 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Zn+2 + 4 Three_picoline = Zn(Three_picoline)4+2 + log_k 3.7 + delta_h 0 kJ + -gamma 0 0 # Id: 9509814 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cd+2 + Three_picoline = Cd(Three_picoline)+2 - log_k 1.42 - delta_h 0 kJ - -gamma 0 0 + log_k 1.42 + delta_h 0 kJ + -gamma 0 0 # Id: 1609811 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cd+2 + 2Three_picoline = Cd(Three_picoline)2+2 - log_k 2.27 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cd+2 + 2 Three_picoline = Cd(Three_picoline)2+2 + log_k 2.27 + delta_h 0 kJ + -gamma 0 0 # Id: 1609812 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cd+2 + 3Three_picoline = Cd(Three_picoline)3+2 - log_k 3.6 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cd+2 + 3 Three_picoline = Cd(Three_picoline)3+2 + log_k 3.6 + delta_h 0 kJ + -gamma 0 0 # Id: 1609813 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cd+2 + 4Three_picoline = Cd(Three_picoline)4+2 - log_k 4 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cd+2 + 4 Three_picoline = Cd(Three_picoline)4+2 + log_k 4 + delta_h 0 kJ + -gamma 0 0 # Id: 1609814 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+ + Three_picoline = Cu(Three_picoline)+ - log_k 5.6 - delta_h 0 kJ - -gamma 0 0 + log_k 5.6 + delta_h 0 kJ + -gamma 0 0 # Id: 2309811 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+ + 2Three_picoline = Cu(Three_picoline)2+ - log_k 7.78 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+ + 2 Three_picoline = Cu(Three_picoline)2+ + log_k 7.78 + delta_h 0 kJ + -gamma 0 0 # Id: 2309812 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+ + 3Three_picoline = Cu(Three_picoline)3+ - log_k 8.6 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+ + 3 Three_picoline = Cu(Three_picoline)3+ + log_k 8.6 + delta_h 0 kJ + -gamma 0 0 # Id: 2309813 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+ + 4Three_picoline = Cu(Three_picoline)4+ - log_k 9 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+ + 4 Three_picoline = Cu(Three_picoline)4+ + log_k 9 + delta_h 0 kJ + -gamma 0 0 # Id: 2309814 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Three_picoline = Cu(Three_picoline)+2 - log_k 2.77 - delta_h 0 kJ - -gamma 0 0 + log_k 2.77 + delta_h 0 kJ + -gamma 0 0 # Id: 2319811 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + 2Three_picoline = Cu(Three_picoline)2+2 - log_k 4.8 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + 2 Three_picoline = Cu(Three_picoline)2+2 + log_k 4.8 + delta_h 0 kJ + -gamma 0 0 # Id: 2319812 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + 3Three_picoline = Cu(Three_picoline)3+2 - log_k 6.3 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + 3 Three_picoline = Cu(Three_picoline)3+2 + log_k 6.3 + delta_h 0 kJ + -gamma 0 0 # Id: 2319813 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + 4Three_picoline = Cu(Three_picoline)4+2 - log_k 7.2 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + 4 Three_picoline = Cu(Three_picoline)4+2 + log_k 7.2 + delta_h 0 kJ + -gamma 0 0 # Id: 2319814 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ag+ + Three_picoline = Ag(Three_picoline)+ - log_k 2.2 - delta_h -21.7568 kJ - -gamma 0 0 + log_k 2.2 + delta_h -21.7568 kJ + -gamma 0 0 # Id: 209811 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ag+ + 2Three_picoline = Ag(Three_picoline)2+ - log_k 4.46 - delta_h -49.7896 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ag+ + 2 Three_picoline = Ag(Three_picoline)2+ + log_k 4.46 + delta_h -49.7896 kJ + -gamma 0 0 # Id: 209812 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Three_picoline = Ni(Three_picoline)+2 - log_k 1.87 - delta_h 0 kJ - -gamma 0 0 + log_k 1.87 + delta_h 0 kJ + -gamma 0 0 # Id: 5409811 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ni+2 + 2Three_picoline = Ni(Three_picoline)2+2 - log_k 3.3 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ni+2 + 2 Three_picoline = Ni(Three_picoline)2+2 + log_k 3.3 + delta_h 0 kJ + -gamma 0 0 # Id: 5409812 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ni+2 + 3Three_picoline = Ni(Three_picoline)3+2 - log_k 4.1 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ni+2 + 3 Three_picoline = Ni(Three_picoline)3+2 + log_k 4.1 + delta_h 0 kJ + -gamma 0 0 # Id: 5409813 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ni+2 + 4Three_picoline = Ni(Three_picoline)4+2 - log_k 4.6 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ni+2 + 4 Three_picoline = Ni(Three_picoline)4+2 + log_k 4.6 + delta_h 0 kJ + -gamma 0 0 # Id: 5409814 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Co+2 + Three_picoline = Co(Three_picoline)+2 - log_k 1.4 - delta_h 0 kJ - -gamma 0 0 + log_k 1.4 + delta_h 0 kJ + -gamma 0 0 # Id: 2009811 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.50 25.0 -Co+2 + 2Three_picoline = Co(Three_picoline)2+2 - log_k 2.2 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 2 Three_picoline = Co(Three_picoline)2+2 + log_k 2.2 + delta_h 0 kJ + -gamma 0 0 # Id: 2009812 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.50 25.0 -Co+2 + 3Three_picoline = Co(Three_picoline)3+2 - log_k 2.5 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 3 Three_picoline = Co(Three_picoline)3+2 + log_k 2.5 + delta_h 0 kJ + -gamma 0 0 # Id: 2009813 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.50 25.0 H+ + Four_picoline = H(Four_picoline)+ - log_k 6.03 - delta_h -25.3132 kJ - -gamma 0 0 + log_k 6.03 + delta_h -25.3132 kJ + -gamma 0 0 # Id: 3309821 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Four_picoline = Zn(Four_picoline)+2 - log_k 1.4 - delta_h 0 kJ - -gamma 0 0 + log_k 1.4 + delta_h 0 kJ + -gamma 0 0 # Id: 9509821 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Zn+2 + 2Four_picoline = Zn(Four_picoline)2+2 - log_k 2.11 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Zn+2 + 2 Four_picoline = Zn(Four_picoline)2+2 + log_k 2.11 + delta_h 0 kJ + -gamma 0 0 # Id: 9509822 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Zn+2 + 3Four_picoline = Zn(Four_picoline)3+2 - log_k 2.85 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Zn+2 + 3 Four_picoline = Zn(Four_picoline)3+2 + log_k 2.85 + delta_h 0 kJ + -gamma 0 0 # Id: 9509823 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cd+2 + Four_picoline = Cd(Four_picoline)+2 - log_k 1.59 - delta_h 0 kJ - -gamma 0 0 + log_k 1.59 + delta_h 0 kJ + -gamma 0 0 # Id: 1609821 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cd+2 + 2Four_picoline = Cd(Four_picoline)2+2 - log_k 2.4 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cd+2 + 2 Four_picoline = Cd(Four_picoline)2+2 + log_k 2.4 + delta_h 0 kJ + -gamma 0 0 # Id: 1609822 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cd+2 + 3Four_picoline = Cd(Four_picoline)3+2 - log_k 3.18 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cd+2 + 3 Four_picoline = Cd(Four_picoline)3+2 + log_k 3.18 + delta_h 0 kJ + -gamma 0 0 # Id: 1609823 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cd+2 + 4Four_picoline = Cd(Four_picoline)4+2 - log_k 4 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cd+2 + 4 Four_picoline = Cd(Four_picoline)4+2 + log_k 4 + delta_h 0 kJ + -gamma 0 0 # Id: 1609824 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+ + Four_picoline = Cu(Four_picoline)+ - log_k 5.65 - delta_h 0 kJ - -gamma 0 0 + log_k 5.65 + delta_h 0 kJ + -gamma 0 0 # Id: 2309821 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+ + 2Four_picoline = Cu(Four_picoline)2+ - log_k 8.2 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+ + 2 Four_picoline = Cu(Four_picoline)2+ + log_k 8.2 + delta_h 0 kJ + -gamma 0 0 # Id: 2309822 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+ + 3Four_picoline = Cu(Four_picoline)3+ - log_k 8.8 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+ + 3 Four_picoline = Cu(Four_picoline)3+ + log_k 8.8 + delta_h 0 kJ + -gamma 0 0 # Id: 2309823 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+ + 4Four_picoline = Cu(Four_picoline)4+ - log_k 9.2 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+ + 4 Four_picoline = Cu(Four_picoline)4+ + log_k 9.2 + delta_h 0 kJ + -gamma 0 0 # Id: 2309824 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Four_picoline = Cu(Four_picoline)+2 - log_k 2.88 - delta_h 0 kJ - -gamma 0 0 + log_k 2.88 + delta_h 0 kJ + -gamma 0 0 # Id: 2319821 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + 2Four_picoline = Cu(Four_picoline)2+2 - log_k 5.16 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + 2 Four_picoline = Cu(Four_picoline)2+2 + log_k 5.16 + delta_h 0 kJ + -gamma 0 0 # Id: 2319822 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + 3Four_picoline = Cu(Four_picoline)3+2 - log_k 6.77 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + 3 Four_picoline = Cu(Four_picoline)3+2 + log_k 6.77 + delta_h 0 kJ + -gamma 0 0 # Id: 2319823 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + 4Four_picoline = Cu(Four_picoline)4+2 - log_k 8.08 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + 4 Four_picoline = Cu(Four_picoline)4+2 + log_k 8.08 + delta_h 0 kJ + -gamma 0 0 # Id: 2319824 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + 5Four_picoline = Cu(Four_picoline)5+2 - log_k 8.3 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + 5 Four_picoline = Cu(Four_picoline)5+2 + log_k 8.3 + delta_h 0 kJ + -gamma 0 0 # Id: 2319825 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ag+ + Four_picoline = Ag(Four_picoline)+ - log_k 2.03 - delta_h -25.5224 kJ - -gamma 0 0 + log_k 2.03 + delta_h -25.5224 kJ + -gamma 0 0 # Id: 209821 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ag+ + 2Four_picoline = Ag(Four_picoline)2+ - log_k 4.39 - delta_h -53.5552 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ag+ + 2 Four_picoline = Ag(Four_picoline)2+ + log_k 4.39 + delta_h -53.5552 kJ + -gamma 0 0 # Id: 209822 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Four_picoline = Ni(Four_picoline)+2 - log_k 2.11 - delta_h 0 kJ - -gamma 0 0 + log_k 2.11 + delta_h 0 kJ + -gamma 0 0 # Id: 5409821 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ni+2 + 2Four_picoline = Ni(Four_picoline)2+2 - log_k 3.59 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ni+2 + 2 Four_picoline = Ni(Four_picoline)2+2 + log_k 3.59 + delta_h 0 kJ + -gamma 0 0 # Id: 5409822 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ni+2 + 3Four_picoline = Ni(Four_picoline)3+2 - log_k 4.34 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ni+2 + 3 Four_picoline = Ni(Four_picoline)3+2 + log_k 4.34 + delta_h 0 kJ + -gamma 0 0 # Id: 5409823 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ni+2 + 4Four_picoline = Ni(Four_picoline)4+2 - log_k 4.7 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ni+2 + 4 Four_picoline = Ni(Four_picoline)4+2 + log_k 4.7 + delta_h 0 kJ + -gamma 0 0 # Id: 5409824 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Co+2 + Four_picoline = Co(Four_picoline)+2 - log_k 1.56 - delta_h 0 kJ - -gamma 0 0 + log_k 1.56 + delta_h 0 kJ + -gamma 0 0 # Id: 2009821 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.50 25.0 -Co+2 + 2Four_picoline = Co(Four_picoline)2+2 - log_k 2.51 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 2 Four_picoline = Co(Four_picoline)2+2 + log_k 2.51 + delta_h 0 kJ + -gamma 0 0 # Id: 2009822 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.50 25.0 -Co+2 + 3Four_picoline = Co(Four_picoline)3+2 - log_k 2.94 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 3 Four_picoline = Co(Four_picoline)3+2 + log_k 2.94 + delta_h 0 kJ + -gamma 0 0 # Id: 2009823 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.50 25.0 -Co+2 + 4Four_picoline = Co(Four_picoline)4+2 - log_k 3.17 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 4 Four_picoline = Co(Four_picoline)4+2 + log_k 3.17 + delta_h 0 kJ + -gamma 0 0 # Id: 2009824 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.50 25.0 H+ + Formate- = H(Formate) - log_k 3.745 - delta_h 0.1674 kJ - -gamma 0 0 + log_k 3.745 + delta_h 0.1674 kJ + -gamma 0 0 # Id: 3309831 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Pb+2 + Formate- = Pb(Formate)+ - log_k 2.2 - delta_h 0 kJ - -gamma 0 0 + log_k 2.2 + delta_h 0 kJ + -gamma 0 0 # Id: 6009831 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Zn+2 + Formate- = Zn(Formate)+ - log_k 1.44 - delta_h 0 kJ - -gamma 0 0 + log_k 1.44 + delta_h 0 kJ + -gamma 0 0 # Id: 9509831 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cd+2 + Formate- = Cd(Formate)+ - log_k 1.7 - delta_h 0 kJ - -gamma 0 0 + log_k 1.7 + delta_h 0 kJ + -gamma 0 0 # Id: 1609831 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Hg(OH)2 + Formate- + 2H+ = Hg(Formate)+ + 2H2O - log_k 9.6 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Hg(OH)2 + Formate- + 2 H+ = Hg(Formate)+ + 2 H2O + log_k 9.6 + delta_h 0 kJ + -gamma 0 0 # Id: 3619831 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Formate- = Cu(Formate)+ - log_k 2 - delta_h 0 kJ - -gamma 0 0 + log_k 2 + delta_h 0 kJ + -gamma 0 0 # Id: 2319831 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Formate- = Ni(Formate)+ - log_k 1.22 - delta_h 0 kJ - -gamma 0 0 + log_k 1.22 + delta_h 0 kJ + -gamma 0 0 # Id: 5409831 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Co+2 + Formate- = Co(Formate)+ - log_k 1.209 - delta_h 0 kJ - -gamma 0 0 + log_k 1.209 + delta_h 0 kJ + -gamma 0 0 # Id: 2009831 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.50 30.0 -Co+2 + 2Formate- = Co(Formate)2 - log_k 1.1365 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 2 Formate- = Co(Formate)2 + log_k 1.1365 + delta_h 0 kJ + -gamma 0 0 # Id: 2009832 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 2.00 25.0 Cr+2 + Formate- = Cr(Formate)+ - log_k 1.07 - delta_h 0 kJ - -gamma 0 0 + log_k 1.07 + delta_h 0 kJ + -gamma 0 0 # Id: 2109831 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Mg+2 + Formate- = Mg(Formate)+ - log_k 1.43 - delta_h 0 kJ - -gamma 0 0 + log_k 1.43 + delta_h 0 kJ + -gamma 0 0 # Id: 4609831 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ca+2 + Formate- = Ca(Formate)+ - log_k 1.43 - delta_h 4.184 kJ - -gamma 0 0 + log_k 1.43 + delta_h 4.184 kJ + -gamma 0 0 # Id: 1509831 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Sr+2 + Formate- = Sr(Formate)+ - log_k 1.39 - delta_h 4 kJ - -gamma 0 0 + log_k 1.39 + delta_h 4 kJ + -gamma 0 0 # Id: 8009831 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Ba+2 + Formate- = Ba(Formate)+ - log_k 1.38 - delta_h 0 kJ - -gamma 0 0 + log_k 1.38 + delta_h 0 kJ + -gamma 0 0 # Id: 1009831 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: H+ + Isovalerate- = H(Isovalerate) - log_k 4.781 - delta_h 4.5606 kJ - -gamma 0 0 + log_k 4.781 + delta_h 4.5606 kJ + -gamma 0 0 # Id: 3309841 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Isovalerate- = Zn(Isovalerate)+ - log_k 1.39 - delta_h 0 kJ - -gamma 0 0 + log_k 1.39 + delta_h 0 kJ + -gamma 0 0 # Id: 9509841 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Isovalerate- = Cu(Isovalerate)+ - log_k 2.08 - delta_h 0 kJ - -gamma 0 0 + log_k 2.08 + delta_h 0 kJ + -gamma 0 0 # Id: 2319841 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ca+2 + Isovalerate- = Ca(Isovalerate)+ - log_k 0.2 - delta_h 0 kJ - -gamma 0 0 + log_k 0.2 + delta_h 0 kJ + -gamma 0 0 # Id: 1509841 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: H+ + Valerate- = H(Valerate) - log_k 4.843 - delta_h 2.887 kJ - -gamma 0 0 + log_k 4.843 + delta_h 2.887 kJ + -gamma 0 0 # Id: 3309851 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Valerate- = Cu(Valerate)+ - log_k 2.12 - delta_h 0 kJ - -gamma 0 0 + log_k 2.12 + delta_h 0 kJ + -gamma 0 0 # Id: 2319851 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ca+2 + Valerate- = Ca(Valerate)+ - log_k 0.3 - delta_h 0 kJ - -gamma 0 0 + log_k 0.3 + delta_h 0 kJ + -gamma 0 0 # Id: 1509851 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Ba+2 + Valerate- = Ba(Valerate)+ - log_k -0.2 - delta_h 0 kJ - -gamma 0 0 + log_k -0.2 + delta_h 0 kJ + -gamma 0 0 # Id: 1009851 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: H+ + Acetate- = H(Acetate) - log_k 4.757 - delta_h 0.41 kJ - -gamma 0 0 + log_k 4.757 + delta_h 0.41 kJ + -gamma 0 0 # Id: 3309921 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Sn(OH)2 + 2H+ + Acetate- = Sn(Acetate)+ + 2H2O - log_k 10.0213 - delta_h 0 kJ - -gamma 0 0 +Sn(OH)2 + 2 H+ + Acetate- = Sn(Acetate)+ + 2 H2O + log_k 10.0213 + delta_h 0 kJ + -gamma 0 0 # Id: 7909921 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 3.00 25.0 -Sn(OH)2 + 2H+ + 2Acetate- = Sn(Acetate)2 + 2H2O - log_k 12.32 - delta_h 0 kJ - -gamma 0 0 +Sn(OH)2 + 2 H+ + 2 Acetate- = Sn(Acetate)2 + 2 H2O + log_k 12.32 + delta_h 0 kJ + -gamma 0 0 # Id: 7909922 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 3.00 25.0 -Sn(OH)2 + 2H+ + 3Acetate- = Sn(Acetate)3- + 2H2O - log_k 13.55 - delta_h 0 kJ - -gamma 0 0 +Sn(OH)2 + 2 H+ + 3 Acetate- = Sn(Acetate)3- + 2 H2O + log_k 13.55 + delta_h 0 kJ + -gamma 0 0 # Id: 7909923 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 3.00 25.0 Pb+2 + Acetate- = Pb(Acetate)+ - log_k 2.68 - delta_h -0.4 kJ - -gamma 0 0 + log_k 2.68 + delta_h -0.4 kJ + -gamma 0 0 # Id: 6009921 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Pb+2 + 2Acetate- = Pb(Acetate)2 - log_k 4.08 - delta_h -0.8 kJ - -gamma 0 0 +Pb+2 + 2 Acetate- = Pb(Acetate)2 + log_k 4.08 + delta_h -0.8 kJ + -gamma 0 0 # Id: 6009922 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Tl+ + Acetate- = Tl(Acetate) - log_k -0.11 - delta_h 0 kJ - -gamma 0 0 + log_k -0.11 + delta_h 0 kJ + -gamma 0 0 # Id: 8709921 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.00 25.0 Zn+2 + Acetate- = Zn(Acetate)+ - log_k 1.58 - delta_h 8.3 kJ - -gamma 0 0 + log_k 1.58 + delta_h 8.3 kJ + -gamma 0 0 # Id: 9509921 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Zn+2 + 2Acetate- = Zn(Acetate)2 - log_k 2.6434 - delta_h 22 kJ - -gamma 0 0 +Zn+2 + 2 Acetate- = Zn(Acetate)2 + log_k 2.6434 + delta_h 22 kJ + -gamma 0 0 # Id: 9509922 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 Cd+2 + Acetate- = Cd(Acetate)+ - log_k 1.93 - delta_h 9.6 kJ - -gamma 0 0 + log_k 1.93 + delta_h 9.6 kJ + -gamma 0 0 # Id: 1609921 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Cd+2 + 2Acetate- = Cd(Acetate)2 - log_k 2.86 - delta_h 15 kJ - -gamma 0 0 +Cd+2 + 2 Acetate- = Cd(Acetate)2 + log_k 2.86 + delta_h 15 kJ + -gamma 0 0 # Id: 1609922 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Hg(OH)2 + 2H+ + Acetate- = Hg(Acetate)+ + 2H2O - log_k 10.494 - delta_h 0 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + Acetate- = Hg(Acetate)+ + 2 H2O + log_k 10.494 + delta_h 0 kJ + -gamma 0 0 # Id: 3619920 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.00 25.0 -Hg(OH)2 + 2H+ + 2Acetate- = Hg(Acetate)2 + 2H2O - log_k 13.83 - delta_h 0 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + 2 Acetate- = Hg(Acetate)2 + 2 H2O + log_k 13.83 + delta_h 0 kJ + -gamma 0 0 # Id: 3619921 - # log K source: NIST46.4 - # Delta H source: SCD2.62 + # log K source: NIST46.4 + # Delta H source: SCD2.62 #T and ionic strength: 3.00 25.0 Cu+2 + Acetate- = Cu(Acetate)+ - log_k 2.21 - delta_h 7.1 kJ - -gamma 0 0 + log_k 2.21 + delta_h 7.1 kJ + -gamma 0 0 # Id: 2319921 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Cu+2 + 2Acetate- = Cu(Acetate)2 - log_k 3.4 - delta_h 12 kJ - -gamma 0 0 +Cu+2 + 2 Acetate- = Cu(Acetate)2 + log_k 3.4 + delta_h 12 kJ + -gamma 0 0 # Id: 2319922 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Cu+2 + 3Acetate- = Cu(Acetate)3- - log_k 3.9434 - delta_h 6.2 kJ - -gamma 0 0 +Cu+2 + 3 Acetate- = Cu(Acetate)3- + log_k 3.9434 + delta_h 6.2 kJ + -gamma 0 0 # Id: 2319923 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 Ag+ + Acetate- = Ag(Acetate) - log_k 0.73 - delta_h 3 kJ - -gamma 0 0 + log_k 0.73 + delta_h 3 kJ + -gamma 0 0 # Id: 209921 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Ag+ + 2Acetate- = Ag(Acetate)2- - log_k 0.64 - delta_h 3 kJ - -gamma 0 0 +Ag+ + 2 Acetate- = Ag(Acetate)2- + log_k 0.64 + delta_h 3 kJ + -gamma 0 0 # Id: 209922 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Ni+2 + Acetate- = Ni(Acetate)+ - log_k 1.37 - delta_h 8.7 kJ - -gamma 0 0 + log_k 1.37 + delta_h 8.7 kJ + -gamma 0 0 # Id: 5409921 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Ni+2 + 2Acetate- = Ni(Acetate)2 - log_k 2.1 - delta_h 10 kJ - -gamma 0 0 +Ni+2 + 2 Acetate- = Ni(Acetate)2 + log_k 2.1 + delta_h 10 kJ + -gamma 0 0 # Id: 5409922 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Co+2 + Acetate- = Co(Acetate)+ - log_k 1.38 - delta_h 0 kJ - -gamma 0 0 + log_k 1.38 + delta_h 0 kJ + -gamma 0 0 # Id: 2009921 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.00 25.0 -Co+2 + 2Acetate- = Co(Acetate)2 - log_k 0.7565 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 2 Acetate- = Co(Acetate)2 + log_k 0.7565 + delta_h 0 kJ + -gamma 0 0 # Id: 2009922 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 2.00 25.0 Fe+2 + Acetate- = Fe(Acetate)+ - log_k 1.4 - delta_h 0 kJ - -gamma 0 0 + log_k 1.4 + delta_h 0 kJ + -gamma 0 0 # Id: 2809920 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.00 25.0 Fe+3 + Acetate- = Fe(Acetate)+2 - log_k 4.0234 - delta_h 0 kJ - -gamma 0 0 + log_k 4.0234 + delta_h 0 kJ + -gamma 0 0 # Id: 2819920 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 20.0 -Fe+3 + 2Acetate- = Fe(Acetate)2+ - log_k 7.5723 - delta_h 0 kJ - -gamma 0 0 +Fe+3 + 2 Acetate- = Fe(Acetate)2+ + log_k 7.5723 + delta_h 0 kJ + -gamma 0 0 # Id: 2819921 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 20.0 -Fe+3 + 3Acetate- = Fe(Acetate)3 - log_k 9.5867 - delta_h 0 kJ - -gamma 0 0 +Fe+3 + 3 Acetate- = Fe(Acetate)3 + log_k 9.5867 + delta_h 0 kJ + -gamma 0 0 # Id: 2819922 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 20.0 Mn+2 + Acetate- = Mn(Acetate)+ - log_k 1.4 - delta_h 0 kJ - -gamma 0 0 + log_k 1.4 + delta_h 0 kJ + -gamma 0 0 # Id: 4709920 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.00 25.0 Cr+2 + Acetate- = Cr(Acetate)+ - log_k 1.8 - delta_h 0 kJ - -gamma 0 0 + log_k 1.8 + delta_h 0 kJ + -gamma 0 0 # Id: 2109921 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.00 25.0 -Cr+2 + 2Acetate- = Cr(Acetate)2 - log_k 2.92 - delta_h 0 kJ - -gamma 0 0 +Cr+2 + 2 Acetate- = Cr(Acetate)2 + log_k 2.92 + delta_h 0 kJ + -gamma 0 0 # Id: 2109922 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.00 25.0 -Cr(OH)2+ + 2H+ + Acetate- = Cr(Acetate)+2 + 2H2O - log_k 15.0073 - delta_h -125.62 kJ - -gamma 0 0 +Cr(OH)2+ + 2 H+ + Acetate- = Cr(Acetate)+2 + 2 H2O + log_k 15.0073 + delta_h -125.62 kJ + -gamma 0 0 # Id: 2119921 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.50 25.0 -Cr(OH)2+ + 2H+ + 2Acetate- = Cr(Acetate)2+ + 2H2O - log_k 17.9963 - delta_h -117.62 kJ - -gamma 0 0 +Cr(OH)2+ + 2 H+ + 2 Acetate- = Cr(Acetate)2+ + 2 H2O + log_k 17.9963 + delta_h -117.62 kJ + -gamma 0 0 # Id: 2119922 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.50 25.0 -Cr(OH)2+ + 2H+ + 3Acetate- = Cr(Acetate)3 + 2H2O - log_k 20.7858 - delta_h -96.62 kJ - -gamma 0 0 +Cr(OH)2+ + 2 H+ + 3 Acetate- = Cr(Acetate)3 + 2 H2O + log_k 20.7858 + delta_h -96.62 kJ + -gamma 0 0 # Id: 2119923 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.50 25.0 Be+2 + Acetate- = Be(Acetate)+ - log_k 2.0489 - delta_h 0 kJ - -gamma 0 0 + log_k 2.0489 + delta_h 0 kJ + -gamma 0 0 # Id: 1109921 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 -Be+2 + 2Acetate- = Be(Acetate)2 - log_k 3.0034 - delta_h 0 kJ - -gamma 0 0 +Be+2 + 2 Acetate- = Be(Acetate)2 + log_k 3.0034 + delta_h 0 kJ + -gamma 0 0 # Id: 1109922 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 Mg+2 + Acetate- = Mg(Acetate)+ - log_k 1.27 - delta_h 0 kJ - -gamma 0 0 + log_k 1.27 + delta_h 0 kJ + -gamma 0 0 # Id: 4609920 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.00 25.0 Ca+2 + Acetate- = Ca(Acetate)+ - log_k 1.18 - delta_h 4 kJ - -gamma 0 0 + log_k 1.18 + delta_h 4 kJ + -gamma 0 0 # Id: 1509920 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Sr+2 + Acetate- = Sr(Acetate)+ - log_k 1.14 - delta_h 0 kJ - -gamma 0 0 + log_k 1.14 + delta_h 0 kJ + -gamma 0 0 # Id: 8009921 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.00 25.0 Ba+2 + Acetate- = Ba(Acetate)+ - log_k 1.07 - delta_h 0 kJ - -gamma 0 0 + log_k 1.07 + delta_h 0 kJ + -gamma 0 0 # Id: 1009921 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.00 25.0 Na+ + Acetate- = Na(Acetate) - log_k -0.18 - delta_h 12 kJ - -gamma 0 0 + log_k -0.18 + delta_h 12 kJ + -gamma 0 0 # Id: 5009920 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 K+ + Acetate- = K(Acetate) - log_k -0.1955 - delta_h 4.184 kJ - -gamma 0 0 + log_k -0.1955 + delta_h 4.184 kJ + -gamma 0 0 # Id: 4109921 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 H+ + Tartarate-2 = H(Tartarate)- - log_k 4.366 - delta_h -0.7531 kJ - -gamma 0 0 + log_k 4.366 + delta_h -0.7531 kJ + -gamma 0 0 # Id: 3309931 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -2H+ + Tartarate-2 = H2(Tartarate) - log_k 7.402 - delta_h -3.6819 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +2 H+ + Tartarate-2 = H2(Tartarate) + log_k 7.402 + delta_h -3.6819 kJ + -gamma 0 0 # Id: 3309932 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Sn(OH)2 + 2H+ + Tartarate-2 = Sn(Tartarate) + 2H2O - log_k 13.1518 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Sn(OH)2 + 2 H+ + Tartarate-2 = Sn(Tartarate) + 2 H2O + log_k 13.1518 + delta_h 0 kJ + -gamma 0 0 # Id: 7909931 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 20.0 Pb+2 + Tartarate-2 = Pb(Tartarate) - log_k 3.98 - delta_h 0 kJ - -gamma 0 0 + log_k 3.98 + delta_h 0 kJ + -gamma 0 0 # Id: 6009931 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Al+3 + 2Tartarate-2 = Al(Tartarate)2- - log_k 9.37 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Al+3 + 2 Tartarate-2 = Al(Tartarate)2- + log_k 9.37 + delta_h 0 kJ + -gamma 0 0 # Id: 309931 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Tl+ + Tartarate-2 = Tl(Tartarate)- - log_k 1.4 - delta_h 0 kJ - -gamma 0 0 + log_k 1.4 + delta_h 0 kJ + -gamma 0 0 # Id: 8709931 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Tl+ + Tartarate-2 + H+ = TlH(Tartarate) - log_k 4.8 - delta_h 0 kJ - -gamma 0 0 + log_k 4.8 + delta_h 0 kJ + -gamma 0 0 # Id: 8709932 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Tartarate-2 = Zn(Tartarate) - log_k 3.43 - delta_h 0 kJ - -gamma 0 0 + log_k 3.43 + delta_h 0 kJ + -gamma 0 0 # Id: 9509931 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Zn+2 + 2Tartarate-2 = Zn(Tartarate)2-2 - log_k 5.5 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Zn+2 + 2 Tartarate-2 = Zn(Tartarate)2-2 + log_k 5.5 + delta_h 0 kJ + -gamma 0 0 # Id: 9509932 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Tartarate-2 + H+ = ZnH(Tartarate)+ - log_k 5.9 - delta_h 0 kJ - -gamma 0 0 + log_k 5.9 + delta_h 0 kJ + -gamma 0 0 # Id: 9509933 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cd+2 + Tartarate-2 = Cd(Tartarate) - log_k 2.7 - delta_h 0 kJ - -gamma 0 0 + log_k 2.7 + delta_h 0 kJ + -gamma 0 0 # Id: 1609931 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cd+2 + 2Tartarate-2 = Cd(Tartarate)2-2 - log_k 4.1 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cd+2 + 2 Tartarate-2 = Cd(Tartarate)2-2 + log_k 4.1 + delta_h 0 kJ + -gamma 0 0 # Id: 1609932 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Hg(OH)2 + Tartarate-2 + 2H+ = Hg(Tartarate) + 2H2O - log_k 14 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Hg(OH)2 + Tartarate-2 + 2 H+ = Hg(Tartarate) + 2 H2O + log_k 14 + delta_h 0 kJ + -gamma 0 0 # Id: 3619931 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Tartarate-2 = Cu(Tartarate) - log_k 3.97 - delta_h 0 kJ - -gamma 0 0 + log_k 3.97 + delta_h 0 kJ + -gamma 0 0 # Id: 2319931 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Tartarate-2 + H+ = CuH(Tartarate)+ - log_k 6.7 - delta_h 0 kJ - -gamma 0 0 + log_k 6.7 + delta_h 0 kJ + -gamma 0 0 # Id: 2319932 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Tartarate-2 = Ni(Tartarate) - log_k 3.46 - delta_h 0 kJ - -gamma 0 0 + log_k 3.46 + delta_h 0 kJ + -gamma 0 0 # Id: 5409931 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Tartarate-2 + H+ = NiH(Tartarate)+ - log_k 5.89 - delta_h 0 kJ - -gamma 0 0 + log_k 5.89 + delta_h 0 kJ + -gamma 0 0 # Id: 5409932 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Co+2 + Tartarate-2 = Co(Tartarate) - log_k 3.05 - delta_h 0 kJ - -gamma 0 0 + log_k 3.05 + delta_h 0 kJ + -gamma 0 0 # Id: 2009931 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.00 25.0 -Co+2 + 2Tartarate-2 = Co(Tartarate)2-2 - log_k 4 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 2 Tartarate-2 = Co(Tartarate)2-2 + log_k 4 + delta_h 0 kJ + -gamma 0 0 # Id: 2009932 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.00 25.0 Co+2 + H+ + Tartarate-2 = CoH(Tartarate)+ - log_k 5.754 - delta_h 0 kJ - -gamma 0 0 + log_k 5.754 + delta_h 0 kJ + -gamma 0 0 # Id: 2009933 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 1.00 20.0 Fe+2 + Tartarate-2 = Fe(Tartarate) - log_k 3.1 - delta_h 0 kJ - -gamma 0 0 + log_k 3.1 + delta_h 0 kJ + -gamma 0 0 # Id: 2809931 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Fe+3 + Tartarate-2 = Fe(Tartarate)+ - log_k 7.78 - delta_h 0 kJ - -gamma 0 0 + log_k 7.78 + delta_h 0 kJ + -gamma 0 0 # Id: 2819931 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Mn+2 + Tartarate-2 = Mn(Tartarate) - log_k 3.38 - delta_h 0 kJ - -gamma 0 0 + log_k 3.38 + delta_h 0 kJ + -gamma 0 0 # Id: 4709931 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Mn+2 + Tartarate-2 + H+ = MnH(Tartarate)+ - log_k 6 - delta_h 0 kJ - -gamma 0 0 + log_k 6 + delta_h 0 kJ + -gamma 0 0 # Id: 4709932 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Mg+2 + Tartarate-2 = Mg(Tartarate) - log_k 2.3 - delta_h 0 kJ - -gamma 0 0 + log_k 2.3 + delta_h 0 kJ + -gamma 0 0 # Id: 4609931 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Mg+2 + Tartarate-2 + H+ = MgH(Tartarate)+ - log_k 5.75 - delta_h 0 kJ - -gamma 0 0 + log_k 5.75 + delta_h 0 kJ + -gamma 0 0 # Id: 4609932 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Be+2 + Tartarate-2 = Be(Tartarate) - log_k 2.768 - delta_h 0 kJ - -gamma 0 0 + log_k 2.768 + delta_h 0 kJ + -gamma 0 0 # Id: 1109931 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.50 25.0 -Be+2 + 2Tartarate-2 = Be(Tartarate)2-2 - log_k 4.008 - delta_h 0 kJ - -gamma 0 0 +Be+2 + 2 Tartarate-2 = Be(Tartarate)2-2 + log_k 4.008 + delta_h 0 kJ + -gamma 0 0 # Id: 1109932 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.50 25.0 Ca+2 + Tartarate-2 = Ca(Tartarate) - log_k 2.8 - delta_h -8.368 kJ - -gamma 0 0 + log_k 2.8 + delta_h -8.368 kJ + -gamma 0 0 # Id: 1509931 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ca+2 + Tartarate-2 + H+ = CaH(Tartarate)+ - log_k 5.86 - delta_h -9.1211 kJ - -gamma 0 0 + log_k 5.86 + delta_h -9.1211 kJ + -gamma 0 0 # Id: 1509932 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Sr+2 + Tartarate-2 = Sr(Tartarate) - log_k 2.55 - delta_h 0 kJ - -gamma 0 0 + log_k 2.55 + delta_h 0 kJ + -gamma 0 0 # Id: 8009931 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.00 20.0 Sr+2 + H+ + Tartarate-2 = SrH(Tartarate)+ - log_k 5.8949 - delta_h 0 kJ - -gamma 0 0 + log_k 5.8949 + delta_h 0 kJ + -gamma 0 0 # Id: 8009932 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 Ba+2 + Tartarate-2 = Ba(Tartarate) - log_k 2.54 - delta_h 0 kJ - -gamma 0 0 + log_k 2.54 + delta_h 0 kJ + -gamma 0 0 # Id: 1009931 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ba+2 + Tartarate-2 + H+ = BaH(Tartarate)+ - log_k 5.77 - delta_h 0 kJ - -gamma 0 0 + log_k 5.77 + delta_h 0 kJ + -gamma 0 0 # Id: 1009932 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Na+ + Tartarate-2 = Na(Tartarate)- - log_k 0.9 - delta_h -0.8368 kJ - -gamma 0 0 + log_k 0.9 + delta_h -0.8368 kJ + -gamma 0 0 # Id: 5009931 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Na+ + Tartarate-2 + H+ = NaH(Tartarate) - log_k 4.58 - delta_h -2.8451 kJ - -gamma 0 0 + log_k 4.58 + delta_h -2.8451 kJ + -gamma 0 0 # Id: 5009932 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: K+ + Tartarate-2 = K(Tartarate)- - log_k 0.8 - delta_h 0 kJ - -gamma 0 0 + log_k 0.8 + delta_h 0 kJ + -gamma 0 0 # Id: 4109931 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: H+ + Glycine- = H(Glycine) - log_k 9.778 - delta_h -44.3504 kJ - -gamma 0 0 + log_k 9.778 + delta_h -44.3504 kJ + -gamma 0 0 # Id: 3309941 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -2H+ + Glycine- = H2(Glycine)+ - log_k 12.128 - delta_h -48.4507 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +2 H+ + Glycine- = H2(Glycine)+ + log_k 12.128 + delta_h -48.4507 kJ + -gamma 0 0 # Id: 3309942 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Pb+2 + Glycine- = Pb(Glycine)+ - log_k 5.47 - delta_h 0 kJ - -gamma 0 0 + log_k 5.47 + delta_h 0 kJ + -gamma 0 0 # Id: 6009941 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Pb+2 + 2Glycine- = Pb(Glycine)2 - log_k 8.86 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Pb+2 + 2 Glycine- = Pb(Glycine)2 + log_k 8.86 + delta_h 0 kJ + -gamma 0 0 # Id: 6009942 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Tl+ + Glycine- = Tl(Glycine) - log_k 1.72 - delta_h 0 kJ - -gamma 0 0 + log_k 1.72 + delta_h 0 kJ + -gamma 0 0 # Id: 8709941 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Glycine- = Zn(Glycine)+ - log_k 5.38 - delta_h -11.7152 kJ - -gamma 0 0 + log_k 5.38 + delta_h -11.7152 kJ + -gamma 0 0 # Id: 9509941 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Zn+2 + 2Glycine- = Zn(Glycine)2 - log_k 9.81 - delta_h -24.2672 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Zn+2 + 2 Glycine- = Zn(Glycine)2 + log_k 9.81 + delta_h -24.2672 kJ + -gamma 0 0 # Id: 9509942 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Zn+2 + 3Glycine- = Zn(Glycine)3- - log_k 12.3 - delta_h -39.748 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Zn+2 + 3 Glycine- = Zn(Glycine)3- + log_k 12.3 + delta_h -39.748 kJ + -gamma 0 0 # Id: 9509943 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cd+2 + Glycine- = Cd(Glycine)+ - log_k 4.69 - delta_h -8.7864 kJ - -gamma 0 0 + log_k 4.69 + delta_h -8.7864 kJ + -gamma 0 0 # Id: 1609941 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cd+2 + 2Glycine- = Cd(Glycine)2 - log_k 8.4 - delta_h -22.5936 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cd+2 + 2 Glycine- = Cd(Glycine)2 + log_k 8.4 + delta_h -22.5936 kJ + -gamma 0 0 # Id: 1609942 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cd+2 + 3Glycine- = Cd(Glycine)3- - log_k 10.7 - delta_h -35.9824 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cd+2 + 3 Glycine- = Cd(Glycine)3- + log_k 10.7 + delta_h -35.9824 kJ + -gamma 0 0 # Id: 1609943 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Hg(OH)2 + Glycine- + 2H+ = Hg(Glycine)+ + 2H2O - log_k 17 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Hg(OH)2 + Glycine- + 2 H+ = Hg(Glycine)+ + 2 H2O + log_k 17 + delta_h 0 kJ + -gamma 0 0 # Id: 3619941 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Hg(OH)2 + 2Glycine- + 2H+ = Hg(Glycine)2 + 2H2O - log_k 25.8 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Hg(OH)2 + 2 Glycine- + 2 H+ = Hg(Glycine)2 + 2 H2O + log_k 25.8 + delta_h 0 kJ + -gamma 0 0 # Id: 3619942 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cu+ + 2Glycine- = Cu(Glycine)2- - log_k 10.3 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cu+ + 2 Glycine- = Cu(Glycine)2- + log_k 10.3 + delta_h 0 kJ + -gamma 0 0 # Id: 2309941 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Glycine- = Cu(Glycine)+ - log_k 8.57 - delta_h -25.104 kJ - -gamma 0 0 + log_k 8.57 + delta_h -25.104 kJ + -gamma 0 0 # Id: 2319941 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + 2Glycine- = Cu(Glycine)2 - log_k 15.7 - delta_h -54.8104 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + 2 Glycine- = Cu(Glycine)2 + log_k 15.7 + delta_h -54.8104 kJ + -gamma 0 0 # Id: 2319942 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ag+ + Glycine- = Ag(Glycine) - log_k 3.51 - delta_h -19.2464 kJ - -gamma 0 0 + log_k 3.51 + delta_h -19.2464 kJ + -gamma 0 0 # Id: 209941 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ag+ + 2Glycine- = Ag(Glycine)2- - log_k 6.89 - delta_h -48.116 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ag+ + 2 Glycine- = Ag(Glycine)2- + log_k 6.89 + delta_h -48.116 kJ + -gamma 0 0 # Id: 209942 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Glycine- = Ni(Glycine)+ - log_k 6.15 - delta_h -18.828 kJ - -gamma 0 0 + log_k 6.15 + delta_h -18.828 kJ + -gamma 0 0 # Id: 5409941 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ni+2 + 2Glycine- = Ni(Glycine)2 - log_k 11.12 - delta_h -38.0744 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ni+2 + 2 Glycine- = Ni(Glycine)2 + log_k 11.12 + delta_h -38.0744 kJ + -gamma 0 0 # Id: 5409942 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ni+2 + 3Glycine- = Ni(Glycine)3- - log_k 14.63 - delta_h -62.3416 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ni+2 + 3 Glycine- = Ni(Glycine)3- + log_k 14.63 + delta_h -62.3416 kJ + -gamma 0 0 # Id: 5409943 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Co+2 + Glycine- = Co(Glycine)+ - log_k 5.07 - delta_h -12 kJ - -gamma 0 0 + log_k 5.07 + delta_h -12 kJ + -gamma 0 0 # Id: 2009941 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Co+2 + 2Glycine- = Co(Glycine)2 - log_k 9.07 - delta_h -26 kJ - -gamma 0 0 +Co+2 + 2 Glycine- = Co(Glycine)2 + log_k 9.07 + delta_h -26 kJ + -gamma 0 0 # Id: 2009942 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Co+2 + 3Glycine- = Co(Glycine)3- - log_k 11.6 - delta_h -41 kJ - -gamma 0 0 +Co+2 + 3 Glycine- = Co(Glycine)3- + log_k 11.6 + delta_h -41 kJ + -gamma 0 0 # Id: 2009943 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Co+2 + Glycine- + H2O = CoOH(Glycine) + H+ - log_k -5.02 - delta_h 0 kJ - -gamma 0 0 + log_k -5.02 + delta_h 0 kJ + -gamma 0 0 # Id: 2009944 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 Fe+2 + Glycine- = Fe(Glycine)+ - log_k 4.31 - delta_h -15.0624 kJ - -gamma 0 0 + log_k 4.31 + delta_h -15.0624 kJ + -gamma 0 0 # Id: 2809941 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Fe+2 + 2Glycine- = Fe(Glycine)2 - log_k 8.29 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Fe+2 + 2 Glycine- = Fe(Glycine)2 + log_k 8.29 + delta_h 0 kJ + -gamma 0 0 # Id: 2809942 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Fe+3 + Glycine- = Fe(Glycine)+2 - log_k 9.38 - delta_h 0 kJ - -gamma 0 0 + log_k 9.38 + delta_h 0 kJ + -gamma 0 0 # Id: 2819941 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Fe+3 + Glycine- + H+ = FeH(Glycine)+3 - log_k 11.55 - delta_h 0 kJ - -gamma 0 0 + log_k 11.55 + delta_h 0 kJ + -gamma 0 0 # Id: 2819942 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Mn+2 + Glycine- = Mn(Glycine)+ - log_k 3.19 - delta_h -1.2552 kJ - -gamma 0 0 + log_k 3.19 + delta_h -1.2552 kJ + -gamma 0 0 # Id: 4709941 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Mn+2 + 2Glycine- = Mn(Glycine)2 - log_k 5.4 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Mn+2 + 2 Glycine- = Mn(Glycine)2 + log_k 5.4 + delta_h 0 kJ + -gamma 0 0 # Id: 4709942 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cr(OH)2+ + Glycine- + 2H+ = Cr(Glycine)+2 + 2H2O - log_k 18.7 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cr(OH)2+ + Glycine- + 2 H+ = Cr(Glycine)+2 + 2 H2O + log_k 18.7 + delta_h 0 kJ + -gamma 0 0 # Id: 2119941 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cr(OH)2+ + 2Glycine- + 2H+ = Cr(Glycine)2+ + 2H2O - log_k 25.6 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cr(OH)2+ + 2 Glycine- + 2 H+ = Cr(Glycine)2+ + 2 H2O + log_k 25.6 + delta_h 0 kJ + -gamma 0 0 # Id: 2119942 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cr(OH)2+ + 3Glycine- + 2H+ = Cr(Glycine)3 + 2H2O - log_k 31.6 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cr(OH)2+ + 3 Glycine- + 2 H+ = Cr(Glycine)3 + 2 H2O + log_k 31.6 + delta_h 0 kJ + -gamma 0 0 # Id: 2119943 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Mg+2 + Glycine- = Mg(Glycine)+ - log_k 2.08 - delta_h 4.184 kJ - -gamma 0 0 + log_k 2.08 + delta_h 4.184 kJ + -gamma 0 0 # Id: 4609941 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ca+2 + Glycine- = Ca(Glycine)+ - log_k 1.39 - delta_h -4.184 kJ - -gamma 0 0 + log_k 1.39 + delta_h -4.184 kJ + -gamma 0 0 # Id: 1509941 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ca+2 + Glycine- + H+ = CaH(Glycine)+2 - log_k 10.1 - delta_h -35.9824 kJ - -gamma 0 0 + log_k 10.1 + delta_h -35.9824 kJ + -gamma 0 0 # Id: 1509942 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Sr+2 + Glycine- = Sr(Glycine)+ - log_k 0.91 - delta_h 0 kJ - -gamma 0 0 + log_k 0.91 + delta_h 0 kJ + -gamma 0 0 # Id: 8009941 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.00 25.0 Ba+2 + Glycine- = Ba(Glycine)+ - log_k 0.77 - delta_h 0 kJ - -gamma 0 0 + log_k 0.77 + delta_h 0 kJ + -gamma 0 0 # Id: 1009941 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: H+ + Salicylate-2 = H(Salicylate)- - log_k 13.7 - delta_h -35.7732 kJ - -gamma 0 0 + log_k 13.7 + delta_h -35.7732 kJ + -gamma 0 0 # Id: 3309951 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -2H+ + Salicylate-2 = H2(Salicylate) - log_k 16.8 - delta_h -38.7857 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +2 H+ + Salicylate-2 = H2(Salicylate) + log_k 16.8 + delta_h -38.7857 kJ + -gamma 0 0 # Id: 3309952 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Salicylate-2 = Zn(Salicylate) - log_k 7.71 - delta_h 0 kJ - -gamma 0 0 + log_k 7.71 + delta_h 0 kJ + -gamma 0 0 # Id: 9509951 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Zn+2 + Salicylate-2 + H+ = ZnH(Salicylate)+ - log_k 15.5 - delta_h 0 kJ - -gamma 0 0 + log_k 15.5 + delta_h 0 kJ + -gamma 0 0 # Id: 9509952 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cd+2 + Salicylate-2 = Cd(Salicylate) - log_k 6.2 - delta_h 0 kJ - -gamma 0 0 + log_k 6.2 + delta_h 0 kJ + -gamma 0 0 # Id: 1609951 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cd+2 + Salicylate-2 + H+ = CdH(Salicylate)+ - log_k 16 - delta_h 0 kJ - -gamma 0 0 + log_k 16 + delta_h 0 kJ + -gamma 0 0 # Id: 1609952 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Salicylate-2 = Cu(Salicylate) - log_k 11.3 - delta_h -17.9912 kJ - -gamma 0 0 + log_k 11.3 + delta_h -17.9912 kJ + -gamma 0 0 # Id: 2319951 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + 2Salicylate-2 = Cu(Salicylate)2-2 - log_k 19.3 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + 2 Salicylate-2 = Cu(Salicylate)2-2 + log_k 19.3 + delta_h 0 kJ + -gamma 0 0 # Id: 2319952 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Salicylate-2 + H+ = CuH(Salicylate)+ - log_k 14.8 - delta_h 0 kJ - -gamma 0 0 + log_k 14.8 + delta_h 0 kJ + -gamma 0 0 # Id: 2319953 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Salicylate-2 = Ni(Salicylate) - log_k 8.2 - delta_h 0 kJ - -gamma 0 0 + log_k 8.2 + delta_h 0 kJ + -gamma 0 0 # Id: 5409951 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ni+2 + 2Salicylate-2 = Ni(Salicylate)2-2 - log_k 12.64 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ni+2 + 2 Salicylate-2 = Ni(Salicylate)2-2 + log_k 12.64 + delta_h 0 kJ + -gamma 0 0 # Id: 5409952 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Co+2 + Salicylate-2 = Co(Salicylate) - log_k 7.4289 - delta_h 0 kJ - -gamma 0 0 + log_k 7.4289 + delta_h 0 kJ + -gamma 0 0 # Id: 2009951 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 20.0 -Co+2 + 2Salicylate-2 = Co(Salicylate)2-2 - log_k 11.8 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 2 Salicylate-2 = Co(Salicylate)2-2 + log_k 11.8 + delta_h 0 kJ + -gamma 0 0 # Id: 2009952 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 20.0 Fe+2 + Salicylate-2 = Fe(Salicylate) - log_k 7.2 - delta_h 0 kJ - -gamma 0 0 + log_k 7.2 + delta_h 0 kJ + -gamma 0 0 # Id: 2809951 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Fe+2 + 2Salicylate-2 = Fe(Salicylate)2-2 - log_k 11.6 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Fe+2 + 2 Salicylate-2 = Fe(Salicylate)2-2 + log_k 11.6 + delta_h 0 kJ + -gamma 0 0 # Id: 2809952 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Fe+3 + Salicylate-2 = Fe(Salicylate)+ - log_k 17.6 - delta_h 0 kJ - -gamma 0 0 + log_k 17.6 + delta_h 0 kJ + -gamma 0 0 # Id: 2819951 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Fe+3 + 2Salicylate-2 = Fe(Salicylate)2- - log_k 29.3 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Fe+3 + 2 Salicylate-2 = Fe(Salicylate)2- + log_k 29.3 + delta_h 0 kJ + -gamma 0 0 # Id: 2819952 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Mn+2 + Salicylate-2 = Mn(Salicylate) - log_k 6.5 - delta_h 0 kJ - -gamma 0 0 + log_k 6.5 + delta_h 0 kJ + -gamma 0 0 # Id: 4709951 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Mn+2 + 2Salicylate-2 = Mn(Salicylate)2-2 - log_k 10.1 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Mn+2 + 2 Salicylate-2 = Mn(Salicylate)2-2 + log_k 10.1 + delta_h 0 kJ + -gamma 0 0 # Id: 4709952 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Be+2 + Salicylate-2 = Be(Salicylate) - log_k 13.3889 - delta_h -31.7732 kJ - -gamma 0 0 + log_k 13.3889 + delta_h -31.7732 kJ + -gamma 0 0 # Id: 1109951 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 -Be+2 + 2Salicylate-2 = Be(Salicylate)2-2 - log_k 23.25 - delta_h 0 kJ - -gamma 0 0 +Be+2 + 2 Salicylate-2 = Be(Salicylate)2-2 + log_k 23.25 + delta_h 0 kJ + -gamma 0 0 # Id: 1109952 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 Mg+2 + Salicylate-2 = Mg(Salicylate) - log_k 5.76 - delta_h 0 kJ - -gamma 0 0 + log_k 5.76 + delta_h 0 kJ + -gamma 0 0 # Id: 4609951 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Mg+2 + Salicylate-2 + H+ = MgH(Salicylate)+ - log_k 15.3 - delta_h 0 kJ - -gamma 0 0 + log_k 15.3 + delta_h 0 kJ + -gamma 0 0 # Id: 4609952 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Ca+2 + Salicylate-2 = Ca(Salicylate) - log_k 4.05 - delta_h 0 kJ - -gamma 0 0 + log_k 4.05 + delta_h 0 kJ + -gamma 0 0 # Id: 1509951 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ca+2 + Salicylate-2 + H+ = CaH(Salicylate)+ - log_k 14.3 - delta_h 0 kJ - -gamma 0 0 + log_k 14.3 + delta_h 0 kJ + -gamma 0 0 # Id: 1509952 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ba+2 + Salicylate-2 + H+ = BaH(Salicylate)+ - log_k 13.9 - delta_h 0 kJ - -gamma 0 0 + log_k 13.9 + delta_h 0 kJ + -gamma 0 0 # Id: 1009951 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: H+ + Glutamate-2 = H(Glutamate)- - log_k 9.96 - delta_h -41.0032 kJ - -gamma 0 0 + log_k 9.96 + delta_h -41.0032 kJ + -gamma 0 0 # Id: 3309961 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -2H+ + Glutamate-2 = H2(Glutamate) - log_k 14.26 - delta_h -43.5136 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +2 H+ + Glutamate-2 = H2(Glutamate) + log_k 14.26 + delta_h -43.5136 kJ + -gamma 0 0 # Id: 3309962 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -3H+ + Glutamate-2 = H3(Glutamate)+ - log_k 16.42 - delta_h -46.8608 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +3 H+ + Glutamate-2 = H3(Glutamate)+ + log_k 16.42 + delta_h -46.8608 kJ + -gamma 0 0 # Id: 3309963 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Pb+2 + Glutamate-2 = Pb(Glutamate) - log_k 6.43 - delta_h 0 kJ - -gamma 0 0 + log_k 6.43 + delta_h 0 kJ + -gamma 0 0 # Id: 6009961 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Pb+2 + 2Glutamate-2 = Pb(Glutamate)2-2 - log_k 8.61 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Pb+2 + 2 Glutamate-2 = Pb(Glutamate)2-2 + log_k 8.61 + delta_h 0 kJ + -gamma 0 0 # Id: 6009962 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Pb+2 + Glutamate-2 + H+ = PbH(Glutamate)+ - log_k 14.08 - delta_h 0 kJ - -gamma 0 0 + log_k 14.08 + delta_h 0 kJ + -gamma 0 0 # Id: 6009963 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Al+3 + Glutamate-2 + H+ = AlH(Glutamate)+2 - log_k 13.07 - delta_h 0 kJ - -gamma 0 0 + log_k 13.07 + delta_h 0 kJ + -gamma 0 0 # Id: 309961 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Glutamate-2 = Zn(Glutamate) - log_k 6.2 - delta_h 0 kJ - -gamma 0 0 + log_k 6.2 + delta_h 0 kJ + -gamma 0 0 # Id: 9509961 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Zn+2 + 2Glutamate-2 = Zn(Glutamate)2-2 - log_k 9.13 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Zn+2 + 2 Glutamate-2 = Zn(Glutamate)2-2 + log_k 9.13 + delta_h 0 kJ + -gamma 0 0 # Id: 9509962 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Zn+2 + 3Glutamate-2 = Zn(Glutamate)3-4 - log_k 9.8 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Zn+2 + 3 Glutamate-2 = Zn(Glutamate)3-4 + log_k 9.8 + delta_h 0 kJ + -gamma 0 0 # Id: 9509963 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Cd+2 + Glutamate-2 = Cd(Glutamate) - log_k 4.7 - delta_h 0 kJ - -gamma 0 0 + log_k 4.7 + delta_h 0 kJ + -gamma 0 0 # Id: 1609961 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cd+2 + 2Glutamate-2 = Cd(Glutamate)2-2 - log_k 7.59 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cd+2 + 2 Glutamate-2 = Cd(Glutamate)2-2 + log_k 7.59 + delta_h 0 kJ + -gamma 0 0 # Id: 1609962 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Hg(OH)2 + Glutamate-2 + 2H+ = Hg(Glutamate) + 2H2O - log_k 19.8 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Hg(OH)2 + Glutamate-2 + 2 H+ = Hg(Glutamate) + 2 H2O + log_k 19.8 + delta_h 0 kJ + -gamma 0 0 # Id: 3619961 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Hg(OH)2 + 2Glutamate-2 + 2H+ = Hg(Glutamate)2-2 + 2H2O - log_k 26.2 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Hg(OH)2 + 2 Glutamate-2 + 2 H+ = Hg(Glutamate)2-2 + 2 H2O + log_k 26.2 + delta_h 0 kJ + -gamma 0 0 # Id: 3619962 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Cu+2 + Glutamate-2 = Cu(Glutamate) - log_k 9.17 - delta_h -20.92 kJ - -gamma 0 0 + log_k 9.17 + delta_h -20.92 kJ + -gamma 0 0 # Id: 2319961 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + 2Glutamate-2 = Cu(Glutamate)2-2 - log_k 15.78 - delta_h -48.116 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + 2 Glutamate-2 = Cu(Glutamate)2-2 + log_k 15.78 + delta_h -48.116 kJ + -gamma 0 0 # Id: 2319962 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Glutamate-2 + H+ = CuH(Glutamate)+ - log_k 13.3 - delta_h -28.0328 kJ - -gamma 0 0 + log_k 13.3 + delta_h -28.0328 kJ + -gamma 0 0 # Id: 2319963 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ag+ + Glutamate-2 = Ag(Glutamate)- - log_k 4.22 - delta_h 0 kJ - -gamma 0 0 + log_k 4.22 + delta_h 0 kJ + -gamma 0 0 # Id: 209961 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ag+ + 2Glutamate-2 = Ag(Glutamate)2-3 - log_k 7.36 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ag+ + 2 Glutamate-2 = Ag(Glutamate)2-3 + log_k 7.36 + delta_h 0 kJ + -gamma 0 0 # Id: 209962 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -2Ag+ + Glutamate-2 = Ag2(Glutamate) - log_k 3.4 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +2 Ag+ + Glutamate-2 = Ag2(Glutamate) + log_k 3.4 + delta_h 0 kJ + -gamma 0 0 # Id: 209963 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Glutamate-2 = Ni(Glutamate) - log_k 6.47 - delta_h 0 kJ - -gamma 0 0 + log_k 6.47 + delta_h 0 kJ + -gamma 0 0 # Id: 5409961 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ni+2 + 2Glutamate-2 = Ni(Glutamate)2-2 - log_k 10.7 - delta_h -30.9616 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ni+2 + 2 Glutamate-2 = Ni(Glutamate)2-2 + log_k 10.7 + delta_h -30.9616 kJ + -gamma 0 0 # Id: 5409962 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Co+2 + Glutamate-2 = Co(Glutamate) - log_k 5.4178 - delta_h 0 kJ - -gamma 0 0 + log_k 5.4178 + delta_h 0 kJ + -gamma 0 0 # Id: 2009961 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 -Co+2 + 2Glutamate-2 = Co(Glutamate)2-2 - log_k 8.7178 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 2 Glutamate-2 = Co(Glutamate)2-2 + log_k 8.7178 + delta_h 0 kJ + -gamma 0 0 # Id: 2009962 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 Mn+2 + Glutamate-2 = Mn(Glutamate) - log_k 4.95 - delta_h 0 kJ - -gamma 0 0 + log_k 4.95 + delta_h 0 kJ + -gamma 0 0 # Id: 4709961 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Mn+2 + 2Glutamate-2 = Mn(Glutamate)2-2 - log_k 8.48 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Mn+2 + 2 Glutamate-2 = Mn(Glutamate)2-2 + log_k 8.48 + delta_h 0 kJ + -gamma 0 0 # Id: 4709962 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cr(OH)2+ + Glutamate-2 + 2H+ = Cr(Glutamate)+ + 2H2O - log_k 22.6 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cr(OH)2+ + Glutamate-2 + 2 H+ = Cr(Glutamate)+ + 2 H2O + log_k 22.6 + delta_h 0 kJ + -gamma 0 0 # Id: 2119961 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cr(OH)2+ + 2Glutamate-2 + 2H+ = Cr(Glutamate)2- + 2H2O - log_k 30.7 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cr(OH)2+ + 2 Glutamate-2 + 2 H+ = Cr(Glutamate)2- + 2 H2O + log_k 30.7 + delta_h 0 kJ + -gamma 0 0 # Id: 2119962 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cr(OH)2+ + Glutamate-2 + 3H+ = CrH(Glutamate)+2 + 2H2O - log_k 25.2 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cr(OH)2+ + Glutamate-2 + 3 H+ = CrH(Glutamate)+2 + 2 H2O + log_k 25.2 + delta_h 0 kJ + -gamma 0 0 # Id: 2119963 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Mg+2 + Glutamate-2 = Mg(Glutamate) - log_k 2.8 - delta_h 0 kJ - -gamma 0 0 + log_k 2.8 + delta_h 0 kJ + -gamma 0 0 # Id: 4609961 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ca+2 + Glutamate-2 = Ca(Glutamate) - log_k 2.06 - delta_h 0 kJ - -gamma 0 0 + log_k 2.06 + delta_h 0 kJ + -gamma 0 0 # Id: 1509961 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ca+2 + Glutamate-2 + H+ = CaH(Glutamate)+ - log_k 11.13 - delta_h 0 kJ - -gamma 0 0 + log_k 11.13 + delta_h 0 kJ + -gamma 0 0 # Id: 1509962 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Sr+2 + Glutamate-2 = Sr(Glutamate) - log_k 2.2278 - delta_h 0 kJ - -gamma 0 0 + log_k 2.2278 + delta_h 0 kJ + -gamma 0 0 # Id: 8009961 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 Ba+2 + Glutamate-2 = Ba(Glutamate) - log_k 2.14 - delta_h 0 kJ - -gamma 0 0 + log_k 2.14 + delta_h 0 kJ + -gamma 0 0 # Id: 1009961 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: H+ + Phthalate-2 = H(Phthalate)- - log_k 5.408 - delta_h 2.1757 kJ - -gamma 0 0 + log_k 5.408 + delta_h 2.1757 kJ + -gamma 0 0 # Id: 3309971 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -2H+ + Phthalate-2 = H2(Phthalate) - log_k 8.358 - delta_h 4.8534 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +2 H+ + Phthalate-2 = H2(Phthalate) + log_k 8.358 + delta_h 4.8534 kJ + -gamma 0 0 # Id: 3309972 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Pb+2 + Phthalate-2 = Pb(Phthalate) - log_k 4.26 - delta_h 0 kJ - -gamma 0 0 + log_k 4.26 + delta_h 0 kJ + -gamma 0 0 # Id: 6009971 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Pb+2 + 2Phthalate-2 = Pb(Phthalate)2-2 - log_k 4.83 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Pb+2 + 2 Phthalate-2 = Pb(Phthalate)2-2 + log_k 4.83 + delta_h 0 kJ + -gamma 0 0 # Id: 6009972 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Pb+2 + Phthalate-2 + H+ = PbH(Phthalate)+ - log_k 6.98 - delta_h 0 kJ - -gamma 0 0 + log_k 6.98 + delta_h 0 kJ + -gamma 0 0 # Id: 6009973 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Al+3 + Phthalate-2 = Al(Phthalate)+ - log_k 4.56 - delta_h 0 kJ - -gamma 0 0 + log_k 4.56 + delta_h 0 kJ + -gamma 0 0 # Id: 309971 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Al+3 + 2Phthalate-2 = Al(Phthalate)2- - log_k 7.2 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Al+3 + 2 Phthalate-2 = Al(Phthalate)2- + log_k 7.2 + delta_h 0 kJ + -gamma 0 0 # Id: 309972 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Phthalate-2 = Zn(Phthalate) - log_k 2.91 - delta_h 13.3888 kJ - -gamma 0 0 + log_k 2.91 + delta_h 13.3888 kJ + -gamma 0 0 # Id: 9509971 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Zn+2 + 2Phthalate-2 = Zn(Phthalate)2-2 - log_k 4.2 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Zn+2 + 2 Phthalate-2 = Zn(Phthalate)2-2 + log_k 4.2 + delta_h 0 kJ + -gamma 0 0 # Id: 9509972 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cd+2 + Phthalate-2 = Cd(Phthalate) - log_k 3.43 - delta_h 0 kJ - -gamma 0 0 + log_k 3.43 + delta_h 0 kJ + -gamma 0 0 # Id: 1609971 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cd+2 + Phthalate-2 + H+ = CdH(Phthalate)+ - log_k 6.3 - delta_h 0 kJ - -gamma 0 0 + log_k 6.3 + delta_h 0 kJ + -gamma 0 0 # Id: 1609973 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cd+2 + 2Phthalate-2 = Cd(Phthalate)2-2 - log_k 3.7 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cd+2 + 2 Phthalate-2 = Cd(Phthalate)2-2 + log_k 3.7 + delta_h 0 kJ + -gamma 0 0 # Id: 1609972 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Phthalate-2 = Cu(Phthalate) - log_k 4.02 - delta_h 8.368 kJ - -gamma 0 0 + log_k 4.02 + delta_h 8.368 kJ + -gamma 0 0 # Id: 2319971 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Phthalate-2 + H+ = CuH(Phthalate)+ - log_k 7.1 - delta_h 3.8493 kJ - -gamma 0 0 + log_k 7.1 + delta_h 3.8493 kJ + -gamma 0 0 # Id: 2319970 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + 2Phthalate-2 = Cu(Phthalate)2-2 - log_k 5.3 - delta_h 15.8992 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + 2 Phthalate-2 = Cu(Phthalate)2-2 + log_k 5.3 + delta_h 15.8992 kJ + -gamma 0 0 # Id: 2319972 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Phthalate-2 = Ni(Phthalate) - log_k 2.95 - delta_h 7.5312 kJ - -gamma 0 0 + log_k 2.95 + delta_h 7.5312 kJ + -gamma 0 0 # Id: 5409971 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Phthalate-2 + H+ = NiH(Phthalate)+ - log_k 6.6 - delta_h 0 kJ - -gamma 0 0 + log_k 6.6 + delta_h 0 kJ + -gamma 0 0 # Id: 5409972 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Co+2 + Phthalate-2 = Co(Phthalate) - log_k 2.83 - delta_h 7.9 kJ - -gamma 0 0 + log_k 2.83 + delta_h 7.9 kJ + -gamma 0 0 # Id: 2009971 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Co+2 + H+ + Phthalate-2 = CoH(Phthalate)+ - log_k 7.227 - delta_h 0 kJ - -gamma 0 0 + log_k 7.227 + delta_h 0 kJ + -gamma 0 0 # Id: 2009972 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.50 25.0 Mn+2 + Phthalate-2 = Mn(Phthalate) - log_k 2.74 - delta_h 10.0416 kJ - -gamma 0 0 + log_k 2.74 + delta_h 10.0416 kJ + -gamma 0 0 # Id: 4709971 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cr(OH)2+ + Phthalate-2 + 2H+ = Cr(Phthalate)+ + 2H2O - log_k 16.3 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cr(OH)2+ + Phthalate-2 + 2 H+ = Cr(Phthalate)+ + 2 H2O + log_k 16.3 + delta_h 0 kJ + -gamma 0 0 # Id: 2119971 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cr(OH)2+ + 2Phthalate-2 + 2H+ = Cr(Phthalate)2- + 2H2O - log_k 21.2 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cr(OH)2+ + 2 Phthalate-2 + 2 H+ = Cr(Phthalate)2- + 2 H2O + log_k 21.2 + delta_h 0 kJ + -gamma 0 0 # Id: 2119972 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cr(OH)2+ + 3Phthalate-2 + 2H+ = Cr(Phthalate)3-3 + 2H2O - log_k 23.3 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cr(OH)2+ + 3 Phthalate-2 + 2 H+ = Cr(Phthalate)3-3 + 2 H2O + log_k 23.3 + delta_h 0 kJ + -gamma 0 0 # Id: 2119973 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Be+2 + Phthalate-2 = Be(Phthalate) - log_k 4.8278 - delta_h 0 kJ - -gamma 0 0 + log_k 4.8278 + delta_h 0 kJ + -gamma 0 0 # Id: 1109971 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 -Be+2 + 2Phthalate-2 = Be(Phthalate)2-2 - log_k 6.5478 - delta_h 0 kJ - -gamma 0 0 +Be+2 + 2 Phthalate-2 = Be(Phthalate)2-2 + log_k 6.5478 + delta_h 0 kJ + -gamma 0 0 # Id: 1109972 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 Mg+2 + Phthalate-2 = Mg(Phthalate) - log_k 2.49 - delta_h 0 kJ - -gamma 0 0 + log_k 2.49 + delta_h 0 kJ + -gamma 0 0 # Id: 4609971 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Ca+2 + Phthalate-2 = Ca(Phthalate) - log_k 2.45 - delta_h 0 kJ - -gamma 0 0 + log_k 2.45 + delta_h 0 kJ + -gamma 0 0 # Id: 1509970 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ca+2 + Phthalate-2 + H+ = CaH(Phthalate)+ - log_k 6.43 - delta_h 0 kJ - -gamma 0 0 + log_k 6.43 + delta_h 0 kJ + -gamma 0 0 # Id: 1509971 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ba+2 + Phthalate-2 = Ba(Phthalate) - log_k 2.33 - delta_h 0 kJ - -gamma 0 0 + log_k 2.33 + delta_h 0 kJ + -gamma 0 0 # Id: 1009971 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Na+ + Phthalate-2 = Na(Phthalate)- - log_k 0.8 - delta_h 4.184 kJ - -gamma 0 0 + log_k 0.8 + delta_h 4.184 kJ + -gamma 0 0 # Id: 5009970 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: K+ + Phthalate-2 = K(Phthalate)- - log_k 0.7 - delta_h 3.7656 kJ - -gamma 0 0 + log_k 0.7 + delta_h 3.7656 kJ + -gamma 0 0 # Id: 4109971 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: PHASES Sulfur - S + H+ + 2e- = HS- - log_k -2.1449 - delta_h -16.3 kJ + S + H+ + 2 e- = HS- + log_k -2.1449 + delta_h -16.3 kJ Semetal(hex - Se + H+ + 2e- = HSe- - log_k -7.7084 - delta_h 15.9 kJ + Se + H+ + 2 e- = HSe- + log_k -7.7084 + delta_h 15.9 kJ Semetal(am) - Se + H+ + 2e- = HSe- - log_k -7.1099 - delta_h 10.8784 kJ + Se + H+ + 2 e- = HSe- + log_k -7.1099 + delta_h 10.8784 kJ Sbmetal - Sb + 3H2O = Sb(OH)3 + 3H+ + 3e- - log_k -11.6889 - delta_h 83.89 kJ + Sb + 3 H2O = Sb(OH)3 + 3 H+ + 3 e- + log_k -11.6889 + delta_h 83.89 kJ Snmetal(wht) - Sn + 2H2O = Sn(OH)2 + 2H+ + 2e- - log_k -2.3266 - delta_h -0 kJ + Sn + 2 H2O = Sn(OH)2 + 2 H+ + 2 e- + log_k -2.3266 + delta_h -0 kJ Pbmetal - Pb = Pb+2 + 2e- - log_k 4.2462 - delta_h 0.92 kJ + Pb = Pb+2 + 2 e- + log_k 4.2462 + delta_h 0.92 kJ Tlmetal Tl = Tl+ + e- - log_k 5.6762 - delta_h 5.36 kJ + log_k 5.6762 + delta_h 5.36 kJ Znmetal - Zn = Zn+2 + 2e- - log_k 25.7886 - delta_h -153.39 kJ + Zn = Zn+2 + 2 e- + log_k 25.7886 + delta_h -153.39 kJ Cdmetal(alpha) - Cd = Cd+2 + 2e- - log_k 13.5147 - delta_h -75.33 kJ + Cd = Cd+2 + 2 e- + log_k 13.5147 + delta_h -75.33 kJ Cdmetal(gamma) - Cd = Cd+2 + 2e- - log_k 13.618 - delta_h -75.92 kJ + Cd = Cd+2 + 2 e- + log_k 13.618 + delta_h -75.92 kJ Hgmetal(l) - Hg = 0.5Hg2+2 + e- - log_k -13.4517 - delta_h 83.435 kJ + Hg = 0.5 Hg2+2 + e- + log_k -13.4517 + delta_h 83.435 kJ Cumetal Cu = Cu+ + e- - log_k -8.756 - delta_h 71.67 kJ + log_k -8.756 + delta_h 71.67 kJ Agmetal Ag = Ag+ + e- - log_k -13.5065 - delta_h 105.79 kJ + log_k -13.5065 + delta_h 105.79 kJ Crmetal - Cr = Cr+2 + 2e- - log_k 30.4831 - delta_h -172 kJ + Cr = Cr+2 + 2 e- + log_k 30.4831 + delta_h -172 kJ Vmetal - V = V+3 + 3e- - log_k 44.0253 - delta_h -259 kJ + V = V+3 + 3 e- + log_k 44.0253 + delta_h -259 kJ Stibnite - Sb2S3 + 6H2O = 2Sb(OH)3 + 3H+ + 3HS- - log_k -50.46 - delta_h 293.78 kJ + Sb2S3 + 6 H2O = 2 Sb(OH)3 + 3 H+ + 3 HS- + log_k -50.46 + delta_h 293.78 kJ Orpiment - As2S3 + 6H2O = 2H3AsO3 + 3HS- + 3H+ - log_k -61.0663 - delta_h 350.68 kJ + As2S3 + 6 H2O = 2 H3AsO3 + 3 HS- + 3 H+ + log_k -61.0663 + delta_h 350.68 kJ Realgar - AsS + 3H2O = H3AsO3 + HS- + 2H+ + e- - log_k -19.747 - delta_h 127.8 kJ + AsS + 3 H2O = H3AsO3 + HS- + 2 H+ + e- + log_k -19.747 + delta_h 127.8 kJ SnS - SnS + 2H2O = Sn(OH)2 + H+ + HS- - log_k -19.114 - delta_h -0 kJ + SnS + 2 H2O = Sn(OH)2 + H+ + HS- + log_k -19.114 + delta_h -0 kJ SnS2 - SnS2 + 6H2O = Sn(OH)6-2 + 4H+ + 2HS- - log_k -57.4538 - delta_h -0 kJ + SnS2 + 6 H2O = Sn(OH)6-2 + 4 H+ + 2 HS- + log_k -57.4538 + delta_h -0 kJ Galena PbS + H+ = Pb+2 + HS- - log_k -13.97 - delta_h 80 kJ + log_k -13.97 + delta_h 80 kJ Tl2S - Tl2S + H+ = 2Tl+ + HS- - log_k -7.19 - delta_h 91.52 kJ + Tl2S + H+ = 2 Tl+ + HS- + log_k -7.19 + delta_h 91.52 kJ ZnS(am) ZnS + H+ = Zn+2 + HS- - log_k -9.052 - delta_h 15.3553 kJ + log_k -9.052 + delta_h 15.3553 kJ Sphalerite ZnS + H+ = Zn+2 + HS- - log_k -11.45 - delta_h 30 kJ + log_k -11.45 + delta_h 30 kJ Wurtzite ZnS + H+ = Zn+2 + HS- - log_k -8.95 - delta_h 21.171 kJ + log_k -8.95 + delta_h 21.171 kJ Greenockite CdS + H+ = Cd+2 + HS- - log_k -14.36 - delta_h 55 kJ + log_k -14.36 + delta_h 55 kJ Hg2S Hg2S + H+ = Hg2+2 + HS- - log_k -11.6765 - delta_h 69.7473 kJ + log_k -11.6765 + delta_h 69.7473 kJ Cinnabar - HgS + 2H2O = Hg(OH)2 + H+ + HS- - log_k -45.694 - delta_h 253.76 kJ + HgS + 2 H2O = Hg(OH)2 + H+ + HS- + log_k -45.694 + delta_h 253.76 kJ Metacinnabar - HgS + 2H2O = Hg(OH)2 + H+ + HS- - log_k -45.094 - delta_h 253.72 kJ + HgS + 2 H2O = Hg(OH)2 + H+ + HS- + log_k -45.094 + delta_h 253.72 kJ Chalcocite - Cu2S + H+ = 2Cu+ + HS- - log_k -34.92 - delta_h 168 kJ + Cu2S + H+ = 2 Cu+ + HS- + log_k -34.92 + delta_h 168 kJ Djurleite - Cu0.066Cu1.868S + H+ = 0.066Cu+2 + 1.868Cu+ + HS- - log_k -33.92 - delta_h 200.334 kJ + Cu0.066Cu1.868S + H+ = 0.066 Cu+2 + 1.868 Cu+ + HS- + log_k -33.92 + delta_h 200.334 kJ Anilite - Cu0.25Cu1.5S + H+ = 0.25Cu+2 + 1.5Cu+ + HS- - log_k -31.878 - delta_h 182.15 kJ + Cu0.25Cu1.5S + H+ = 0.25 Cu+2 + 1.5 Cu+ + HS- + log_k -31.878 + delta_h 182.15 kJ BlaubleiII - Cu0.6Cu0.8S + H+ = 0.6Cu+2 + 0.8Cu+ + HS- - log_k -27.279 - delta_h -0 kJ + Cu0.6Cu0.8S + H+ = 0.6 Cu+2 + 0.8 Cu+ + HS- + log_k -27.279 + delta_h -0 kJ BlaubleiI - Cu0.9Cu0.2S + H+ = 0.9Cu+2 + 0.2Cu+ + HS- - log_k -24.162 - delta_h -0 kJ + Cu0.9Cu0.2S + H+ = 0.9 Cu+2 + 0.2 Cu+ + HS- + log_k -24.162 + delta_h -0 kJ Covellite CuS + H+ = Cu+2 + HS- - log_k -22.3 - delta_h 97 kJ + log_k -22.3 + delta_h 97 kJ Chalcopyrite - CuFeS2 + 2H+ = Cu+2 + Fe+2 + 2HS- - log_k -35.27 - delta_h 148.448 kJ + CuFeS2 + 2 H+ = Cu+2 + Fe+2 + 2 HS- + log_k -35.27 + delta_h 148.448 kJ Acanthite - Ag2S + H+ = 2Ag+ + HS- - log_k -36.22 - delta_h 227 kJ + Ag2S + H+ = 2 Ag+ + HS- + log_k -36.22 + delta_h 227 kJ NiS(alpha) NiS + H+ = Ni+2 + HS- - log_k -5.6 - delta_h -0 kJ + log_k -5.6 + delta_h -0 kJ NiS(beta) NiS + H+ = Ni+2 + HS- - log_k -11.1 - delta_h -0 kJ + log_k -11.1 + delta_h -0 kJ NiS(gamma) NiS + H+ = Ni+2 + HS- - log_k -12.8 - delta_h -0 kJ + log_k -12.8 + delta_h -0 kJ CoS(alpha) CoS + H+ = Co+2 + HS- - log_k -7.44 - delta_h -0 kJ + log_k -7.44 + delta_h -0 kJ CoS(beta) CoS + H+ = Co+2 + HS- - log_k -11.07 - delta_h -0 kJ + log_k -11.07 + delta_h -0 kJ FeS(ppt) FeS + H+ = Fe+2 + HS- - log_k -2.95 - delta_h -11 kJ + log_k -2.95 + delta_h -11 kJ Greigite - Fe3S4 + 4H+ = 2Fe+3 + Fe+2 + 4HS- - log_k -45.035 - delta_h -0 kJ + Fe3S4 + 4 H+ = 2 Fe+3 + Fe+2 + 4 HS- + log_k -45.035 + delta_h -0 kJ Mackinawite FeS + H+ = Fe+2 + HS- - log_k -3.6 - delta_h -0 kJ + log_k -3.6 + delta_h -0 kJ Pyrite - FeS2 + 2H+ + 2e- = Fe+2 + 2HS- - log_k -18.5082 - delta_h 49.844 kJ + FeS2 + 2 H+ + 2 e- = Fe+2 + 2 HS- + log_k -18.5082 + delta_h 49.844 kJ MnS(grn) MnS + H+ = Mn+2 + HS- - log_k 0.17 - delta_h -32 kJ + log_k 0.17 + delta_h -32 kJ MnS(pnk) MnS + H+ = Mn+2 + HS- - log_k 3.34 - delta_h -0 kJ + log_k 3.34 + delta_h -0 kJ MoS2 - MoS2 + 4H2O = MoO4-2 + 6H+ + 2HS- + 2e- - log_k -70.2596 - delta_h 389.02 kJ + MoS2 + 4 H2O = MoO4-2 + 6 H+ + 2 HS- + 2 e- + log_k -70.2596 + delta_h 389.02 kJ BeS BeS + H+ = Be+2 + HS- - log_k 19.38 - delta_h -0 kJ + log_k 19.38 + delta_h -0 kJ BaS BaS + H+ = Ba+2 + HS- - log_k 16.18 - delta_h -0 kJ + log_k 16.18 + delta_h -0 kJ Hg2(Cyanide)2 - Hg2(Cyanide)2 = Hg2+2 + 2Cyanide- - log_k -39.3 - delta_h -0 kJ + Hg2(Cyanide)2 = Hg2+2 + 2 Cyanide- + log_k -39.3 + delta_h -0 kJ CuCyanide CuCyanide = Cu+ + Cyanide- - log_k -19.5 - delta_h -19 kJ + log_k -19.5 + delta_h -19 kJ AgCyanide AgCyanide = Ag+ + Cyanide- - log_k -15.74 - delta_h 110.395 kJ + log_k -15.74 + delta_h 110.395 kJ Ag2(Cyanide)2 - Ag2(Cyanide)2 = 2Ag+ + 2Cyanide- - log_k -11.3289 - delta_h -0 kJ + Ag2(Cyanide)2 = 2 Ag+ + 2 Cyanide- + log_k -11.3289 + delta_h -0 kJ NaCyanide(cubic) NaCyanide = Cyanide- + Na+ - log_k 1.6012 - delta_h 0.969 kJ + log_k 1.6012 + delta_h 0.969 kJ KCyanide(cubic) KCyanide = Cyanide- + K+ - log_k 1.4188 - delta_h 11.93 kJ + log_k 1.4188 + delta_h 11.93 kJ Pb2Fe(Cyanide)6 - Pb2Fe(Cyanide)6 = 2Pb+2 + Fe+2 + 6Cyanide- - log_k -53.42 - delta_h -0 kJ + Pb2Fe(Cyanide)6 = 2 Pb+2 + Fe+2 + 6 Cyanide- + log_k -53.42 + delta_h -0 kJ Zn2Fe(Cyanide)6 - Zn2Fe(Cyanide)6 = 2Zn+2 + Fe+2 + 6Cyanide- - log_k -51.08 - delta_h -0 kJ + Zn2Fe(Cyanide)6 = 2 Zn+2 + Fe+2 + 6 Cyanide- + log_k -51.08 + delta_h -0 kJ Cd2Fe(Cyanide)6 - Cd2Fe(Cyanide)6 = 2Cd+2 + Fe+2 + 6Cyanide- - log_k -52.78 - delta_h -0 kJ + Cd2Fe(Cyanide)6 = 2 Cd+2 + Fe+2 + 6 Cyanide- + log_k -52.78 + delta_h -0 kJ Ag4Fe(Cyanide)6 - Ag4Fe(Cyanide)6 = 4Ag+ + Fe+2 + 6Cyanide- - log_k -79.47 - delta_h -0 kJ + Ag4Fe(Cyanide)6 = 4 Ag+ + Fe+2 + 6 Cyanide- + log_k -79.47 + delta_h -0 kJ Ag3Fe(Cyanide)6 - Ag3Fe(Cyanide)6 = 3Ag+ + Fe+3 + 6Cyanide- - log_k -72.7867 - delta_h -0 kJ + Ag3Fe(Cyanide)6 = 3 Ag+ + Fe+3 + 6 Cyanide- + log_k -72.7867 + delta_h -0 kJ Mn3(Fe(Cyanide)6)2 - Mn3(Fe(Cyanide)6)2 = 3Mn+2 + 2Fe+3 + 12Cyanide- - log_k -105.4 - delta_h -0 kJ + Mn3(Fe(Cyanide)6)2 = 3 Mn+2 + 2 Fe+3 + 12 Cyanide- + log_k -105.4 + delta_h -0 kJ Sb2Se3 - Sb2Se3 + 6H2O = 2Sb(OH)3 + 3HSe- + 3H+ - log_k -67.7571 - delta_h 343.046 kJ + Sb2Se3 + 6 H2O = 2 Sb(OH)3 + 3 HSe- + 3 H+ + log_k -67.7571 + delta_h 343.046 kJ SnSe - SnSe + 2H2O = Sn(OH)2 + H+ + HSe- - log_k -30.494 - delta_h -0 kJ + SnSe + 2 H2O = Sn(OH)2 + H+ + HSe- + log_k -30.494 + delta_h -0 kJ SnSe2 - SnSe2 + 6H2O = Sn(OH)6-2 + 4H+ + 2HSe- - log_k -65.1189 - delta_h -0 kJ + SnSe2 + 6 H2O = Sn(OH)6-2 + 4 H+ + 2 HSe- + log_k -65.1189 + delta_h -0 kJ Clausthalite PbSe + H+ = Pb+2 + HSe- - log_k -27.1 - delta_h 119.72 kJ + log_k -27.1 + delta_h 119.72 kJ Tl2Se - Tl2Se + H+ = 2Tl+ + HSe- - log_k -18.1 - delta_h 85.62 kJ + Tl2Se + H+ = 2 Tl+ + HSe- + log_k -18.1 + delta_h 85.62 kJ ZnSe ZnSe + H+ = Zn+2 + HSe- - log_k -14.4 - delta_h 25.51 kJ + log_k -14.4 + delta_h 25.51 kJ CdSe CdSe + H+ = Cd+2 + HSe- - log_k -20.2 - delta_h 75.9814 kJ + log_k -20.2 + delta_h 75.9814 kJ HgSe - HgSe + 2H2O = Hg(OH)2 + H+ + HSe- - log_k -55.694 - delta_h -0 kJ + HgSe + 2 H2O = Hg(OH)2 + H+ + HSe- + log_k -55.694 + delta_h -0 kJ Cu2Se(alpha) - Cu2Se + H+ = 2Cu+ + HSe- - log_k -45.8 - delta_h 214.263 kJ + Cu2Se + H+ = 2 Cu+ + HSe- + log_k -45.8 + delta_h 214.263 kJ Cu3Se2 - Cu3Se2 + 2H+ = 2HSe- + 2Cu+ + Cu+2 - log_k -63.4911 - delta_h 340.327 kJ + Cu3Se2 + 2 H+ = 2 HSe- + 2 Cu+ + Cu+2 + log_k -63.4911 + delta_h 340.327 kJ CuSe CuSe + H+ = Cu+2 + HSe- - log_k -33.1 - delta_h 121.127 kJ + log_k -33.1 + delta_h 121.127 kJ CuSe2 - CuSe2 + 2H+ + 2e- = 2HSe- + Cu+2 - log_k -33.3655 - delta_h 140.582 kJ + CuSe2 + 2 H+ + 2 e- = 2 HSe- + Cu+2 + log_k -33.3655 + delta_h 140.582 kJ Ag2Se - Ag2Se + H+ = 2Ag+ + HSe- - log_k -48.7 - delta_h 265.48 kJ + Ag2Se + H+ = 2 Ag+ + HSe- + log_k -48.7 + delta_h 265.48 kJ NiSe NiSe + H+ = Ni+2 + HSe- - log_k -17.7 - delta_h -0 kJ + log_k -17.7 + delta_h -0 kJ CoSe CoSe + H+ = Co+2 + HSe- - log_k -16.2 - delta_h -0 kJ + log_k -16.2 + delta_h -0 kJ FeSe FeSe + H+ = Fe+2 + HSe- - log_k -11 - delta_h 2.092 kJ + log_k -11 + delta_h 2.092 kJ Ferroselite - FeSe2 + 2H+ + 2e- = 2HSe- + Fe+2 - log_k -18.5959 - delta_h 47.2792 kJ + FeSe2 + 2 H+ + 2 e- = 2 HSe- + Fe+2 + log_k -18.5959 + delta_h 47.2792 kJ MnSe MnSe + H+ = Mn+2 + HSe- - log_k 3.5 - delta_h -98.15 kJ + log_k 3.5 + delta_h -98.15 kJ AlSb - AlSb + 3H2O = Sb(OH)3 + 6e- + Al+3 + 3H+ - log_k 65.6241 - delta_h -0 kJ + AlSb + 3 H2O = Sb(OH)3 + 6 e- + Al+3 + 3 H+ + log_k 65.6241 + delta_h -0 kJ ZnSb - ZnSb + 3H2O = Sb(OH)3 + 5e- + Zn+2 + 3H+ - log_k 11.0138 - delta_h -54.8773 kJ + ZnSb + 3 H2O = Sb(OH)3 + 5 e- + Zn+2 + 3 H+ + log_k 11.0138 + delta_h -54.8773 kJ CdSb - CdSb + 3H2O = Sb(OH)3 + 5e- + 3H+ + Cd+2 - log_k -0.3501 - delta_h 22.36 kJ + CdSb + 3 H2O = Sb(OH)3 + 5 e- + 3 H+ + Cd+2 + log_k -0.3501 + delta_h 22.36 kJ Cu2Sb:3H2O - Cu2Sb:3H2O = Sb(OH)3 + 6e- + 3H+ + Cu+ + Cu+2 - log_k -34.8827 - delta_h 233.237 kJ + Cu2Sb:3H2O = Sb(OH)3 + 6 e- + 3 H+ + Cu+ + Cu+2 + log_k -34.8827 + delta_h 233.237 kJ Cu3Sb - Cu3Sb + 3H2O = Sb(OH)3 + 6e- + 3H+ + 3Cu+ - log_k -42.5937 - delta_h 308.131 kJ + Cu3Sb + 3 H2O = Sb(OH)3 + 6 e- + 3 H+ + 3 Cu+ + log_k -42.5937 + delta_h 308.131 kJ #Ag4Sb # Ag4Sb + 3H2O = Sb(OH)3 + 6e- + 3Ag+ + 3H+ # log_k -56.1818 # delta_h -0 kJ Breithauptite - NiSb + 3H2O = Sb(OH)3 + 5e- + 3H+ + Ni+2 - log_k -18.5225 - delta_h 96.0019 kJ + NiSb + 3 H2O = Sb(OH)3 + 5 e- + 3 H+ + Ni+2 + log_k -18.5225 + delta_h 96.0019 kJ MnSb - MnSb + 3H2O = Mn+3 + Sb(OH)3 + 6e- + 3H+ - log_k -2.9099 - delta_h 21.1083 kJ + MnSb + 3 H2O = Mn+3 + Sb(OH)3 + 6 e- + 3 H+ + log_k -2.9099 + delta_h 21.1083 kJ Mn2Sb - Mn2Sb + 3H2O = 2Mn+2 + Sb(OH)3 + 7e- + 3H+ - log_k 61.0796 - delta_h -0 kJ + Mn2Sb + 3 H2O = 2 Mn+2 + Sb(OH)3 + 7 e- + 3 H+ + log_k 61.0796 + delta_h -0 kJ USb2 - USb2 + 8H2O = UO2+2 + 2Sb(OH)3 + 12e- + 10H+ - log_k 29.5771 - delta_h -103.56 kJ + USb2 + 8 H2O = UO2+2 + 2 Sb(OH)3 + 12 e- + 10 H+ + log_k 29.5771 + delta_h -103.56 kJ U3Sb4 - U3Sb4 + 12H2O = 3U+4 + 4Sb(OH)3 + 24e- + 12H+ - log_k 152.383 - delta_h -986.04 kJ + U3Sb4 + 12 H2O = 3 U+4 + 4 Sb(OH)3 + 24 e- + 12 H+ + log_k 152.383 + delta_h -986.04 kJ Mg2Sb3 - Mg2Sb3 + 9H2O = 2Mg+2 + 3Sb(OH)3 + 9H+ + 13e- - log_k 74.6838 - delta_h -0 kJ + Mg2Sb3 + 9 H2O = 2 Mg+2 + 3 Sb(OH)3 + 9 H+ + 13 e- + log_k 74.6838 + delta_h -0 kJ Ca3Sb2 - Ca3Sb2 + 6H2O = 3Ca+2 + 2Sb(OH)3 + 6H+ + 12e- - log_k 142.974 - delta_h -732.744 kJ + Ca3Sb2 + 6 H2O = 3 Ca+2 + 2 Sb(OH)3 + 6 H+ + 12 e- + log_k 142.974 + delta_h -732.744 kJ NaSb - NaSb + 3H2O = Na+ + Sb(OH)3 + 3H+ + 4e- - log_k 23.1658 - delta_h -93.45 kJ + NaSb + 3 H2O = Na+ + Sb(OH)3 + 3 H+ + 4 e- + log_k 23.1658 + delta_h -93.45 kJ Na3Sb - Na3Sb + 3H2O = 3Na+ + Sb(OH)3 + 3H+ + 6e- - log_k 94.4517 - delta_h -432.13 kJ + Na3Sb + 3 H2O = 3 Na+ + Sb(OH)3 + 3 H+ + 6 e- + log_k 94.4517 + delta_h -432.13 kJ SeO2 SeO2 + H2O = HSeO3- + H+ - log_k 0.1246 - delta_h 1.4016 kJ + log_k 0.1246 + delta_h 1.4016 kJ SeO3 - SeO3 + H2O = SeO4-2 + 2H+ - log_k 21.044 - delta_h -146.377 kJ + SeO3 + H2O = SeO4-2 + 2 H+ + log_k 21.044 + delta_h -146.377 kJ Sb2O5 - Sb2O5 + 7H2O = 2Sb(OH)6- + 2H+ - log_k -9.6674 - delta_h -0 kJ + Sb2O5 + 7 H2O = 2 Sb(OH)6- + 2 H+ + log_k -9.6674 + delta_h -0 kJ SbO2 - SbO2 + 4H2O = Sb(OH)6- + e- + 2H+ - log_k -27.8241 - delta_h -0 kJ + SbO2 + 4 H2O = Sb(OH)6- + e- + 2 H+ + log_k -27.8241 + delta_h -0 kJ Sb2O4 - Sb2O4 + 2H2O + 2H+ + 2e- = 2Sb(OH)3 - log_k 3.4021 - delta_h -68.04 kJ + Sb2O4 + 2 H2O + 2 H+ + 2 e- = 2 Sb(OH)3 + log_k 3.4021 + delta_h -68.04 kJ Sb4O6(cubic) - Sb4O6 + 6H2O = 4Sb(OH)3 - log_k -18.2612 - delta_h 61.1801 kJ + Sb4O6 + 6 H2O = 4 Sb(OH)3 + log_k -18.2612 + delta_h 61.1801 kJ Sb4O6(orth) - Sb4O6 + 6H2O = 4Sb(OH)3 - log_k -17.9012 - delta_h 37.6801 kJ + Sb4O6 + 6 H2O = 4 Sb(OH)3 + log_k -17.9012 + delta_h 37.6801 kJ Sb(OH)3 Sb(OH)3 = Sb(OH)3 - log_k -7.1099 - delta_h 30.1248 kJ + log_k -7.1099 + delta_h 30.1248 kJ Senarmontite - Sb2O3 + 3H2O = 2Sb(OH)3 - log_k -12.3654 - delta_h 30.6478 kJ + Sb2O3 + 3 H2O = 2 Sb(OH)3 + log_k -12.3654 + delta_h 30.6478 kJ Valentinite - Sb2O3 + 3H2O = 2Sb(OH)3 - log_k -8.4806 - delta_h 19.0163 kJ + Sb2O3 + 3 H2O = 2 Sb(OH)3 + log_k -8.4806 + delta_h 19.0163 kJ Chalcedony - SiO2 + 2H2O = H4SiO4 - log_k -3.55 - delta_h 19.7 kJ + SiO2 + 2 H2O = H4SiO4 + log_k -3.55 + delta_h 19.7 kJ Cristobalite - SiO2 + 2H2O = H4SiO4 - log_k -3.35 - delta_h 20.006 kJ + SiO2 + 2 H2O = H4SiO4 + log_k -3.35 + delta_h 20.006 kJ Quartz - SiO2 + 2H2O = H4SiO4 - log_k -4 - delta_h 22.36 kJ + SiO2 + 2 H2O = H4SiO4 + log_k -4 + delta_h 22.36 kJ SiO2(am-gel) - SiO2 + 2H2O = H4SiO4 - log_k -2.71 - delta_h 14 kJ + SiO2 + 2 H2O = H4SiO4 + log_k -2.71 + delta_h 14 kJ SiO2(am-ppt) - SiO2 + 2H2O = H4SiO4 - log_k -2.74 - delta_h 15.15 kJ + SiO2 + 2 H2O = H4SiO4 + log_k -2.74 + delta_h 15.15 kJ SnO SnO + H2O = Sn(OH)2 - log_k -4.9141 - delta_h -0 kJ + log_k -4.9141 + delta_h -0 kJ SnO2 - SnO2 + 4H2O = Sn(OH)6-2 + 2H+ - log_k -28.9749 - delta_h -0 kJ + SnO2 + 4 H2O = Sn(OH)6-2 + 2 H+ + log_k -28.9749 + delta_h -0 kJ Sn(OH)2 Sn(OH)2 = Sn(OH)2 - log_k -5.4309 - delta_h -0 kJ + log_k -5.4309 + delta_h -0 kJ Sn(OH)4 - Sn(OH)4 + 2H2O = Sn(OH)6-2 + 2H+ - log_k -22.2808 - delta_h -0 kJ + Sn(OH)4 + 2 H2O = Sn(OH)6-2 + 2 H+ + log_k -22.2808 + delta_h -0 kJ H2Sn(OH)6 - H2Sn(OH)6 = Sn(OH)6-2 + 2H+ - log_k -23.5281 - delta_h -0 kJ + H2Sn(OH)6 = Sn(OH)6-2 + 2 H+ + log_k -23.5281 + delta_h -0 kJ Massicot - PbO + 2H+ = Pb+2 + H2O - log_k 12.894 - delta_h -66.848 kJ + PbO + 2 H+ = Pb+2 + H2O + log_k 12.894 + delta_h -66.848 kJ Litharge - PbO + 2H+ = Pb+2 + H2O - log_k 12.694 - delta_h -65.501 kJ + PbO + 2 H+ = Pb+2 + H2O + log_k 12.694 + delta_h -65.501 kJ PbO:0.3H2O - PbO:0.33H2O + 2H+ = Pb+2 + 1.33H2O - log_k 12.98 - delta_h -0 kJ + PbO:0.33H2O + 2 H+ = Pb+2 + 1.33 H2O + log_k 12.98 + delta_h -0 kJ Plattnerite - PbO2 + 4H+ + 2e- = Pb+2 + 2H2O - log_k 49.6001 - delta_h -296.27 kJ + PbO2 + 4 H+ + 2 e- = Pb+2 + 2 H2O + log_k 49.6001 + delta_h -296.27 kJ Pb(OH)2 - Pb(OH)2 + 2H+ = Pb+2 + 2H2O - log_k 8.15 - delta_h -58.5342 kJ + Pb(OH)2 + 2 H+ = Pb+2 + 2 H2O + log_k 8.15 + delta_h -58.5342 kJ Pb2O(OH)2 - Pb2O(OH)2 + 4H+ = 2Pb+2 + 3H2O - log_k 26.188 - delta_h -0 kJ + Pb2O(OH)2 + 4 H+ = 2 Pb+2 + 3 H2O + log_k 26.188 + delta_h -0 kJ Al(OH)3(am) - Al(OH)3 + 3H+ = Al+3 + 3H2O - log_k 10.8 - delta_h -111 kJ + Al(OH)3 + 3 H+ = Al+3 + 3 H2O + log_k 10.8 + delta_h -111 kJ Boehmite - AlOOH + 3H+ = Al+3 + 2H2O - log_k 8.578 - delta_h -117.696 kJ + AlOOH + 3 H+ = Al+3 + 2 H2O + log_k 8.578 + delta_h -117.696 kJ Diaspore - AlOOH + 3H+ = Al+3 + 2H2O - log_k 6.873 - delta_h -103.052 kJ + AlOOH + 3 H+ = Al+3 + 2 H2O + log_k 6.873 + delta_h -103.052 kJ Gibbsite - Al(OH)3 + 3H+ = Al+3 + 3H2O - log_k 8.291 - delta_h -95.3952 kJ + Al(OH)3 + 3 H+ = Al+3 + 3 H2O + log_k 8.291 + delta_h -95.3952 kJ Tl2O - Tl2O + 2H+ = 2Tl+ + H2O - log_k 27.0915 - delta_h -96.41 kJ + Tl2O + 2 H+ = 2 Tl+ + H2O + log_k 27.0915 + delta_h -96.41 kJ TlOH TlOH + H+ = Tl+ + H2O - log_k 12.9186 - delta_h -41.57 kJ + log_k 12.9186 + delta_h -41.57 kJ Avicennite - Tl2O3 + 3H2O = 2Tl(OH)3 - log_k -13 - delta_h -0 kJ + Tl2O3 + 3 H2O = 2 Tl(OH)3 + log_k -13 + delta_h -0 kJ Tl(OH)3 Tl(OH)3 = Tl(OH)3 - log_k -5.441 - delta_h -0 kJ + log_k -5.441 + delta_h -0 kJ Zn(OH)2(am) - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 12.474 - delta_h -80.62 kJ + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 12.474 + delta_h -80.62 kJ Zn(OH)2 - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 12.2 - delta_h -0 kJ + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 12.2 + delta_h -0 kJ Zn(OH)2(beta) - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 11.754 - delta_h -83.14 kJ + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 11.754 + delta_h -83.14 kJ Zn(OH)2(gamma) - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 11.734 - delta_h -0 kJ + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 11.734 + delta_h -0 kJ Zn(OH)2(epsilon) - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 11.534 - delta_h -81.8 kJ + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 11.534 + delta_h -81.8 kJ ZnO(active) - ZnO + 2H+ = Zn+2 + H2O - log_k 11.1884 - delta_h -88.76 kJ + ZnO + 2 H+ = Zn+2 + H2O + log_k 11.1884 + delta_h -88.76 kJ Zincite - ZnO + 2H+ = Zn+2 + H2O - log_k 11.334 - delta_h -89.62 kJ + ZnO + 2 H+ = Zn+2 + H2O + log_k 11.334 + delta_h -89.62 kJ Cd(OH)2(am) - Cd(OH)2 + 2H+ = Cd+2 + 2H2O - log_k 13.73 - delta_h -86.9017 kJ + Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O + log_k 13.73 + delta_h -86.9017 kJ Cd(OH)2 - Cd(OH)2 + 2H+ = Cd+2 + 2H2O - log_k 13.644 - delta_h -94.62 kJ + Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O + log_k 13.644 + delta_h -94.62 kJ Monteponite - CdO + 2H+ = Cd+2 + H2O - log_k 15.1034 - delta_h -103.4 kJ + CdO + 2 H+ = Cd+2 + H2O + log_k 15.1034 + delta_h -103.4 kJ Hg2(OH)2 - Hg2(OH)2 + 2H+ = Hg2+2 + 2H2O - log_k 5.2603 - delta_h -0 kJ + Hg2(OH)2 + 2 H+ = Hg2+2 + 2 H2O + log_k 5.2603 + delta_h -0 kJ Montroydite HgO + H2O = Hg(OH)2 - log_k -3.64 - delta_h -38.9 kJ + log_k -3.64 + delta_h -38.9 kJ Hg(OH)2 Hg(OH)2 = Hg(OH)2 - log_k -3.4963 - delta_h -0 kJ + log_k -3.4963 + delta_h -0 kJ Cuprite - Cu2O + 2H+ = 2Cu+ + H2O - log_k -1.406 - delta_h -124.02 kJ + Cu2O + 2 H+ = 2 Cu+ + H2O + log_k -1.406 + delta_h -124.02 kJ Cu(OH)2 - Cu(OH)2 + 2H+ = Cu+2 + 2H2O - log_k 8.674 - delta_h -56.42 kJ + Cu(OH)2 + 2 H+ = Cu+2 + 2 H2O + log_k 8.674 + delta_h -56.42 kJ Tenorite - CuO + 2H+ = Cu+2 + H2O - log_k 7.644 - delta_h -64.867 kJ + CuO + 2 H+ = Cu+2 + H2O + log_k 7.644 + delta_h -64.867 kJ Ag2O - Ag2O + 2H+ = 2Ag+ + H2O - log_k 12.574 - delta_h -45.62 kJ + Ag2O + 2 H+ = 2 Ag+ + H2O + log_k 12.574 + delta_h -45.62 kJ Ni(OH)2 - Ni(OH)2 + 2H+ = Ni+2 + 2H2O - log_k 12.794 - delta_h -95.96 kJ + Ni(OH)2 + 2 H+ = Ni+2 + 2 H2O + log_k 12.794 + delta_h -95.96 kJ Bunsenite - NiO + 2H+ = Ni+2 + H2O - log_k 12.4456 - delta_h -100.13 kJ + NiO + 2 H+ = Ni+2 + H2O + log_k 12.4456 + delta_h -100.13 kJ CoO - CoO + 2H+ = Co+2 + H2O - log_k 13.5864 - delta_h -106.295 kJ + CoO + 2 H+ = Co+2 + H2O + log_k 13.5864 + delta_h -106.295 kJ Co(OH)2 - Co(OH)2 + 2H+ = Co+2 + 2H2O - log_k 13.094 - delta_h -0 kJ + Co(OH)2 + 2 H+ = Co+2 + 2 H2O + log_k 13.094 + delta_h -0 kJ Co(OH)3 - Co(OH)3 + 3H+ = Co+3 + 3H2O - log_k -2.309 - delta_h -92.43 kJ + Co(OH)3 + 3 H+ = Co+3 + 3 H2O + log_k -2.309 + delta_h -92.43 kJ #Wustite-0.11 # WUSTITE-0.11 + 2H+ = 0.947Fe+2 + H2O # log_k 11.6879 # delta_h -103.938 kJ Fe(OH)2 - Fe(OH)2 + 2H+ = Fe+2 + 2H2O - log_k 13.564 - delta_h -0 kJ + Fe(OH)2 + 2 H+ = Fe+2 + 2 H2O + log_k 13.564 + delta_h -0 kJ Ferrihydrite - Fe(OH)3 + 3H+ = Fe+3 + 3H2O - log_k 3.191 - delta_h -73.374 kJ + Fe(OH)3 + 3 H+ = Fe+3 + 3 H2O + log_k 3.191 + delta_h -73.374 kJ Fe3(OH)8 - Fe3(OH)8 + 8H+ = 2Fe+3 + Fe+2 + 8H2O - log_k 20.222 - delta_h -0 kJ + Fe3(OH)8 + 8 H+ = 2 Fe+3 + Fe+2 + 8 H2O + log_k 20.222 + delta_h -0 kJ Goethite - FeOOH + 3H+ = Fe+3 + 2H2O - log_k 0.491 - delta_h -60.5843 kJ + FeOOH + 3 H+ = Fe+3 + 2 H2O + log_k 0.491 + delta_h -60.5843 kJ Pyrolusite - MnO2 + 4H+ + 2e- = Mn+2 + 2H2O - log_k 41.38 - delta_h -272 kJ + MnO2 + 4 H+ + 2 e- = Mn+2 + 2 H2O + log_k 41.38 + delta_h -272 kJ Birnessite - MnO2 + 4H+ + e- = Mn+3 + 2H2O - log_k 18.091 - delta_h -0 kJ + MnO2 + 4 H+ + e- = Mn+3 + 2 H2O + log_k 18.091 + delta_h -0 kJ Nsutite - MnO2 + 4H+ + e- = Mn+3 + 2H2O - log_k 17.504 - delta_h -0 kJ + MnO2 + 4 H+ + e- = Mn+3 + 2 H2O + log_k 17.504 + delta_h -0 kJ Pyrochroite - Mn(OH)2 + 2H+ = Mn+2 + 2H2O - log_k 15.194 - delta_h -97.0099 kJ + Mn(OH)2 + 2 H+ = Mn+2 + 2 H2O + log_k 15.194 + delta_h -97.0099 kJ Manganite - MnOOH + 3H+ + e- = Mn+2 + 2H2O - log_k 25.34 - delta_h -0 kJ + MnOOH + 3 H+ + e- = Mn+2 + 2 H2O + log_k 25.34 + delta_h -0 kJ Cr(OH)2 - Cr(OH)2 + 2H+ = Cr+2 + 2H2O - log_k 10.8189 - delta_h -35.6058 kJ + Cr(OH)2 + 2 H+ = Cr+2 + 2 H2O + log_k 10.8189 + delta_h -35.6058 kJ Cr(OH)3(am) Cr(OH)3 + H+ = Cr(OH)2+ + H2O - log_k -0.75 - delta_h -0 kJ + log_k -0.75 + delta_h -0 kJ Cr(OH)3 Cr(OH)3 + H+ = Cr(OH)2+ + H2O - log_k 1.3355 - delta_h -29.7692 kJ + log_k 1.3355 + delta_h -29.7692 kJ CrO3 - CrO3 + H2O = CrO4-2 + 2H+ - log_k -3.2105 - delta_h -5.2091 kJ + CrO3 + H2O = CrO4-2 + 2 H+ + log_k -3.2105 + delta_h -5.2091 kJ MoO3 - MoO3 + H2O = MoO4-2 + 2H+ - log_k -8 - delta_h -0 kJ + MoO3 + H2O = MoO4-2 + 2 H+ + log_k -8 + delta_h -0 kJ VO - VO + 2H+ = V+3 + H2O + e- - log_k 14.7563 - delta_h -113.041 kJ + VO + 2 H+ = V+3 + H2O + e- + log_k 14.7563 + delta_h -113.041 kJ V(OH)3 - V(OH)3 + 3H+ = V+3 + 3H2O - log_k 7.591 - delta_h -0 kJ + V(OH)3 + 3 H+ = V+3 + 3 H2O + log_k 7.591 + delta_h -0 kJ VO(OH)2 - VO(OH)2 + 2H+ = VO+2 + 2H2O - log_k 5.1506 - delta_h -0 kJ + VO(OH)2 + 2 H+ = VO+2 + 2 H2O + log_k 5.1506 + delta_h -0 kJ Uraninite - UO2 + 4H+ = U+4 + 2H2O - log_k -4.6693 - delta_h -77.86 kJ + UO2 + 4 H+ = U+4 + 2 H2O + log_k -4.6693 + delta_h -77.86 kJ UO2(am) - UO2 + 4H+ = U+4 + 2H2O - log_k 0.934 - delta_h -109.746 kJ + UO2 + 4 H+ = U+4 + 2 H2O + log_k 0.934 + delta_h -109.746 kJ UO3 - UO3 + 2H+ = UO2+2 + H2O - log_k 7.7 - delta_h -81.0299 kJ + UO3 + 2 H+ = UO2+2 + H2O + log_k 7.7 + delta_h -81.0299 kJ Gummite - UO3 + 2H+ = UO2+2 + H2O - log_k 7.6718 - delta_h -81.0299 kJ + UO3 + 2 H+ = UO2+2 + H2O + log_k 7.6718 + delta_h -81.0299 kJ UO2(OH)2(beta) - UO2(OH)2 + 2H+ = UO2+2 + 2H2O - log_k 5.6116 - delta_h -56.7599 kJ + UO2(OH)2 + 2 H+ = UO2+2 + 2 H2O + log_k 5.6116 + delta_h -56.7599 kJ Schoepite - UO2(OH)2:H2O + 2H+ = UO2+2 + 3H2O - log_k 5.994 - delta_h -49.79 kJ + UO2(OH)2:H2O + 2 H+ = UO2+2 + 3 H2O + log_k 5.994 + delta_h -49.79 kJ Be(OH)2(am) - Be(OH)2 + 2H+ = Be+2 + 2H2O - log_k 7.194 - delta_h -0 kJ + Be(OH)2 + 2 H+ = Be+2 + 2 H2O + log_k 7.194 + delta_h -0 kJ Be(OH)2(alpha) - Be(OH)2 + 2H+ = Be+2 + 2H2O - log_k 6.894 - delta_h -0 kJ + Be(OH)2 + 2 H+ = Be+2 + 2 H2O + log_k 6.894 + delta_h -0 kJ Be(OH)2(beta) - Be(OH)2 + 2H+ = Be+2 + 2H2O - log_k 6.494 - delta_h -0 kJ + Be(OH)2 + 2 H+ = Be+2 + 2 H2O + log_k 6.494 + delta_h -0 kJ Brucite - Mg(OH)2 + 2H+ = Mg+2 + 2H2O - log_k 16.844 - delta_h -113.996 kJ + Mg(OH)2 + 2 H+ = Mg+2 + 2 H2O + log_k 16.844 + delta_h -113.996 kJ Periclase - MgO + 2H+ = Mg+2 + H2O - log_k 21.5841 - delta_h -151.23 kJ + MgO + 2 H+ = Mg+2 + H2O + log_k 21.5841 + delta_h -151.23 kJ Mg(OH)2(active) - Mg(OH)2 + 2H+ = Mg+2 + 2H2O - log_k 18.794 - delta_h -0 kJ + Mg(OH)2 + 2 H+ = Mg+2 + 2 H2O + log_k 18.794 + delta_h -0 kJ Lime - CaO + 2H+ = Ca+2 + H2O - log_k 32.6993 - delta_h -193.91 kJ + CaO + 2 H+ = Ca+2 + H2O + log_k 32.6993 + delta_h -193.91 kJ Portlandite - Ca(OH)2 + 2H+ = Ca+2 + 2H2O - log_k 22.804 - delta_h -128.62 kJ + Ca(OH)2 + 2 H+ = Ca+2 + 2 H2O + log_k 22.804 + delta_h -128.62 kJ Ba(OH)2:8H2O - Ba(OH)2:8H2O + 2H+ = Ba+2 + 10H2O - log_k 24.394 - delta_h -54.32 kJ + Ba(OH)2:8H2O + 2 H+ = Ba+2 + 10 H2O + log_k 24.394 + delta_h -54.32 kJ Cu(SbO3)2 - Cu(SbO3)2 + 6H+ + 4e- = 2Sb(OH)3 + Cu+2 - log_k 45.2105 - delta_h -0 kJ + Cu(SbO3)2 + 6 H+ + 4 e- = 2 Sb(OH)3 + Cu+2 + log_k 45.2105 + delta_h -0 kJ Arsenolite - As4O6 + 6H2O = 4H3AsO3 - log_k -2.76 - delta_h 59.9567 kJ + As4O6 + 6 H2O = 4 H3AsO3 + log_k -2.76 + delta_h 59.9567 kJ Claudetite - As4O6 + 6H2O = 4H3AsO3 - log_k -3.065 - delta_h 55.6054 kJ + As4O6 + 6 H2O = 4 H3AsO3 + log_k -3.065 + delta_h 55.6054 kJ As2O5 - As2O5 + 3H2O = 2H3AsO4 - log_k 6.7061 - delta_h -22.64 kJ + As2O5 + 3 H2O = 2 H3AsO4 + log_k 6.7061 + delta_h -22.64 kJ Pb2O3 - Pb2O3 + 6H+ + 2e- = 2Pb+2 + 3H2O - log_k 61.04 - delta_h -0 kJ + Pb2O3 + 6 H+ + 2 e- = 2 Pb+2 + 3 H2O + log_k 61.04 + delta_h -0 kJ Minium - Pb3O4 + 8H+ + 2e- = 3Pb+2 + 4H2O - log_k 73.5219 - delta_h -421.874 kJ + Pb3O4 + 8 H+ + 2 e- = 3 Pb+2 + 4 H2O + log_k 73.5219 + delta_h -421.874 kJ Al2O3 - Al2O3 + 6H+ = 2Al+3 + 3H2O - log_k 19.6524 - delta_h -258.59 kJ + Al2O3 + 6 H+ = 2 Al+3 + 3 H2O + log_k 19.6524 + delta_h -258.59 kJ Co3O4 - Co3O4 + 8H+ = Co+2 + 2Co+3 + 4H2O - log_k -10.4956 - delta_h -107.5 kJ + Co3O4 + 8 H+ = Co+2 + 2 Co+3 + 4 H2O + log_k -10.4956 + delta_h -107.5 kJ CoFe2O4 - CoFe2O4 + 8H+ = Co+2 + 2Fe+3 + 4H2O - log_k -3.5281 - delta_h -158.82 kJ + CoFe2O4 + 8 H+ = Co+2 + 2 Fe+3 + 4 H2O + log_k -3.5281 + delta_h -158.82 kJ Magnetite - Fe3O4 + 8H+ = 2Fe+3 + Fe+2 + 4H2O - log_k 3.4028 - delta_h -208.526 kJ + Fe3O4 + 8 H+ = 2 Fe+3 + Fe+2 + 4 H2O + log_k 3.4028 + delta_h -208.526 kJ Hercynite - FeAl2O4 + 8H+ = Fe+2 + 2Al+3 + 4H2O - log_k 22.893 - delta_h -313.92 kJ + FeAl2O4 + 8 H+ = Fe+2 + 2 Al+3 + 4 H2O + log_k 22.893 + delta_h -313.92 kJ Hematite - Fe2O3 + 6H+ = 2Fe+3 + 3H2O - log_k -1.418 - delta_h -128.987 kJ + Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O + log_k -1.418 + delta_h -128.987 kJ Maghemite - Fe2O3 + 6H+ = 2Fe+3 + 3H2O - log_k 6.386 - delta_h -0 kJ + Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O + log_k 6.386 + delta_h -0 kJ Lepidocrocite - FeOOH + 3H+ = Fe+3 + 2H2O - log_k 1.371 - delta_h -0 kJ + FeOOH + 3 H+ = Fe+3 + 2 H2O + log_k 1.371 + delta_h -0 kJ Hausmannite - Mn3O4 + 8H+ + 2e- = 3Mn+2 + 4H2O - log_k 61.03 - delta_h -421 kJ + Mn3O4 + 8 H+ + 2 e- = 3 Mn+2 + 4 H2O + log_k 61.03 + delta_h -421 kJ Bixbyite - Mn2O3 + 6H+ = 2Mn+3 + 3H2O - log_k -0.6445 - delta_h -124.49 kJ + Mn2O3 + 6 H+ = 2 Mn+3 + 3 H2O + log_k -0.6445 + delta_h -124.49 kJ Cr2O3 - Cr2O3 + H2O + 2H+ = 2Cr(OH)2+ - log_k -2.3576 - delta_h -50.731 kJ + Cr2O3 + H2O + 2 H+ = 2 Cr(OH)2+ + log_k -2.3576 + delta_h -50.731 kJ #V2O3 # V2O3 + 3H+ = V+3 + 1.5H2O # log_k 4.9 # delta_h -82.5085 kJ V3O5 - V3O5 + 4H+ = 3VO+2 + 2H2O + 2e- - log_k 1.8361 - delta_h -98.46 kJ + V3O5 + 4 H+ = 3 VO+2 + 2 H2O + 2 e- + log_k 1.8361 + delta_h -98.46 kJ #V2O4 # V2O4 + 2H+ = VO+2 + H2O # log_k 4.27 # delta_h -58.8689 kJ V4O7 - V4O7 + 6H+ = 4VO+2 + 3H2O + 2e- - log_k 7.1865 - delta_h -163.89 kJ + V4O7 + 6 H+ = 4 VO+2 + 3 H2O + 2 e- + log_k 7.1865 + delta_h -163.89 kJ V6O13 - V6O13 + 2H+ = 6VO2+ + H2O + 4e- - log_k -60.86 - delta_h 271.5 kJ + V6O13 + 2 H+ = 6 VO2+ + H2O + 4 e- + log_k -60.86 + delta_h 271.5 kJ V2O5 - V2O5 + 2H+ = 2VO2+ + H2O - log_k -1.36 - delta_h 34 kJ + V2O5 + 2 H+ = 2 VO2+ + H2O + log_k -1.36 + delta_h 34 kJ U4O9 - U4O9 + 18H+ + 2e- = 4U+4 + 9H2O - log_k -3.0198 - delta_h -426.87 kJ + U4O9 + 18 H+ + 2 e- = 4 U+4 + 9 H2O + log_k -3.0198 + delta_h -426.87 kJ U3O8 - U3O8 + 16H+ + 4e- = 3U+4 + 8H2O - log_k 21.0834 - delta_h -485.44 kJ + U3O8 + 16 H+ + 4 e- = 3 U+4 + 8 H2O + log_k 21.0834 + delta_h -485.44 kJ Spinel - MgAl2O4 + 8H+ = Mg+2 + 2Al+3 + 4H2O - log_k 36.8476 - delta_h -388.012 kJ + MgAl2O4 + 8 H+ = Mg+2 + 2 Al+3 + 4 H2O + log_k 36.8476 + delta_h -388.012 kJ Magnesioferrite - Fe2MgO4 + 8H+ = Mg+2 + 2Fe+3 + 4H2O - log_k 16.8597 - delta_h -278.92 kJ + Fe2MgO4 + 8 H+ = Mg+2 + 2 Fe+3 + 4 H2O + log_k 16.8597 + delta_h -278.92 kJ Natron - Na2CO3:10H2O = 2Na+ + CO3-2 + 10H2O - log_k -1.311 - delta_h 65.8771 kJ + Na2CO3:10H2O = 2 Na+ + CO3-2 + 10 H2O + log_k -1.311 + delta_h 65.8771 kJ Cuprousferrite - CuFeO2 + 4H+ = Cu+ + Fe+3 + 2H2O - log_k -8.9171 - delta_h -15.89 kJ + CuFeO2 + 4 H+ = Cu+ + Fe+3 + 2 H2O + log_k -8.9171 + delta_h -15.89 kJ Cupricferrite - CuFe2O4 + 8H+ = Cu+2 + 2Fe+3 + 4H2O - log_k 5.9882 - delta_h -210.21 kJ + CuFe2O4 + 8 H+ = Cu+2 + 2 Fe+3 + 4 H2O + log_k 5.9882 + delta_h -210.21 kJ FeCr2O4 - FeCr2O4 + 4H+ = 2Cr(OH)2+ + Fe+2 - log_k 7.2003 - delta_h -140.4 kJ + FeCr2O4 + 4 H+ = 2 Cr(OH)2+ + Fe+2 + log_k 7.2003 + delta_h -140.4 kJ MgCr2O4 - MgCr2O4 + 4H+ = 2Cr(OH)2+ + Mg+2 - log_k 16.2007 - delta_h -179.4 kJ + MgCr2O4 + 4 H+ = 2 Cr(OH)2+ + Mg+2 + log_k 16.2007 + delta_h -179.4 kJ SbF3 - SbF3 + 3H2O = Sb(OH)3 + 3H+ + 3F- - log_k -10.2251 - delta_h -6.7279 kJ + SbF3 + 3 H2O = Sb(OH)3 + 3 H+ + 3 F- + log_k -10.2251 + delta_h -6.7279 kJ PbF2 - PbF2 = Pb+2 + 2F- - log_k -7.44 - delta_h 20 kJ + PbF2 = Pb+2 + 2 F- + log_k -7.44 + delta_h 20 kJ ZnF2 - ZnF2 = Zn+2 + 2F- - log_k -0.5343 - delta_h -59.69 kJ + ZnF2 = Zn+2 + 2 F- + log_k -0.5343 + delta_h -59.69 kJ CdF2 - CdF2 = Cd+2 + 2F- - log_k -1.2124 - delta_h -46.22 kJ + CdF2 = Cd+2 + 2 F- + log_k -1.2124 + delta_h -46.22 kJ Hg2F2 - Hg2F2 = Hg2+2 + 2F- - log_k -10.3623 - delta_h -18.486 kJ + Hg2F2 = Hg2+2 + 2 F- + log_k -10.3623 + delta_h -18.486 kJ CuF CuF = Cu+ + F- - log_k -4.9056 - delta_h 16.648 kJ + log_k -4.9056 + delta_h 16.648 kJ CuF2 - CuF2 = Cu+2 + 2F- - log_k 1.115 - delta_h -66.901 kJ + CuF2 = Cu+2 + 2 F- + log_k 1.115 + delta_h -66.901 kJ CuF2:2H2O - CuF2:2H2O = Cu+2 + 2F- + 2H2O - log_k -4.55 - delta_h -15.2716 kJ + CuF2:2H2O = Cu+2 + 2 F- + 2 H2O + log_k -4.55 + delta_h -15.2716 kJ AgF:4H2O - AgF:4H2O = Ag+ + F- + 4H2O - log_k 1.0491 - delta_h 15.4202 kJ + AgF:4H2O = Ag+ + F- + 4 H2O + log_k 1.0491 + delta_h 15.4202 kJ CoF2 - CoF2 = Co+2 + 2F- - log_k -1.5969 - delta_h -57.368 kJ + CoF2 = Co+2 + 2 F- + log_k -1.5969 + delta_h -57.368 kJ CoF3 - CoF3 = Co+3 + 3F- - log_k -1.4581 - delta_h -123.692 kJ + CoF3 = Co+3 + 3 F- + log_k -1.4581 + delta_h -123.692 kJ CrF3 - CrF3 + 2H2O = Cr(OH)2+ + 3F- + 2H+ - log_k -11.3367 - delta_h -23.3901 kJ + CrF3 + 2 H2O = Cr(OH)2+ + 3 F- + 2 H+ + log_k -11.3367 + delta_h -23.3901 kJ VF4 - VF4 + H2O = VO+2 + 4F- + 2H+ - log_k 14.93 - delta_h -199.117 kJ + VF4 + H2O = VO+2 + 4 F- + 2 H+ + log_k 14.93 + delta_h -199.117 kJ UF4 - UF4 = U+4 + 4F- - log_k -29.5371 - delta_h -79.0776 kJ + UF4 = U+4 + 4 F- + log_k -29.5371 + delta_h -79.0776 kJ UF4:2.5H2O - UF4:2.5H2O = U+4 + 4F- + 2.5H2O - log_k -32.7179 - delta_h 24.325 kJ + UF4:2.5H2O = U+4 + 4 F- + 2.5 H2O + log_k -32.7179 + delta_h 24.325 kJ MgF2 - MgF2 = Mg+2 + 2F- - log_k -8.13 - delta_h -8 kJ + MgF2 = Mg+2 + 2 F- + log_k -8.13 + delta_h -8 kJ Fluorite - CaF2 = Ca+2 + 2F- - log_k -10.5 - delta_h 8 kJ + CaF2 = Ca+2 + 2 F- + log_k -10.5 + delta_h 8 kJ SrF2 - SrF2 = Sr+2 + 2F- - log_k -8.58 - delta_h 4 kJ + SrF2 = Sr+2 + 2 F- + log_k -8.58 + delta_h 4 kJ BaF2 - BaF2 = Ba+2 + 2F- - log_k -5.82 - delta_h 4 kJ + BaF2 = Ba+2 + 2 F- + log_k -5.82 + delta_h 4 kJ Cryolite - Na3AlF6 = 3Na+ + Al+3 + 6F- - log_k -33.84 - delta_h 38 kJ + Na3AlF6 = 3 Na+ + Al+3 + 6 F- + log_k -33.84 + delta_h 38 kJ SbCl3 - SbCl3 + 3H2O = Sb(OH)3 + 3Cl- + 3H+ - log_k 0.5719 - delta_h -35.18 kJ + SbCl3 + 3 H2O = Sb(OH)3 + 3 Cl- + 3 H+ + log_k 0.5719 + delta_h -35.18 kJ SnCl2 - SnCl2 + 2H2O = Sn(OH)2 + 2H+ + 2Cl- - log_k -9.2752 - delta_h -0 kJ + SnCl2 + 2 H2O = Sn(OH)2 + 2 H+ + 2 Cl- + log_k -9.2752 + delta_h -0 kJ Cotunnite - PbCl2 = Pb+2 + 2Cl- - log_k -4.78 - delta_h 26.166 kJ + PbCl2 = Pb+2 + 2 Cl- + log_k -4.78 + delta_h 26.166 kJ Matlockite PbClF = Pb+2 + Cl- + F- - log_k -8.9733 - delta_h 33.19 kJ + log_k -8.9733 + delta_h 33.19 kJ Phosgenite - PbCl2:PbCO3 = 2Pb+2 + 2Cl- + CO3-2 - log_k -19.81 - delta_h -0 kJ + PbCl2:PbCO3 = 2 Pb+2 + 2 Cl- + CO3-2 + log_k -19.81 + delta_h -0 kJ Laurionite PbOHCl + H+ = Pb+2 + Cl- + H2O - log_k 0.623 - delta_h -0 kJ + log_k 0.623 + delta_h -0 kJ Pb2(OH)3Cl - Pb2(OH)3Cl + 3H+ = 2Pb+2 + 3H2O + Cl- - log_k 8.793 - delta_h -0 kJ + Pb2(OH)3Cl + 3 H+ = 2 Pb+2 + 3 H2O + Cl- + log_k 8.793 + delta_h -0 kJ TlCl TlCl = Tl+ + Cl- - log_k -3.74 - delta_h 41 kJ + log_k -3.74 + delta_h 41 kJ ZnCl2 - ZnCl2 = Zn+2 + 2Cl- - log_k 7.05 - delta_h -72.5 kJ + ZnCl2 = Zn+2 + 2 Cl- + log_k 7.05 + delta_h -72.5 kJ Zn2(OH)3Cl - Zn2(OH)3Cl + 3H+ = 2Zn+2 + 3H2O + Cl- - log_k 15.191 - delta_h -0 kJ + Zn2(OH)3Cl + 3 H+ = 2 Zn+2 + 3 H2O + Cl- + log_k 15.191 + delta_h -0 kJ Zn5(OH)8Cl2 - Zn5(OH)8Cl2 + 8H+ = 5Zn+2 + 8H2O + 2Cl- - log_k 38.5 - delta_h -0 kJ + Zn5(OH)8Cl2 + 8 H+ = 5 Zn+2 + 8 H2O + 2 Cl- + log_k 38.5 + delta_h -0 kJ CdCl2 - CdCl2 = Cd+2 + 2Cl- - log_k -0.6588 - delta_h -18.58 kJ + CdCl2 = Cd+2 + 2 Cl- + log_k -0.6588 + delta_h -18.58 kJ CdCl2:1H2O - CdCl2:1H2O = Cd+2 + 2Cl- + H2O - log_k -1.6932 - delta_h -7.47 kJ + CdCl2:H2O = Cd+2 + 2 Cl- + H2O + log_k -1.6932 + delta_h -7.47 kJ CdCl2:2.5H2O - CdCl2:2.5H2O = Cd+2 + 2Cl- + 2.5H2O - log_k -1.913 - delta_h 7.2849 kJ + CdCl2:2.5H2O = Cd+2 + 2 Cl- + 2.5 H2O + log_k -1.913 + delta_h 7.2849 kJ CdOHCl CdOHCl + H+ = Cd+2 + H2O + Cl- - log_k 3.5373 - delta_h -30.93 kJ + log_k 3.5373 + delta_h -30.93 kJ Calomel - Hg2Cl2 = Hg2+2 + 2Cl- - log_k -17.91 - delta_h 92 kJ + Hg2Cl2 = Hg2+2 + 2 Cl- + log_k -17.91 + delta_h 92 kJ HgCl2 - HgCl2 + 2H2O = Hg(OH)2 + 2Cl- + 2H+ - log_k -21.2621 - delta_h 107.82 kJ + HgCl2 + 2 H2O = Hg(OH)2 + 2 Cl- + 2 H+ + log_k -21.2621 + delta_h 107.82 kJ Nantokite CuCl = Cu+ + Cl- - log_k -6.73 - delta_h 42.662 kJ + log_k -6.73 + delta_h 42.662 kJ Melanothallite - CuCl2 = Cu+2 + 2Cl- - log_k 6.2572 - delta_h -63.407 kJ + CuCl2 = Cu+2 + 2 Cl- + log_k 6.2572 + delta_h -63.407 kJ Atacamite - Cu2(OH)3Cl + 3H+ = 2Cu+2 + 3H2O + Cl- - log_k 7.391 - delta_h -93.43 kJ + Cu2(OH)3Cl + 3 H+ = 2 Cu+2 + 3 H2O + Cl- + log_k 7.391 + delta_h -93.43 kJ Cerargyrite AgCl = Ag+ + Cl- - log_k -9.75 - delta_h 65.2 kJ + log_k -9.75 + delta_h 65.2 kJ CoCl2 - CoCl2 = Co+2 + 2Cl- - log_k 8.2672 - delta_h -79.815 kJ + CoCl2 = Co+2 + 2 Cl- + log_k 8.2672 + delta_h -79.815 kJ CoCl2:6H2O - CoCl2:6H2O = Co+2 + 2Cl- + 6H2O - log_k 2.5365 - delta_h 8.0598 kJ + CoCl2:6H2O = Co+2 + 2 Cl- + 6 H2O + log_k 2.5365 + delta_h 8.0598 kJ (Co(NH3)6)Cl3 - (Co(NH3)6)Cl3 + 6H+ = Co+3 + 6NH4+ + 3Cl- - log_k 20.0317 - delta_h -33.1 kJ + (Co(NH3)6)Cl3 + 6 H+ = Co+3 + 6 NH4+ + 3 Cl- + log_k 20.0317 + delta_h -33.1 kJ (Co(NH3)5OH2)Cl3 - (Co(NH3)5OH2)Cl3 + 5H+ = Co+3 + 5NH4+ + 3Cl- + H2O - log_k 11.7351 - delta_h -25.37 kJ + (Co(NH3)5OH2)Cl3 + 5 H+ = Co+3 + 5 NH4+ + 3 Cl- + H2O + log_k 11.7351 + delta_h -25.37 kJ (Co(NH3)5Cl)Cl2 - (Co(NH3)5Cl)Cl2 + 5H+ = Co+3 + 5NH4+ + 3Cl- - log_k 4.5102 - delta_h -10.74 kJ + (Co(NH3)5Cl)Cl2 + 5 H+ = Co+3 + 5 NH4+ + 3 Cl- + log_k 4.5102 + delta_h -10.74 kJ Fe(OH)2.7Cl.3 - Fe(OH)2.7Cl.3 + 2.7H+ = Fe+3 + 2.7H2O + 0.3Cl- - log_k -3.04 - delta_h -0 kJ + Fe(OH)2.7Cl.3 + 2.7 H+ = Fe+3 + 2.7 H2O + 0.3 Cl- + log_k -3.04 + delta_h -0 kJ MnCl2:4H2O - MnCl2:4H2O = Mn+2 + 2Cl- + 4H2O - log_k 2.7151 - delta_h -10.83 kJ + MnCl2:4H2O = Mn+2 + 2 Cl- + 4 H2O + log_k 2.7151 + delta_h -10.83 kJ CrCl2 - CrCl2 = Cr+2 + 2Cl- - log_k 14.0917 - delta_h -110.76 kJ + CrCl2 = Cr+2 + 2 Cl- + log_k 14.0917 + delta_h -110.76 kJ CrCl3 - CrCl3 + 2H2O = Cr(OH)2+ + 3Cl- + 2H+ - log_k 15.1145 - delta_h -121.08 kJ + CrCl3 + 2 H2O = Cr(OH)2+ + 3 Cl- + 2 H+ + log_k 15.1145 + delta_h -121.08 kJ VCl2 - VCl2 = V+3 + 2Cl- + e- - log_k 18.8744 - delta_h -141.16 kJ + VCl2 = V+3 + 2 Cl- + e- + log_k 18.8744 + delta_h -141.16 kJ VCl3 - VCl3 = V+3 + 3Cl- - log_k 23.4326 - delta_h -179.54 kJ + VCl3 = V+3 + 3 Cl- + log_k 23.4326 + delta_h -179.54 kJ VOCl - VOCl + 2H+ = V+3 + Cl- + H2O - log_k 11.1524 - delta_h -104.91 kJ + VOCl + 2 H+ = V+3 + Cl- + H2O + log_k 11.1524 + delta_h -104.91 kJ VOCl2 - VOCl2 = VO+2 + 2Cl- - log_k 12.7603 - delta_h -117.76 kJ + VOCl2 = VO+2 + 2 Cl- + log_k 12.7603 + delta_h -117.76 kJ VO2Cl VO2Cl = VO2+ + Cl- - log_k 2.8413 - delta_h -40.28 kJ + log_k 2.8413 + delta_h -40.28 kJ Halite NaCl = Na+ + Cl- - log_k 1.6025 - delta_h 3.7 kJ + log_k 1.6025 + delta_h 3.7 kJ SbBr3 - SbBr3 + 3H2O = Sb(OH)3 + 3Br- + 3H+ - log_k 0.9689 - delta_h -20.94 kJ + SbBr3 + 3 H2O = Sb(OH)3 + 3 Br- + 3 H+ + log_k 0.9689 + delta_h -20.94 kJ SnBr2 - SnBr2 + 2H2O = Sn(OH)2 + 2H+ + 2Br- - log_k -9.5443 - delta_h -0 kJ + SnBr2 + 2 H2O = Sn(OH)2 + 2 H+ + 2 Br- + log_k -9.5443 + delta_h -0 kJ SnBr4 - SnBr4 + 6H2O = Sn(OH)6-2 + 6H+ + 4Br- - log_k -28.8468 - delta_h -0 kJ + SnBr4 + 6 H2O = Sn(OH)6-2 + 6 H+ + 4 Br- + log_k -28.8468 + delta_h -0 kJ PbBr2 - PbBr2 = Pb+2 + 2Br- - log_k -5.3 - delta_h 35.499 kJ + PbBr2 = Pb+2 + 2 Br- + log_k -5.3 + delta_h 35.499 kJ PbBrF PbBrF = Pb+2 + Br- + F- - log_k -8.49 - delta_h -0 kJ + log_k -8.49 + delta_h -0 kJ TlBr TlBr = Tl+ + Br- - log_k -5.44 - delta_h 54 kJ + log_k -5.44 + delta_h 54 kJ ZnBr2:2H2O - ZnBr2:2H2O = Zn+2 + 2Br- + 2H2O - log_k 5.2005 - delta_h -30.67 kJ + ZnBr2:2H2O = Zn+2 + 2 Br- + 2 H2O + log_k 5.2005 + delta_h -30.67 kJ CdBr2:4H2O - CdBr2:4H2O = Cd+2 + 2Br- + 4H2O - log_k -2.425 - delta_h 30.5001 kJ + CdBr2:4H2O = Cd+2 + 2 Br- + 4 H2O + log_k -2.425 + delta_h 30.5001 kJ Hg2Br2 - Hg2Br2 = Hg2+2 + 2Br- - log_k -22.25 - delta_h 133 kJ + Hg2Br2 = Hg2+2 + 2 Br- + log_k -22.25 + delta_h 133 kJ HgBr2 - HgBr2 + 2H2O = Hg(OH)2 + 2Br- + 2H+ - log_k -25.2734 - delta_h 138.492 kJ + HgBr2 + 2 H2O = Hg(OH)2 + 2 Br- + 2 H+ + log_k -25.2734 + delta_h 138.492 kJ CuBr CuBr = Cu+ + Br- - log_k -8.3 - delta_h 54.86 kJ + log_k -8.3 + delta_h 54.86 kJ Cu2(OH)3Br - Cu2(OH)3Br + 3H+ = 2Cu+2 + 3H2O + Br- - log_k 7.9085 - delta_h -93.43 kJ + Cu2(OH)3Br + 3 H+ = 2 Cu+2 + 3 H2O + Br- + log_k 7.9085 + delta_h -93.43 kJ Bromyrite AgBr = Ag+ + Br- - log_k -12.3 - delta_h 84.5 kJ + log_k -12.3 + delta_h 84.5 kJ (Co(NH3)6)Br3 - (Co(NH3)6)Br3 + 6H+ = Co+3 + 6NH4+ + 3Br- - log_k 18.3142 - delta_h -21.1899 kJ + (Co(NH3)6)Br3 + 6 H+ = Co+3 + 6 NH4+ + 3 Br- + log_k 18.3142 + delta_h -21.1899 kJ (Co(NH3)5Cl)Br2 - (Co(NH3)5Cl)Br2 + 5H+ = Co+3 + 5NH4+ + Cl- + 2Br- - log_k 5.0295 - delta_h -6.4 kJ + (Co(NH3)5Cl)Br2 + 5 H+ = Co+3 + 5 NH4+ + Cl- + 2 Br- + log_k 5.0295 + delta_h -6.4 kJ CrBr3 - CrBr3 + 2H2O = Cr(OH)2+ + 3Br- + 2H+ - log_k 19.9086 - delta_h -141.323 kJ + CrBr3 + 2 H2O = Cr(OH)2+ + 3 Br- + 2 H+ + log_k 19.9086 + delta_h -141.323 kJ AsI3 - AsI3 + 3H2O = H3AsO3 + 3I- + 3H+ - log_k 4.2307 - delta_h 3.15 kJ + AsI3 + 3 H2O = H3AsO3 + 3 I- + 3 H+ + log_k 4.2307 + delta_h 3.15 kJ SbI3 - SbI3 + 3H2O = Sb(OH)3 + 3H+ + 3I- - log_k -0.538 - delta_h 13.5896 kJ + SbI3 + 3 H2O = Sb(OH)3 + 3 H+ + 3 I- + log_k -0.538 + delta_h 13.5896 kJ PbI2 - PbI2 = Pb+2 + 2I- - log_k -8.1 - delta_h 62 kJ + PbI2 = Pb+2 + 2 I- + log_k -8.1 + delta_h 62 kJ TlI TlI = Tl+ + I- - log_k -7.23 - delta_h 75 kJ + log_k -7.23 + delta_h 75 kJ ZnI2 - ZnI2 = Zn+2 + 2I- - log_k 7.3055 - delta_h -58.92 kJ + ZnI2 = Zn+2 + 2 I- + log_k 7.3055 + delta_h -58.92 kJ CdI2 - CdI2 = Cd+2 + 2I- - log_k -3.5389 - delta_h 13.82 kJ + CdI2 = Cd+2 + 2 I- + log_k -3.5389 + delta_h 13.82 kJ Hg2I2 - Hg2I2 = Hg2+2 + 2I- - log_k -28.34 - delta_h 163 kJ + Hg2I2 = Hg2+2 + 2 I- + log_k -28.34 + delta_h 163 kJ Coccinite - HgI2 + 2H2O = Hg(OH)2 + 2H+ + 2I- - log_k -34.9525 - delta_h 210.72 kJ + HgI2 + 2 H2O = Hg(OH)2 + 2 H+ + 2 I- + log_k -34.9525 + delta_h 210.72 kJ HgI2:2NH3 - HgI2:2NH3 + 2H2O = Hg(OH)2 + 2I- + 2NH4+ - log_k -16.2293 - delta_h 132.18 kJ + HgI2:2NH3 + 2 H2O = Hg(OH)2 + 2 I- + 2 NH4+ + log_k -16.2293 + delta_h 132.18 kJ HgI2:6NH3 - HgI2:6NH3 + 2H2O + 4H+ = Hg(OH)2 + 2I- + 6NH4+ - log_k 33.7335 - delta_h -90.3599 kJ + HgI2:6NH3 + 2 H2O + 4 H+ = Hg(OH)2 + 2 I- + 6 NH4+ + log_k 33.7335 + delta_h -90.3599 kJ CuI CuI = Cu+ + I- - log_k -12 - delta_h 82.69 kJ + log_k -12 + delta_h 82.69 kJ Iodyrite AgI = Ag+ + I- - log_k -16.08 - delta_h 110 kJ + log_k -16.08 + delta_h 110 kJ (Co(NH3)6)I3 - (Co(NH3)6)I3 + 6H+ = Co+3 + 6NH4+ + 3I- - log_k 16.5831 - delta_h -9.6999 kJ + (Co(NH3)6)I3 + 6 H+ = Co+3 + 6 NH4+ + 3 I- + log_k 16.5831 + delta_h -9.6999 kJ (Co(NH3)5Cl)I2 - (Co(NH3)5Cl)I2 + 5H+ = Co+3 + 5NH4+ + Cl- + 2I- - log_k 5.5981 - delta_h 0.66 kJ + (Co(NH3)5Cl)I2 + 5 H+ = Co+3 + 5 NH4+ + Cl- + 2 I- + log_k 5.5981 + delta_h 0.66 kJ CrI3 - CrI3 + 2H2O = Cr(OH)2+ + 3I- + 2H+ - log_k 20.4767 - delta_h -134.419 kJ + CrI3 + 2 H2O = Cr(OH)2+ + 3 I- + 2 H+ + log_k 20.4767 + delta_h -134.419 kJ Cerussite PbCO3 = Pb+2 + CO3-2 - log_k -13.13 - delta_h 24.79 kJ + log_k -13.13 + delta_h 24.79 kJ Pb2OCO3 - Pb2OCO3 + 2H+ = 2Pb+2 + H2O + CO3-2 - log_k -0.5578 - delta_h -40.8199 kJ + Pb2OCO3 + 2 H+ = 2 Pb+2 + H2O + CO3-2 + log_k -0.5578 + delta_h -40.8199 kJ Pb3O2CO3 - Pb3O2CO3 + 4H+ = 3Pb+2 + CO3-2 + 2H2O - log_k 11.02 - delta_h -110.583 kJ + Pb3O2CO3 + 4 H+ = 3 Pb+2 + CO3-2 + 2 H2O + log_k 11.02 + delta_h -110.583 kJ Hydrocerussite - Pb3(OH)2(CO3)2 + 2H+ = 3Pb+2 + 2H2O + 2CO3-2 - log_k -18.7705 - delta_h -0 kJ + Pb3(OH)2(CO3)2 + 2 H+ = 3 Pb+2 + 2 H2O + 2 CO3-2 + log_k -18.7705 + delta_h -0 kJ Pb10(OH)6O(CO3)6 - Pb10(OH)6O(CO3)6 + 8H+ = 10Pb+2 + 6CO3-2 + 7H2O - log_k -8.76 - delta_h -0 kJ + Pb10(OH)6O(CO3)6 + 8 H+ = 10 Pb+2 + 6 CO3-2 + 7 H2O + log_k -8.76 + delta_h -0 kJ Tl2CO3 - Tl2CO3 = 2Tl+ + CO3-2 - log_k -3.8367 - delta_h 35.49 kJ + Tl2CO3 = 2 Tl+ + CO3-2 + log_k -3.8367 + delta_h 35.49 kJ Smithsonite ZnCO3 = Zn+2 + CO3-2 - log_k -10 - delta_h -15.84 kJ + log_k -10 + delta_h -15.84 kJ ZnCO3:1H2O - ZnCO3:1H2O = Zn+2 + CO3-2 + H2O - log_k -10.26 - delta_h -0 kJ + ZnCO3:H2O = Zn+2 + CO3-2 + H2O + log_k -10.26 + delta_h -0 kJ Otavite CdCO3 = Cd+2 + CO3-2 - log_k -12 - delta_h -0.55 kJ + log_k -12 + delta_h -0.55 kJ Hg2CO3 Hg2CO3 = Hg2+2 + CO3-2 - log_k -16.05 - delta_h 45.14 kJ + log_k -16.05 + delta_h 45.14 kJ Hg3O2CO3 - Hg3O2CO3 + 4H2O = 3Hg(OH)2 + 2H+ + CO3-2 - log_k -29.682 - delta_h -0 kJ + Hg3O2CO3 + 4 H2O = 3 Hg(OH)2 + 2 H+ + CO3-2 + log_k -29.682 + delta_h -0 kJ CuCO3 CuCO3 = Cu+2 + CO3-2 - log_k -11.5 - delta_h -0 kJ + log_k -11.5 + delta_h -0 kJ Malachite - Cu2(OH)2CO3 + 2H+ = 2Cu+2 + 2H2O + CO3-2 - log_k -5.306 - delta_h 76.38 kJ + Cu2(OH)2CO3 + 2 H+ = 2 Cu+2 + 2 H2O + CO3-2 + log_k -5.306 + delta_h 76.38 kJ Azurite - Cu3(OH)2(CO3)2 + 2H+ = 3Cu+2 + 2H2O + 2CO3-2 - log_k -16.906 - delta_h -95.22 kJ + Cu3(OH)2(CO3)2 + 2 H+ = 3 Cu+2 + 2 H2O + 2 CO3-2 + log_k -16.906 + delta_h -95.22 kJ Ag2CO3 - Ag2CO3 = 2Ag+ + CO3-2 - log_k -11.09 - delta_h 42.15 kJ + Ag2CO3 = 2 Ag+ + CO3-2 + log_k -11.09 + delta_h 42.15 kJ NiCO3 NiCO3 = Ni+2 + CO3-2 - log_k -6.87 - delta_h -41.589 kJ + log_k -6.87 + delta_h -41.589 kJ CoCO3 CoCO3 = Co+2 + CO3-2 - log_k -9.98 - delta_h -12.7612 kJ + log_k -9.98 + delta_h -12.7612 kJ Siderite FeCO3 = Fe+2 + CO3-2 - log_k -10.24 - delta_h -16 kJ + log_k -10.24 + delta_h -16 kJ Rhodochrosite MnCO3 = Mn+2 + CO3-2 - log_k -10.58 - delta_h -1.88 kJ + log_k -10.58 + delta_h -1.88 kJ Rutherfordine UO2CO3 = UO2+2 + CO3-2 - log_k -14.5 - delta_h -3.03 kJ + log_k -14.5 + delta_h -3.03 kJ Artinite - MgCO3:Mg(OH)2:3H2O + 2H+ = 2Mg+2 + CO3-2 + 5H2O - log_k 9.6 - delta_h -120.257 kJ + MgCO3:Mg(OH)2:3H2O + 2 H+ = 2 Mg+2 + CO3-2 + 5 H2O + log_k 9.6 + delta_h -120.257 kJ Hydromagnesite - Mg5(CO3)4(OH)2:4H2O + 2H+ = 5Mg+2 + 4CO3-2 + 6H2O - log_k -8.766 - delta_h -218.447 kJ + Mg5(CO3)4(OH)2:4H2O + 2 H+ = 5 Mg+2 + 4 CO3-2 + 6 H2O + log_k -8.766 + delta_h -218.447 kJ Magnesite MgCO3 = Mg+2 + CO3-2 - log_k -7.46 - delta_h 20 kJ + log_k -7.46 + delta_h 20 kJ Nesquehonite - MgCO3:3H2O = Mg+2 + CO3-2 + 3H2O - log_k -4.67 - delta_h -24.2212 kJ + MgCO3:3H2O = Mg+2 + CO3-2 + 3 H2O + log_k -4.67 + delta_h -24.2212 kJ Aragonite CaCO3 = Ca+2 + CO3-2 - log_k -8.3 - delta_h -12 kJ + log_k -8.3 + delta_h -12 kJ Calcite CaCO3 = Ca+2 + CO3-2 - log_k -8.48 - delta_h -8 kJ + log_k -8.48 + delta_h -8 kJ Dolomite(ordered) - CaMg(CO3)2 = Ca+2 + Mg+2 + 2CO3-2 - log_k -17.09 - delta_h -39.5 kJ + CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2 + log_k -17.09 + delta_h -39.5 kJ Dolomite(disordered) - CaMg(CO3)2 = Ca+2 + Mg+2 + 2CO3-2 - log_k -16.54 - delta_h -46.4 kJ + CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2 + log_k -16.54 + delta_h -46.4 kJ Huntite - CaMg3(CO3)4 = 3Mg+2 + Ca+2 + 4CO3-2 - log_k -29.968 - delta_h -107.78 kJ + CaMg3(CO3)4 = 3 Mg+2 + Ca+2 + 4 CO3-2 + log_k -29.968 + delta_h -107.78 kJ Strontianite SrCO3 = Sr+2 + CO3-2 - log_k -9.27 - delta_h -0 kJ + log_k -9.27 + delta_h -0 kJ Witherite BaCO3 = Ba+2 + CO3-2 - log_k -8.57 - delta_h 4 kJ + log_k -8.57 + delta_h 4 kJ Thermonatrite - Na2CO3:H2O = 2Na+ + CO3-2 + H2O - log_k 0.637 - delta_h -10.4799 kJ + Na2CO3:H2O = 2 Na+ + CO3-2 + H2O + log_k 0.637 + delta_h -10.4799 kJ TlNO3 TlNO3 = Tl+ + NO3- - log_k -1.6127 - delta_h 42.44 kJ + log_k -1.6127 + delta_h 42.44 kJ Zn(NO3)2:6H2O - Zn(NO3)2:6H2O = Zn+2 + 2NO3- + 6H2O - log_k 3.3153 - delta_h 24.5698 kJ + Zn(NO3)2:6H2O = Zn+2 + 2 NO3- + 6 H2O + log_k 3.3153 + delta_h 24.5698 kJ Cu2(OH)3NO3 - Cu2(OH)3NO3 + 3H+ = 2Cu+2 + 3H2O + NO3- - log_k 9.251 - delta_h -72.5924 kJ + Cu2(OH)3NO3 + 3 H+ = 2 Cu+2 + 3 H2O + NO3- + log_k 9.251 + delta_h -72.5924 kJ (Co(NH3)6)(NO3)3 - (Co(NH3)6)(NO3)3 + 6H+ = Co+3 + 6NH4+ + 3NO3- - log_k 17.9343 - delta_h 1.59 kJ + (Co(NH3)6)(NO3)3 + 6 H+ = Co+3 + 6 NH4+ + 3 NO3- + log_k 17.9343 + delta_h 1.59 kJ (Co(NH3)5Cl)(NO3)2 - (Co(NH3)5Cl)(NO3)2 + 5H+ = Co+3 + 5NH4+ + Cl- + 2NO3- - log_k 6.2887 - delta_h 6.4199 kJ + (Co(NH3)5Cl)(NO3)2 + 5 H+ = Co+3 + 5 NH4+ + Cl- + 2 NO3- + log_k 6.2887 + delta_h 6.4199 kJ UO2(NO3)2 - UO2(NO3)2 = UO2+2 + 2NO3- - log_k 12.1476 - delta_h -83.3999 kJ + UO2(NO3)2 = UO2+2 + 2 NO3- + log_k 12.1476 + delta_h -83.3999 kJ UO2(NO3)2:2H2O - UO2(NO3)2:2H2O = UO2+2 + 2NO3- + 2H2O - log_k 4.851 - delta_h -25.355 kJ + UO2(NO3)2:2H2O = UO2+2 + 2 NO3- + 2 H2O + log_k 4.851 + delta_h -25.355 kJ UO2(NO3)2:3H2O - UO2(NO3)2:3H2O = UO2+2 + 2NO3- + 3H2O - log_k 3.39 - delta_h -9.1599 kJ + UO2(NO3)2:3H2O = UO2+2 + 2 NO3- + 3 H2O + log_k 3.39 + delta_h -9.1599 kJ UO2(NO3)2:6H2O - UO2(NO3)2:6H2O = UO2+2 + 2NO3- + 6H2O - log_k 2.0464 - delta_h 20.8201 kJ + UO2(NO3)2:6H2O = UO2+2 + 2 NO3- + 6 H2O + log_k 2.0464 + delta_h 20.8201 kJ Pb(BO2)2 - Pb(BO2)2 + 2H2O + 2H+ = Pb+2 + 2H3BO3 - log_k 6.5192 - delta_h -15.6119 kJ + Pb(BO2)2 + 2 H2O + 2 H+ = Pb+2 + 2 H3BO3 + log_k 6.5192 + delta_h -15.6119 kJ Zn(BO2)2 - Zn(BO2)2 + 2H2O + 2H+ = Zn+2 + 2H3BO3 - log_k 8.29 - delta_h -0 kJ + Zn(BO2)2 + 2 H2O + 2 H+ = Zn+2 + 2 H3BO3 + log_k 8.29 + delta_h -0 kJ Cd(BO2)2 - Cd(BO2)2 + 2H2O + 2H+ = Cd+2 + 2H3BO3 - log_k 9.84 - delta_h -0 kJ + Cd(BO2)2 + 2 H2O + 2 H+ = Cd+2 + 2 H3BO3 + log_k 9.84 + delta_h -0 kJ Co(BO2)2 - Co(BO2)2 + 2H2O + 2H+ = Co+2 + 2H3BO3 - log_k 27.0703 - delta_h -0 kJ + Co(BO2)2 + 2 H2O + 2 H+ = Co+2 + 2 H3BO3 + log_k 27.0703 + delta_h -0 kJ SnSO4 - SnSO4 + 2H2O = Sn(OH)2 + 2H+ + SO4-2 - log_k -56.9747 - delta_h -0 kJ + SnSO4 + 2 H2O = Sn(OH)2 + 2 H+ + SO4-2 + log_k -56.9747 + delta_h -0 kJ Sn(SO4)2 - Sn(SO4)2 + 6H2O = Sn(OH)6-2 + 6H+ + 2SO4-2 - log_k -15.2123 - delta_h -0 kJ + Sn(SO4)2 + 6 H2O = Sn(OH)6-2 + 6 H+ + 2 SO4-2 + log_k -15.2123 + delta_h -0 kJ Larnakite - PbO:PbSO4 + 2H+ = 2Pb+2 + SO4-2 + H2O - log_k -0.4344 - delta_h -21.83 kJ + PbO:PbSO4 + 2 H+ = 2 Pb+2 + SO4-2 + H2O + log_k -0.4344 + delta_h -21.83 kJ Pb3O2SO4 - Pb3O2SO4 + 4H+ = 3Pb+2 + SO4-2 + 2H2O - log_k 10.6864 - delta_h -79.14 kJ + Pb3O2SO4 + 4 H+ = 3 Pb+2 + SO4-2 + 2 H2O + log_k 10.6864 + delta_h -79.14 kJ Pb4O3SO4 - Pb4O3SO4 + 6H+ = 4Pb+2 + SO4-2 + 3H2O - log_k 21.8772 - delta_h -136.45 kJ + Pb4O3SO4 + 6 H+ = 4 Pb+2 + SO4-2 + 3 H2O + log_k 21.8772 + delta_h -136.45 kJ Anglesite PbSO4 = Pb+2 + SO4-2 - log_k -7.79 - delta_h 12 kJ + log_k -7.79 + delta_h 12 kJ Pb4(OH)6SO4 - Pb4(OH)6SO4 + 6H+ = 4Pb+2 + SO4-2 + 6H2O - log_k 21.1 - delta_h -0 kJ + Pb4(OH)6SO4 + 6 H+ = 4 Pb+2 + SO4-2 + 6 H2O + log_k 21.1 + delta_h -0 kJ AlOHSO4 AlOHSO4 + H+ = Al+3 + SO4-2 + H2O - log_k -3.23 - delta_h -0 kJ + log_k -3.23 + delta_h -0 kJ Al4(OH)10SO4 - Al4(OH)10SO4 + 10H+ = 4Al+3 + SO4-2 + 10H2O - log_k 22.7 - delta_h -0 kJ + Al4(OH)10SO4 + 10 H+ = 4 Al+3 + SO4-2 + 10 H2O + log_k 22.7 + delta_h -0 kJ Tl2SO4 - Tl2SO4 = 2Tl+ + SO4-2 - log_k -3.7868 - delta_h 33.1799 kJ + Tl2SO4 = 2 Tl+ + SO4-2 + log_k -3.7868 + delta_h 33.1799 kJ Zn2(OH)2SO4 - Zn2(OH)2SO4 + 2H+ = 2Zn+2 + 2H2O + SO4-2 - log_k 7.5 - delta_h -0 kJ + Zn2(OH)2SO4 + 2 H+ = 2 Zn+2 + 2 H2O + SO4-2 + log_k 7.5 + delta_h -0 kJ Zn4(OH)6SO4 - Zn4(OH)6SO4 + 6H+ = 4Zn+2 + 6H2O + SO4-2 - log_k 28.4 - delta_h -0 kJ + Zn4(OH)6SO4 + 6 H+ = 4 Zn+2 + 6 H2O + SO4-2 + log_k 28.4 + delta_h -0 kJ Zn3O(SO4)2 - Zn3O(SO4)2 + 2H+ = 3Zn+2 + 2SO4-2 + H2O - log_k 18.9135 - delta_h -258.08 kJ + Zn3O(SO4)2 + 2 H+ = 3 Zn+2 + 2 SO4-2 + H2O + log_k 18.9135 + delta_h -258.08 kJ Zincosite ZnSO4 = Zn+2 + SO4-2 - log_k 3.9297 - delta_h -82.586 kJ + log_k 3.9297 + delta_h -82.586 kJ ZnSO4:1H2O - ZnSO4:1H2O = Zn+2 + SO4-2 + H2O - log_k -0.638 - delta_h -44.0699 kJ + ZnSO4:H2O = Zn+2 + SO4-2 + H2O + log_k -0.638 + delta_h -44.0699 kJ Bianchite - ZnSO4:6H2O = Zn+2 + SO4-2 + 6H2O - log_k -1.765 - delta_h -0.6694 kJ + ZnSO4:6H2O = Zn+2 + SO4-2 + 6 H2O + log_k -1.765 + delta_h -0.6694 kJ Goslarite - ZnSO4:7H2O = Zn+2 + SO4-2 + 7H2O - log_k -2.0112 - delta_h 14.21 kJ + ZnSO4:7H2O = Zn+2 + SO4-2 + 7 H2O + log_k -2.0112 + delta_h 14.21 kJ Cd3(OH)4SO4 - Cd3(OH)4SO4 + 4H+ = 3Cd+2 + 4H2O + SO4-2 - log_k 22.56 - delta_h -0 kJ + Cd3(OH)4SO4 + 4 H+ = 3 Cd+2 + 4 H2O + SO4-2 + log_k 22.56 + delta_h -0 kJ Cd3(OH)2(SO4)2 - Cd3(OH)2(SO4)2 + 2H+ = 3Cd+2 + 2H2O + 2SO4-2 - log_k 6.71 - delta_h -0 kJ + Cd3(OH)2(SO4)2 + 2 H+ = 3 Cd+2 + 2 H2O + 2 SO4-2 + log_k 6.71 + delta_h -0 kJ Cd4(OH)6SO4 - Cd4(OH)6SO4 + 6H+ = 4Cd+2 + 6H2O + SO4-2 - log_k 28.4 - delta_h -0 kJ + Cd4(OH)6SO4 + 6 H+ = 4 Cd+2 + 6 H2O + SO4-2 + log_k 28.4 + delta_h -0 kJ CdSO4 CdSO4 = Cd+2 + SO4-2 - log_k -0.1722 - delta_h -51.98 kJ + log_k -0.1722 + delta_h -51.98 kJ CdSO4:1H2O - CdSO4:1H2O = Cd+2 + SO4-2 + H2O - log_k -1.7261 - delta_h -31.5399 kJ + CdSO4:H2O = Cd+2 + SO4-2 + H2O + log_k -1.7261 + delta_h -31.5399 kJ CdSO4:2.67H2O - CdSO4:2.67H2O = Cd+2 + SO4-2 + 2.67H2O - log_k -1.873 - delta_h -17.9912 kJ + CdSO4:2.67H2O = Cd+2 + SO4-2 + 2.67 H2O + log_k -1.873 + delta_h -17.9912 kJ Hg2SO4 Hg2SO4 = Hg2+2 + SO4-2 - log_k -6.13 - delta_h 5.4 kJ + log_k -6.13 + delta_h 5.4 kJ HgSO4 - HgSO4 + 2H2O = Hg(OH)2 + SO4-2 + 2H+ - log_k -9.4189 - delta_h 14.6858 kJ + HgSO4 + 2 H2O = Hg(OH)2 + SO4-2 + 2 H+ + log_k -9.4189 + delta_h 14.6858 kJ Cu2SO4 - Cu2SO4 = 2Cu+ + SO4-2 - log_k -1.95 - delta_h -19.079 kJ + Cu2SO4 = 2 Cu+ + SO4-2 + log_k -1.95 + delta_h -19.079 kJ Antlerite - Cu3(OH)4SO4 + 4H+ = 3Cu+2 + 4H2O + SO4-2 - log_k 8.788 - delta_h -0 kJ + Cu3(OH)4SO4 + 4 H+ = 3 Cu+2 + 4 H2O + SO4-2 + log_k 8.788 + delta_h -0 kJ Brochantite - Cu4(OH)6SO4 + 6H+ = 4Cu+2 + 6H2O + SO4-2 - log_k 15.222 - delta_h -202.86 kJ + Cu4(OH)6SO4 + 6 H+ = 4 Cu+2 + 6 H2O + SO4-2 + log_k 15.222 + delta_h -202.86 kJ Langite - Cu4(OH)6SO4:H2O + 6H+ = 4Cu+2 + 7H2O + SO4-2 - log_k 17.4886 - delta_h -165.55 kJ + Cu4(OH)6SO4:H2O + 6 H+ = 4 Cu+2 + 7 H2O + SO4-2 + log_k 17.4886 + delta_h -165.55 kJ CuOCuSO4 - CuOCuSO4 + 2H+ = 2Cu+2 + H2O + SO4-2 - log_k 10.3032 - delta_h -137.777 kJ + CuOCuSO4 + 2 H+ = 2 Cu+2 + H2O + SO4-2 + log_k 10.3032 + delta_h -137.777 kJ CuSO4 CuSO4 = Cu+2 + SO4-2 - log_k 2.9395 - delta_h -73.04 kJ + log_k 2.9395 + delta_h -73.04 kJ Chalcanthite - CuSO4:5H2O = Cu+2 + SO4-2 + 5H2O - log_k -2.64 - delta_h 6.025 kJ + CuSO4:5H2O = Cu+2 + SO4-2 + 5 H2O + log_k -2.64 + delta_h 6.025 kJ Ag2SO4 - Ag2SO4 = 2Ag+ + SO4-2 - log_k -4.82 - delta_h 17 kJ + Ag2SO4 = 2 Ag+ + SO4-2 + log_k -4.82 + delta_h 17 kJ Ni4(OH)6SO4 - Ni4(OH)6SO4 + 6H+ = 4Ni+2 + SO4-2 + 6H2O - log_k 32 - delta_h -0 kJ + Ni4(OH)6SO4 + 6 H+ = 4 Ni+2 + SO4-2 + 6 H2O + log_k 32 + delta_h -0 kJ Retgersite - NiSO4:6H2O = Ni+2 + SO4-2 + 6H2O - log_k -2.04 - delta_h 4.6024 kJ + NiSO4:6H2O = Ni+2 + SO4-2 + 6 H2O + log_k -2.04 + delta_h 4.6024 kJ Morenosite - NiSO4:7H2O = Ni+2 + SO4-2 + 7H2O - log_k -2.1449 - delta_h 12.1802 kJ + NiSO4:7H2O = Ni+2 + SO4-2 + 7 H2O + log_k -2.1449 + delta_h 12.1802 kJ CoSO4 CoSO4 = Co+2 + SO4-2 - log_k 2.8024 - delta_h -79.277 kJ + log_k 2.8024 + delta_h -79.277 kJ CoSO4:6H2O - CoSO4:6H2O = Co+2 + SO4-2 + 6H2O - log_k -2.4726 - delta_h 1.0801 kJ + CoSO4:6H2O = Co+2 + SO4-2 + 6 H2O + log_k -2.4726 + delta_h 1.0801 kJ Melanterite - FeSO4:7H2O = Fe+2 + SO4-2 + 7H2O - log_k -2.209 - delta_h 20.5 kJ + FeSO4:7H2O = Fe+2 + SO4-2 + 7 H2O + log_k -2.209 + delta_h 20.5 kJ Fe2(SO4)3 - Fe2(SO4)3 = 2Fe+3 + 3SO4-2 - log_k -3.7343 - delta_h -242.028 kJ + Fe2(SO4)3 = 2 Fe+3 + 3 SO4-2 + log_k -3.7343 + delta_h -242.028 kJ H-Jarosite - (H3O)Fe3(SO4)2(OH)6 + 5H+ = 3Fe+3 + 2SO4-2 + 7H2O - log_k -12.1 - delta_h -230.748 kJ + (H3O)Fe3(SO4)2(OH)6 + 5 H+ = 3 Fe+3 + 2 SO4-2 + 7 H2O + log_k -12.1 + delta_h -230.748 kJ Na-Jarosite - NaFe3(SO4)2(OH)6 + 6H+ = Na+ + 3Fe+3 + 2SO4-2 + 6H2O - log_k -11.2 - delta_h -151.377 kJ + NaFe3(SO4)2(OH)6 + 6 H+ = Na+ + 3 Fe+3 + 2 SO4-2 + 6 H2O + log_k -11.2 + delta_h -151.377 kJ K-Jarosite - KFe3(SO4)2(OH)6 + 6H+ = K+ + 3Fe+3 + 2SO4-2 + 6H2O - log_k -14.8 - delta_h -130.875 kJ + KFe3(SO4)2(OH)6 + 6 H+ = K+ + 3 Fe+3 + 2 SO4-2 + 6 H2O + log_k -14.8 + delta_h -130.875 kJ MnSO4 MnSO4 = Mn+2 + SO4-2 - log_k 2.5831 - delta_h -64.8401 kJ + log_k 2.5831 + delta_h -64.8401 kJ Mn2(SO4)3 - Mn2(SO4)3 = 2Mn+3 + 3SO4-2 - log_k -5.711 - delta_h -163.427 kJ + Mn2(SO4)3 = 2 Mn+3 + 3 SO4-2 + log_k -5.711 + delta_h -163.427 kJ VOSO4 VOSO4 = VO+2 + SO4-2 - log_k 3.6097 - delta_h -86.7401 kJ + log_k 3.6097 + delta_h -86.7401 kJ Epsomite - MgSO4:7H2O = Mg+2 + SO4-2 + 7H2O - log_k -2.1265 - delta_h 11.5601 kJ + MgSO4:7H2O = Mg+2 + SO4-2 + 7 H2O + log_k -2.1265 + delta_h 11.5601 kJ Anhydrite CaSO4 = Ca+2 + SO4-2 - log_k -4.36 - delta_h -7.2 kJ + log_k -4.36 + delta_h -7.2 kJ Gypsum - CaSO4:2H2O = Ca+2 + SO4-2 + 2H2O - log_k -4.61 - delta_h 1 kJ + CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O + log_k -4.61 + delta_h 1 kJ Celestite SrSO4 = Sr+2 + SO4-2 - log_k -6.62 - delta_h 2 kJ + log_k -6.62 + delta_h 2 kJ Barite BaSO4 = Ba+2 + SO4-2 - log_k -9.98 - delta_h 23 kJ + log_k -9.98 + delta_h 23 kJ Mirabilite - Na2SO4:10H2O = 2Na+ + SO4-2 + 10H2O - log_k -1.114 - delta_h 79.4416 kJ + Na2SO4:10H2O = 2 Na+ + SO4-2 + 10 H2O + log_k -1.114 + delta_h 79.4416 kJ Thenardite - Na2SO4 = 2Na+ + SO4-2 - log_k 0.3217 - delta_h -9.121 kJ + Na2SO4 = 2 Na+ + SO4-2 + log_k 0.3217 + delta_h -9.121 kJ K-Alum - KAl(SO4)2:12H2O = K+ + Al+3 + 2SO4-2 + 12H2O - log_k -5.17 - delta_h 30.2085 kJ + KAl(SO4)2:12H2O = K+ + Al+3 + 2 SO4-2 + 12 H2O + log_k -5.17 + delta_h 30.2085 kJ Alunite - KAl3(SO4)2(OH)6 + 6H+ = K+ + 3Al+3 + 2SO4-2 + 6H2O - log_k -1.4 - delta_h -210 kJ + KAl3(SO4)2(OH)6 + 6 H+ = K+ + 3 Al+3 + 2 SO4-2 + 6 H2O + log_k -1.4 + delta_h -210 kJ (NH4)2CrO4 - (NH4)2CrO4 = CrO4-2 + 2NH4+ - log_k 0.4046 - delta_h 9.163 kJ + (NH4)2CrO4 = CrO4-2 + 2 NH4+ + log_k 0.4046 + delta_h 9.163 kJ PbCrO4 PbCrO4 = Pb+2 + CrO4-2 - log_k -12.6 - delta_h 44.18 kJ + log_k -12.6 + delta_h 44.18 kJ Tl2CrO4 - Tl2CrO4 = 2Tl+ + CrO4-2 - log_k -12.01 - delta_h 74.27 kJ + Tl2CrO4 = 2 Tl+ + CrO4-2 + log_k -12.01 + delta_h 74.27 kJ Hg2CrO4 Hg2CrO4 = Hg2+2 + CrO4-2 - log_k -8.7 - delta_h -0 kJ + log_k -8.7 + delta_h -0 kJ CuCrO4 CuCrO4 = Cu+2 + CrO4-2 - log_k -5.44 - delta_h -0 kJ + log_k -5.44 + delta_h -0 kJ Ag2CrO4 - Ag2CrO4 = 2Ag+ + CrO4-2 - log_k -11.59 - delta_h 62 kJ + Ag2CrO4 = 2 Ag+ + CrO4-2 + log_k -11.59 + delta_h 62 kJ MgCrO4 MgCrO4 = CrO4-2 + Mg+2 - log_k 5.3801 - delta_h -88.9518 kJ + log_k 5.3801 + delta_h -88.9518 kJ CaCrO4 CaCrO4 = Ca+2 + CrO4-2 - log_k -2.2657 - delta_h -26.945 kJ + log_k -2.2657 + delta_h -26.945 kJ SrCrO4 SrCrO4 = Sr+2 + CrO4-2 - log_k -4.65 - delta_h -10.1253 kJ + log_k -4.65 + delta_h -10.1253 kJ BaCrO4 BaCrO4 = Ba+2 + CrO4-2 - log_k -9.67 - delta_h 33 kJ + log_k -9.67 + delta_h 33 kJ Li2CrO4 - Li2CrO4 = CrO4-2 + 2Li+ - log_k 4.8568 - delta_h -45.2792 kJ + Li2CrO4 = CrO4-2 + 2 Li+ + log_k 4.8568 + delta_h -45.2792 kJ Na2CrO4 - Na2CrO4 = CrO4-2 + 2Na+ - log_k 2.9302 - delta_h -19.6301 kJ + Na2CrO4 = CrO4-2 + 2 Na+ + log_k 2.9302 + delta_h -19.6301 kJ Na2Cr2O7 - Na2Cr2O7 + H2O = 2CrO4-2 + 2Na+ + 2H+ - log_k -9.8953 - delta_h 22.1961 kJ + Na2Cr2O7 + H2O = 2 CrO4-2 + 2 Na+ + 2 H+ + log_k -9.8953 + delta_h 22.1961 kJ K2CrO4 - K2CrO4 = CrO4-2 + 2K+ - log_k -0.5134 - delta_h 18.2699 kJ + K2CrO4 = CrO4-2 + 2 K+ + log_k -0.5134 + delta_h 18.2699 kJ K2Cr2O7 - K2Cr2O7 + H2O = 2CrO4-2 + 2K+ + 2H+ - log_k -17.2424 - delta_h 80.7499 kJ + K2Cr2O7 + H2O = 2 CrO4-2 + 2 K+ + 2 H+ + log_k -17.2424 + delta_h 80.7499 kJ Hg2SeO3 Hg2SeO3 + H+ = Hg2+2 + HSeO3- - log_k -4.657 - delta_h -0 kJ + log_k -4.657 + delta_h -0 kJ HgSeO3 - HgSeO3 + 2H2O = Hg(OH)2 + H+ + HSeO3- - log_k -12.43 - delta_h -0 kJ + HgSeO3 + 2 H2O = Hg(OH)2 + H+ + HSeO3- + log_k -12.43 + delta_h -0 kJ Ag2SeO3 - Ag2SeO3 + H+ = 2Ag+ + HSeO3- - log_k -7.15 - delta_h 39.68 kJ + Ag2SeO3 + H+ = 2 Ag+ + HSeO3- + log_k -7.15 + delta_h 39.68 kJ CuSeO3:2H2O - CuSeO3:2H2O + H+ = Cu+2 + HSeO3- + 2H2O - log_k 0.5116 - delta_h -36.861 kJ + CuSeO3:2H2O + H+ = Cu+2 + HSeO3- + 2 H2O + log_k 0.5116 + delta_h -36.861 kJ NiSeO3:2H2O - NiSeO3:2H2O + H+ = HSeO3- + Ni+2 + 2H2O - log_k 2.8147 - delta_h -31.0034 kJ + NiSeO3:2H2O + H+ = HSeO3- + Ni+2 + 2 H2O + log_k 2.8147 + delta_h -31.0034 kJ CoSeO3 CoSeO3 + H+ = Co+2 + HSeO3- - log_k 1.32 - delta_h -0 kJ + log_k 1.32 + delta_h -0 kJ Fe2(SeO3)3:2H2O - Fe2(SeO3)3:2H2O + 3H+ = 3HSeO3- + 2Fe+3 + 2H2O - log_k -20.6262 - delta_h -0 kJ + Fe2(SeO3)3:2H2O + 3 H+ = 3 HSeO3- + 2 Fe+3 + 2 H2O + log_k -20.6262 + delta_h -0 kJ Fe2(OH)4SeO3 - Fe2(OH)4SeO3 + 5H+ = HSeO3- + 2Fe+3 + 4H2O - log_k 1.5539 - delta_h -0 kJ + Fe2(OH)4SeO3 + 5 H+ = HSeO3- + 2 Fe+3 + 4 H2O + log_k 1.5539 + delta_h -0 kJ MnSeO3 MnSeO3 + H+ = Mn+2 + HSeO3- - log_k 1.13 - delta_h -0 kJ + log_k 1.13 + delta_h -0 kJ MnSeO3:2H2O - MnSeO3:2H2O + H+ = HSeO3- + Mn+2 + 2H2O - log_k 0.9822 - delta_h 8.4935 kJ + MnSeO3:2H2O + H+ = HSeO3- + Mn+2 + 2 H2O + log_k 0.9822 + delta_h 8.4935 kJ MgSeO3:6H2O - MgSeO3:6H2O + H+ = Mg+2 + HSeO3- + 6H2O - log_k 3.0554 - delta_h 5.23 kJ + MgSeO3:6H2O + H+ = Mg+2 + HSeO3- + 6 H2O + log_k 3.0554 + delta_h 5.23 kJ CaSeO3:2H2O - CaSeO3:2H2O + H+ = HSeO3- + Ca+2 + 2H2O - log_k 2.8139 - delta_h -19.4556 kJ + CaSeO3:2H2O + H+ = HSeO3- + Ca+2 + 2 H2O + log_k 2.8139 + delta_h -19.4556 kJ SrSeO3 SrSeO3 + H+ = Sr+2 + HSeO3- - log_k 2.3 - delta_h -0 kJ + log_k 2.3 + delta_h -0 kJ BaSeO3 BaSeO3 + H+ = Ba+2 + HSeO3- - log_k 1.83 - delta_h 11.98 kJ + log_k 1.83 + delta_h 11.98 kJ Na2SeO3:5H2O - Na2SeO3:5H2O + H+ = 2Na+ + HSeO3- + 5H2O - log_k 10.3 - delta_h -0 kJ + Na2SeO3:5H2O + H+ = 2 Na+ + HSeO3- + 5 H2O + log_k 10.3 + delta_h -0 kJ PbSeO4 PbSeO4 = Pb+2 + SeO4-2 - log_k -6.84 - delta_h 15 kJ + log_k -6.84 + delta_h 15 kJ Tl2SeO4 - Tl2SeO4 = 2Tl+ + SeO4-2 - log_k -4.1 - delta_h 43 kJ + Tl2SeO4 = 2 Tl+ + SeO4-2 + log_k -4.1 + delta_h 43 kJ ZnSeO4:6H2O - ZnSeO4:6H2O = Zn+2 + SeO4-2 + 6H2O - log_k -1.52 - delta_h -0 kJ + ZnSeO4:6H2O = Zn+2 + SeO4-2 + 6 H2O + log_k -1.52 + delta_h -0 kJ CdSeO4:2H2O - CdSeO4:2H2O = Cd+2 + SeO4-2 + 2H2O - log_k -1.85 - delta_h -0 kJ + CdSeO4:2H2O = Cd+2 + SeO4-2 + 2 H2O + log_k -1.85 + delta_h -0 kJ Ag2SeO4 - Ag2SeO4 = 2Ag+ + SeO4-2 - log_k -8.91 - delta_h -43.5 kJ + Ag2SeO4 = 2 Ag+ + SeO4-2 + log_k -8.91 + delta_h -43.5 kJ CuSeO4:5H2O - CuSeO4:5H2O = Cu+2 + SeO4-2 + 5H2O - log_k -2.44 - delta_h -0 kJ + CuSeO4:5H2O = Cu+2 + SeO4-2 + 5 H2O + log_k -2.44 + delta_h -0 kJ NiSeO4:6H2O - NiSeO4:6H2O = Ni+2 + SeO4-2 + 6H2O - log_k -1.52 - delta_h -0 kJ + NiSeO4:6H2O = Ni+2 + SeO4-2 + 6 H2O + log_k -1.52 + delta_h -0 kJ CoSeO4:6H2O - CoSeO4:6H2O = Co+2 + SeO4-2 + 6H2O - log_k -1.53 - delta_h -0 kJ + CoSeO4:6H2O = Co+2 + SeO4-2 + 6 H2O + log_k -1.53 + delta_h -0 kJ MnSeO4:5H2O - MnSeO4:5H2O = Mn+2 + SeO4-2 + 5H2O - log_k -2.05 - delta_h -0 kJ + MnSeO4:5H2O = Mn+2 + SeO4-2 + 5 H2O + log_k -2.05 + delta_h -0 kJ UO2SeO4:4H2O - UO2SeO4:4H2O = UO2+2 + SeO4-2 + 4H2O - log_k -2.25 - delta_h -0 kJ + UO2SeO4:4H2O = UO2+2 + SeO4-2 + 4 H2O + log_k -2.25 + delta_h -0 kJ MgSeO4:6H2O - MgSeO4:6H2O = Mg+2 + SeO4-2 + 6H2O - log_k -1.2 - delta_h -0 kJ + MgSeO4:6H2O = Mg+2 + SeO4-2 + 6 H2O + log_k -1.2 + delta_h -0 kJ CaSeO4:2H2O - CaSeO4:2H2O = Ca+2 + SeO4-2 + 2H2O - log_k -3.02 - delta_h -8.3 kJ + CaSeO4:2H2O = Ca+2 + SeO4-2 + 2 H2O + log_k -3.02 + delta_h -8.3 kJ SrSeO4 SrSeO4 = Sr+2 + SeO4-2 - log_k -4.4 - delta_h 0.4 kJ + log_k -4.4 + delta_h 0.4 kJ BaSeO4 BaSeO4 = Ba+2 + SeO4-2 - log_k -7.46 - delta_h 22 kJ + log_k -7.46 + delta_h 22 kJ BeSeO4:4H2O - BeSeO4:4H2O = Be+2 + SeO4-2 + 4H2O - log_k -2.94 - delta_h -0 kJ + BeSeO4:4H2O = Be+2 + SeO4-2 + 4 H2O + log_k -2.94 + delta_h -0 kJ Na2SeO4 - Na2SeO4 = 2Na+ + SeO4-2 - log_k 1.28 - delta_h -0 kJ + Na2SeO4 = 2 Na+ + SeO4-2 + log_k 1.28 + delta_h -0 kJ K2SeO4 - K2SeO4 = 2K+ + SeO4-2 - log_k -0.73 - delta_h -0 kJ + K2SeO4 = 2 K+ + SeO4-2 + log_k -0.73 + delta_h -0 kJ (NH4)2SeO4 - (NH4)2SeO4 = 2NH4+ + SeO4-2 - log_k 0.45 - delta_h -0 kJ + (NH4)2SeO4 = 2 NH4+ + SeO4-2 + log_k 0.45 + delta_h -0 kJ H2MoO4 - H2MoO4 = MoO4-2 + 2H+ - log_k -12.8765 - delta_h 49 kJ + H2MoO4 = MoO4-2 + 2 H+ + log_k -12.8765 + delta_h 49 kJ PbMoO4 PbMoO4 = Pb+2 + MoO4-2 - log_k -15.62 - delta_h 53.93 kJ + log_k -15.62 + delta_h 53.93 kJ Al2(MoO4)3 - Al2(MoO4)3 = 3MoO4-2 + 2Al+3 - log_k 2.3675 - delta_h -260.8 kJ + Al2(MoO4)3 = 3 MoO4-2 + 2 Al+3 + log_k 2.3675 + delta_h -260.8 kJ Tl2MoO4 - Tl2MoO4 = MoO4-2 + 2Tl+ - log_k -7.9887 - delta_h -0 kJ + Tl2MoO4 = MoO4-2 + 2 Tl+ + log_k -7.9887 + delta_h -0 kJ ZnMoO4 ZnMoO4 = MoO4-2 + Zn+2 - log_k -10.1254 - delta_h -10.6901 kJ + log_k -10.1254 + delta_h -10.6901 kJ CdMoO4 CdMoO4 = MoO4-2 + Cd+2 - log_k -14.1497 - delta_h 19.48 kJ + log_k -14.1497 + delta_h 19.48 kJ CuMoO4 CuMoO4 = MoO4-2 + Cu+2 - log_k -13.0762 - delta_h 12.2 kJ + log_k -13.0762 + delta_h 12.2 kJ Ag2MoO4 - Ag2MoO4 = 2Ag+ + MoO4-2 - log_k -11.55 - delta_h 52.7 kJ + Ag2MoO4 = 2 Ag+ + MoO4-2 + log_k -11.55 + delta_h 52.7 kJ NiMoO4 NiMoO4 = MoO4-2 + Ni+2 - log_k -11.1421 - delta_h 1.3 kJ + log_k -11.1421 + delta_h 1.3 kJ CoMoO4 CoMoO4 = MoO4-2 + Co+2 - log_k -7.7609 - delta_h -23.3999 kJ + log_k -7.7609 + delta_h -23.3999 kJ FeMoO4 FeMoO4 = MoO4-2 + Fe+2 - log_k -10.091 - delta_h -11.1 kJ + log_k -10.091 + delta_h -11.1 kJ BeMoO4 BeMoO4 = MoO4-2 + Be+2 - log_k -1.7817 - delta_h -56.4 kJ + log_k -1.7817 + delta_h -56.4 kJ MgMoO4 MgMoO4 = Mg+2 + MoO4-2 - log_k -1.85 - delta_h -0 kJ + log_k -1.85 + delta_h -0 kJ CaMoO4 CaMoO4 = Ca+2 + MoO4-2 - log_k -7.95 - delta_h -2 kJ + log_k -7.95 + delta_h -2 kJ BaMoO4 BaMoO4 = MoO4-2 + Ba+2 - log_k -6.9603 - delta_h 10.96 kJ + log_k -6.9603 + delta_h 10.96 kJ Li2MoO4 - Li2MoO4 = MoO4-2 + 2Li+ - log_k 2.4416 - delta_h -33.9399 kJ + Li2MoO4 = MoO4-2 + 2 Li+ + log_k 2.4416 + delta_h -33.9399 kJ Na2MoO4 - Na2MoO4 = MoO4-2 + 2Na+ - log_k 1.4901 - delta_h -9.98 kJ + Na2MoO4 = MoO4-2 + 2 Na+ + log_k 1.4901 + delta_h -9.98 kJ Na2MoO4:2H2O - Na2MoO4:2H2O = MoO4-2 + 2Na+ + 2H2O - log_k 1.224 - delta_h -0 kJ + Na2MoO4:2H2O = MoO4-2 + 2 Na+ + 2 H2O + log_k 1.224 + delta_h -0 kJ Na2Mo2O7 - Na2Mo2O7 + H2O = 2MoO4-2 + 2Na+ + 2H+ - log_k -16.5966 - delta_h 56.2502 kJ + Na2Mo2O7 + H2O = 2 MoO4-2 + 2 Na+ + 2 H+ + log_k -16.5966 + delta_h 56.2502 kJ K2MoO4 - K2MoO4 = MoO4-2 + 2K+ - log_k 3.2619 - delta_h -3.38 kJ + K2MoO4 = MoO4-2 + 2 K+ + log_k 3.2619 + delta_h -3.38 kJ PbHPO4 PbHPO4 = Pb+2 + H+ + PO4-3 - log_k -23.805 - delta_h -0 kJ + log_k -23.805 + delta_h -0 kJ Pb3(PO4)2 - Pb3(PO4)2 = 3Pb+2 + 2PO4-3 - log_k -43.53 - delta_h -0 kJ + Pb3(PO4)2 = 3 Pb+2 + 2 PO4-3 + log_k -43.53 + delta_h -0 kJ Pyromorphite - Pb5(PO4)3Cl = 5Pb+2 + 3PO4-3 + Cl- - log_k -84.43 - delta_h -0 kJ + Pb5(PO4)3Cl = 5 Pb+2 + 3 PO4-3 + Cl- + log_k -84.43 + delta_h -0 kJ Hydroxylpyromorphite - Pb5(PO4)3OH + H+ = 5Pb+2 + 3PO4-3 + H2O - log_k -62.79 - delta_h -0 kJ + Pb5(PO4)3OH + H+ = 5 Pb+2 + 3 PO4-3 + H2O + log_k -62.79 + delta_h -0 kJ Plumbgummite - PbAl3(PO4)2(OH)5:H2O + 5H+ = Pb+2 + 3Al+3 + 2PO4-3 + 6H2O - log_k -32.79 - delta_h -0 kJ + PbAl3(PO4)2(OH)5:H2O + 5 H+ = Pb+2 + 3 Al+3 + 2 PO4-3 + 6 H2O + log_k -32.79 + delta_h -0 kJ Hinsdalite - PbAl3PO4SO4(OH)6 + 6H+ = Pb+2 + 3Al+3 + PO4-3 + SO4-2 + 6H2O - log_k -2.5 - delta_h -0 kJ + PbAl3PO4SO4(OH)6 + 6 H+ = Pb+2 + 3 Al+3 + PO4-3 + SO4-2 + 6 H2O + log_k -2.5 + delta_h -0 kJ Tsumebite - Pb2CuPO4(OH)3:3H2O + 3H+ = 2Pb+2 + Cu+2 + PO4-3 + 6H2O - log_k -9.79 - delta_h -0 kJ + Pb2CuPO4(OH)3:3H2O + 3 H+ = 2 Pb+2 + Cu+2 + PO4-3 + 6 H2O + log_k -9.79 + delta_h -0 kJ Zn3(PO4)2:4H2O - Zn3(PO4)2:4H2O = 3Zn+2 + 2PO4-3 + 4H2O - log_k -35.42 - delta_h -0 kJ + Zn3(PO4)2:4H2O = 3 Zn+2 + 2 PO4-3 + 4 H2O + log_k -35.42 + delta_h -0 kJ Cd3(PO4)2 - Cd3(PO4)2 = 3Cd+2 + 2PO4-3 - log_k -32.6 - delta_h -0 kJ + Cd3(PO4)2 = 3 Cd+2 + 2 PO4-3 + log_k -32.6 + delta_h -0 kJ Hg2HPO4 Hg2HPO4 = Hg2+2 + H+ + PO4-3 - log_k -24.775 - delta_h -0 kJ + log_k -24.775 + delta_h -0 kJ Cu3(PO4)2 - Cu3(PO4)2 = 3Cu+2 + 2PO4-3 - log_k -36.85 - delta_h -0 kJ + Cu3(PO4)2 = 3 Cu+2 + 2 PO4-3 + log_k -36.85 + delta_h -0 kJ Cu3(PO4)2:3H2O - Cu3(PO4)2:3H2O = 3Cu+2 + 2PO4-3 + 3H2O - log_k -35.12 - delta_h -0 kJ + Cu3(PO4)2:3H2O = 3 Cu+2 + 2 PO4-3 + 3 H2O + log_k -35.12 + delta_h -0 kJ Ag3PO4 - Ag3PO4 = 3Ag+ + PO4-3 - log_k -17.59 - delta_h -0 kJ + Ag3PO4 = 3 Ag+ + PO4-3 + log_k -17.59 + delta_h -0 kJ Ni3(PO4)2 - Ni3(PO4)2 = 3Ni+2 + 2PO4-3 - log_k -31.3 - delta_h -0 kJ + Ni3(PO4)2 = 3 Ni+2 + 2 PO4-3 + log_k -31.3 + delta_h -0 kJ CoHPO4 CoHPO4 = Co+2 + PO4-3 + H+ - log_k -19.0607 - delta_h -0 kJ + log_k -19.0607 + delta_h -0 kJ Co3(PO4)2 - Co3(PO4)2 = 3Co+2 + 2PO4-3 - log_k -34.6877 - delta_h -0 kJ + Co3(PO4)2 = 3 Co+2 + 2 PO4-3 + log_k -34.6877 + delta_h -0 kJ Vivianite - Fe3(PO4)2:8H2O = 3Fe+2 + 2PO4-3 + 8H2O - log_k -36 - delta_h -0 kJ + Fe3(PO4)2:8H2O = 3 Fe+2 + 2 PO4-3 + 8 H2O + log_k -36 + delta_h -0 kJ Strengite - FePO4:2H2O = Fe+3 + PO4-3 + 2H2O - log_k -26.4 - delta_h -9.3601 kJ + FePO4:2H2O = Fe+3 + PO4-3 + 2 H2O + log_k -26.4 + delta_h -9.3601 kJ Mn3(PO4)2 - Mn3(PO4)2 = 3Mn+2 + 2PO4-3 - log_k -23.827 - delta_h 8.8701 kJ + Mn3(PO4)2 = 3 Mn+2 + 2 PO4-3 + log_k -23.827 + delta_h 8.8701 kJ MnHPO4 MnHPO4 = Mn+2 + PO4-3 + H+ - log_k -25.4 - delta_h -0 kJ + log_k -25.4 + delta_h -0 kJ (VO)3(PO4)2 - (VO)3(PO4)2 = 3VO+2 + 2PO4-3 - log_k -25.1 - delta_h -0 kJ + (VO)3(PO4)2 = 3 VO+2 + 2 PO4-3 + log_k -25.1 + delta_h -0 kJ Mg3(PO4)2 - Mg3(PO4)2 = 3Mg+2 + 2PO4-3 - log_k -23.28 - delta_h -0 kJ + Mg3(PO4)2 = 3 Mg+2 + 2 PO4-3 + log_k -23.28 + delta_h -0 kJ MgHPO4:3H2O - MgHPO4:3H2O = Mg+2 + H+ + PO4-3 + 3H2O - log_k -18.175 - delta_h -0 kJ + MgHPO4:3H2O = Mg+2 + H+ + PO4-3 + 3 H2O + log_k -18.175 + delta_h -0 kJ FCO3Apatite - Ca9.316Na0.36Mg0.144(PO4)4.8(CO3)1.2F2.48 = 9.316Ca+2 + 0.36Na+ + 0.144Mg+2 + 4.8PO4-3 + 1.2CO3-2 + 2.48F- - log_k -114.4 - delta_h 164.808 kJ + Ca9.316Na0.36Mg0.144(PO4)4.8(CO3)1.2F2.48 = 9.316 Ca+2 + 0.36 Na+ + 0.144 Mg+2 + 4.8 PO4-3 + 1.2 CO3-2 + 2.48 F- + log_k -114.4 + delta_h 164.808 kJ Hydroxylapatite - Ca5(PO4)3OH + H+ = 5Ca+2 + 3PO4-3 + H2O - log_k -44.333 - delta_h -0 kJ + Ca5(PO4)3OH + H+ = 5 Ca+2 + 3 PO4-3 + H2O + log_k -44.333 + delta_h -0 kJ CaHPO4:2H2O - CaHPO4:2H2O = Ca+2 + H+ + PO4-3 + 2H2O - log_k -18.995 - delta_h 23 kJ + CaHPO4:2H2O = Ca+2 + H+ + PO4-3 + 2 H2O + log_k -18.995 + delta_h 23 kJ CaHPO4 CaHPO4 = Ca+2 + H+ + PO4-3 - log_k -19.275 - delta_h 31 kJ + log_k -19.275 + delta_h 31 kJ Ca3(PO4)2(beta) - Ca3(PO4)2 = 3Ca+2 + 2PO4-3 - log_k -28.92 - delta_h 54 kJ + Ca3(PO4)2 = 3 Ca+2 + 2 PO4-3 + log_k -28.92 + delta_h 54 kJ Ca4H(PO4)3:3H2O - Ca4H(PO4)3:3H2O = 4Ca+2 + H+ + 3PO4-3 + 3H2O - log_k -47.08 - delta_h -0 kJ + Ca4H(PO4)3:3H2O = 4 Ca+2 + H+ + 3 PO4-3 + 3 H2O + log_k -47.08 + delta_h -0 kJ SrHPO4 SrHPO4 = Sr+2 + H+ + PO4-3 - log_k -19.295 - delta_h -0 kJ + log_k -19.295 + delta_h -0 kJ BaHPO4 BaHPO4 = Ba+2 + H+ + PO4-3 - log_k -19.775 - delta_h -0 kJ + log_k -19.775 + delta_h -0 kJ U(HPO4)2:4H2O - U(HPO4)2:4H2O = U+4 + 2PO4-3 + 2H+ + 4H2O - log_k -51.584 - delta_h 16.0666 kJ + U(HPO4)2:4H2O = U+4 + 2 PO4-3 + 2 H+ + 4 H2O + log_k -51.584 + delta_h 16.0666 kJ (UO2)3(PO4)2 - (UO2)3(PO4)2 = 3UO2+2 + 2PO4-3 - log_k -49.4 - delta_h 397.062 kJ + (UO2)3(PO4)2 = 3 UO2+2 + 2 PO4-3 + log_k -49.4 + delta_h 397.062 kJ UO2HPO4 UO2HPO4 = UO2+2 + H+ + PO4-3 - log_k -24.225 - delta_h -0 kJ + log_k -24.225 + delta_h -0 kJ Uramphite - (NH4)2(UO2)2(PO4)2 = 2UO2+2 + 2NH4+ + 2PO4-3 - log_k -51.749 - delta_h 40.5848 kJ + (NH4)2(UO2)2(PO4)2 = 2 UO2+2 + 2 NH4+ + 2 PO4-3 + log_k -51.749 + delta_h 40.5848 kJ Przhevalskite - Pb(UO2)2(PO4)2 = 2UO2+2 + Pb+2 + 2PO4-3 - log_k -44.365 - delta_h -46.024 kJ + Pb(UO2)2(PO4)2 = 2 UO2+2 + Pb+2 + 2 PO4-3 + log_k -44.365 + delta_h -46.024 kJ Torbernite - Cu(UO2)2(PO4)2 = 2UO2+2 + Cu+2 + 2PO4-3 - log_k -45.279 - delta_h -66.5256 kJ + Cu(UO2)2(PO4)2 = 2 UO2+2 + Cu+2 + 2 PO4-3 + log_k -45.279 + delta_h -66.5256 kJ Bassetite - Fe(UO2)2(PO4)2 = 2UO2+2 + Fe+2 + 2PO4-3 - log_k -44.485 - delta_h -83.2616 kJ + Fe(UO2)2(PO4)2 = 2 UO2+2 + Fe+2 + 2 PO4-3 + log_k -44.485 + delta_h -83.2616 kJ Saleeite - Mg(UO2)2(PO4)2 = 2UO2+2 + Mg+2 + 2PO4-3 - log_k -43.646 - delta_h -84.4331 kJ + Mg(UO2)2(PO4)2 = 2 UO2+2 + Mg+2 + 2 PO4-3 + log_k -43.646 + delta_h -84.4331 kJ Ningyoite - CaU(PO4)2:2H2O = U+4 + Ca+2 + 2PO4-3 + 2H2O - log_k -53.906 - delta_h -9.4977 kJ + CaU(PO4)2:2H2O = U+4 + Ca+2 + 2 PO4-3 + 2 H2O + log_k -53.906 + delta_h -9.4977 kJ H-Autunite - H2(UO2)2(PO4)2 = 2UO2+2 + 2H+ + 2PO4-3 - log_k -47.931 - delta_h -15.0624 kJ + H2(UO2)2(PO4)2 = 2 UO2+2 + 2 H+ + 2 PO4-3 + log_k -47.931 + delta_h -15.0624 kJ Autunite - Ca(UO2)2(PO4)2 = 2UO2+2 + Ca+2 + 2PO4-3 - log_k -43.927 - delta_h -59.9986 kJ + Ca(UO2)2(PO4)2 = 2 UO2+2 + Ca+2 + 2 PO4-3 + log_k -43.927 + delta_h -59.9986 kJ Sr-Autunite - Sr(UO2)2(PO4)2 = 2UO2+2 + Sr+2 + 2PO4-3 - log_k -44.457 - delta_h -54.6012 kJ + Sr(UO2)2(PO4)2 = 2 UO2+2 + Sr+2 + 2 PO4-3 + log_k -44.457 + delta_h -54.6012 kJ Na-Autunite - Na2(UO2)2(PO4)2 = 2UO2+2 + 2Na+ + 2PO4-3 - log_k -47.409 - delta_h -1.9246 kJ + Na2(UO2)2(PO4)2 = 2 UO2+2 + 2 Na+ + 2 PO4-3 + log_k -47.409 + delta_h -1.9246 kJ K-Autunite - K2(UO2)2(PO4)2 = 2UO2+2 + 2K+ + 2PO4-3 - log_k -48.244 - delta_h 24.5182 kJ + K2(UO2)2(PO4)2 = 2 UO2+2 + 2 K+ + 2 PO4-3 + log_k -48.244 + delta_h 24.5182 kJ Uranocircite - Ba(UO2)2(PO4)2 = 2UO2+2 + Ba+2 + 2PO4-3 - log_k -44.631 - delta_h -42.2584 kJ + Ba(UO2)2(PO4)2 = 2 UO2+2 + Ba+2 + 2 PO4-3 + log_k -44.631 + delta_h -42.2584 kJ Pb3(AsO4)2 - Pb3(AsO4)2 + 6H+ = 3Pb+2 + 2H3AsO4 - log_k 5.8 - delta_h -0 kJ + Pb3(AsO4)2 + 6 H+ = 3 Pb+2 + 2 H3AsO4 + log_k 5.8 + delta_h -0 kJ AlAsO4:2H2O - AlAsO4:2H2O + 3H+ = Al+3 + H3AsO4 + 2H2O - log_k 4.8 - delta_h -0 kJ + AlAsO4:2H2O + 3 H+ = Al+3 + H3AsO4 + 2 H2O + log_k 4.8 + delta_h -0 kJ Zn3(AsO4)2:2.5H2O - Zn3(AsO4)2:2.5H2O + 6H+ = 3Zn+2 + 2H3AsO4 + 2.5H2O - log_k 13.65 - delta_h -0 kJ + Zn3(AsO4)2:2.5H2O + 6 H+ = 3 Zn+2 + 2 H3AsO4 + 2.5 H2O + log_k 13.65 + delta_h -0 kJ Cu3(AsO4)2:2H2O - Cu3(AsO4)2:2H2O + 6H+ = 3Cu+2 + 2H3AsO4 + 2H2O - log_k 6.1 - delta_h -0 kJ + Cu3(AsO4)2:2H2O + 6 H+ = 3 Cu+2 + 2 H3AsO4 + 2 H2O + log_k 6.1 + delta_h -0 kJ Ag3AsO3 - Ag3AsO3 + 3H+ = 3Ag+ + H3AsO3 - log_k 2.1573 - delta_h -0 kJ + Ag3AsO3 + 3 H+ = 3 Ag+ + H3AsO3 + log_k 2.1573 + delta_h -0 kJ Ag3AsO4 - Ag3AsO4 + 3H+ = 3Ag+ + H3AsO4 - log_k -2.7867 - delta_h -0 kJ + Ag3AsO4 + 3 H+ = 3 Ag+ + H3AsO4 + log_k -2.7867 + delta_h -0 kJ Ni3(AsO4)2:8H2O - Ni3(AsO4)2:8H2O + 6H+ = 3Ni+2 + 2H3AsO4 + 8H2O - log_k 15.7 - delta_h -0 kJ + Ni3(AsO4)2:8H2O + 6 H+ = 3 Ni+2 + 2 H3AsO4 + 8 H2O + log_k 15.7 + delta_h -0 kJ Co3(AsO4)2 - Co3(AsO4)2 + 6H+ = 3Co+2 + 2H3AsO4 - log_k 13.0341 - delta_h -0 kJ + Co3(AsO4)2 + 6 H+ = 3 Co+2 + 2 H3AsO4 + log_k 13.0341 + delta_h -0 kJ FeAsO4:2H2O - FeAsO4:2H2O + 3H+ = Fe+3 + H3AsO4 + 2H2O - log_k 0.4 - delta_h -0 kJ + FeAsO4:2H2O + 3 H+ = Fe+3 + H3AsO4 + 2 H2O + log_k 0.4 + delta_h -0 kJ Mn3(AsO4)2:8H2O - Mn3(AsO4)2:8H2O + 6H+ = 3Mn+2 + 2H3AsO4 + 8H2O - log_k 12.5 - delta_h -0 kJ + Mn3(AsO4)2:8H2O + 6 H+ = 3 Mn+2 + 2 H3AsO4 + 8 H2O + log_k 12.5 + delta_h -0 kJ Ca3(AsO4)2:4H2O - Ca3(AsO4)2:4H2O + 6H+ = 3Ca+2 + 2H3AsO4 + 4H2O - log_k 22.3 - delta_h -0 kJ + Ca3(AsO4)2:4H2O + 6 H+ = 3 Ca+2 + 2 H3AsO4 + 4 H2O + log_k 22.3 + delta_h -0 kJ Ba3(AsO4)2 - Ba3(AsO4)2 + 6H+ = 3Ba+2 + 2H3AsO4 - log_k -8.91 - delta_h 11.0458 kJ + Ba3(AsO4)2 + 6 H+ = 3 Ba+2 + 2 H3AsO4 + log_k -8.91 + delta_h 11.0458 kJ #NH4VO3 # NH4VO3 + 2H+ = 2VO2+ + H2O # log_k 3.8 # delta_h 30 kJ Pb3(VO4)2 - Pb3(VO4)2 + 8H+ = 3Pb+2 + 2VO2+ + 4H2O - log_k 6.14 - delta_h -72.6342 kJ + Pb3(VO4)2 + 8 H+ = 3 Pb+2 + 2 VO2+ + 4 H2O + log_k 6.14 + delta_h -72.6342 kJ Pb2V2O7 - Pb2V2O7 + 6H+ = 2Pb+2 + 2VO2+ + 3H2O - log_k -1.9 - delta_h -26.945 kJ + Pb2V2O7 + 6 H+ = 2 Pb+2 + 2 VO2+ + 3 H2O + log_k -1.9 + delta_h -26.945 kJ AgVO3 - AgVO3 + 2H+ = Ag+ + VO2+ + H2O - log_k 0.77 - delta_h -0 kJ + AgVO3 + 2 H+ = Ag+ + VO2+ + H2O + log_k 0.77 + delta_h -0 kJ Ag2HVO4 - Ag2HVO4 + 3H+ = 2Ag+ + VO2+ + 2H2O - log_k 1.48 - delta_h -0 kJ + Ag2HVO4 + 3 H+ = 2 Ag+ + VO2+ + 2 H2O + log_k 1.48 + delta_h -0 kJ Ag3H2VO5 - Ag3H2VO5 + 4H+ = 3Ag+ + VO2+ + 3H2O - log_k 5.18 - delta_h -0 kJ + Ag3H2VO5 + 4 H+ = 3 Ag+ + VO2+ + 3 H2O + log_k 5.18 + delta_h -0 kJ Fe(VO3)2 - Fe(VO3)2 + 4H+ = Fe+2 + 2VO2+ + 2H2O - log_k -3.72 - delta_h -61.6722 kJ + Fe(VO3)2 + 4 H+ = Fe+2 + 2 VO2+ + 2 H2O + log_k -3.72 + delta_h -61.6722 kJ Mn(VO3)2 - Mn(VO3)2 + 4H+ = Mn+2 + 2VO2+ + 2H2O - log_k 4.9 - delta_h -92.4664 kJ + Mn(VO3)2 + 4 H+ = Mn+2 + 2 VO2+ + 2 H2O + log_k 4.9 + delta_h -92.4664 kJ Mg(VO3)2 - Mg(VO3)2 + 4H+ = Mg+2 + 2VO2+ + 2H2O - log_k 11.28 - delta_h -136.649 kJ + Mg(VO3)2 + 4 H+ = Mg+2 + 2 VO2+ + 2 H2O + log_k 11.28 + delta_h -136.649 kJ Mg2V2O7 - Mg2V2O7 + 6H+ = 2Mg+2 + 2VO2+ + 3H2O - log_k 26.36 - delta_h -255.224 kJ + Mg2V2O7 + 6 H+ = 2 Mg+2 + 2 VO2+ + 3 H2O + log_k 26.36 + delta_h -255.224 kJ Carnotite - KUO2VO4 + 4H+ = K+ + UO2+2 + VO2+ + 2H2O - log_k 0.23 - delta_h -36.4008 kJ + KUO2VO4 + 4 H+ = K+ + UO2+2 + VO2+ + 2 H2O + log_k 0.23 + delta_h -36.4008 kJ Tyuyamunite - Ca(UO2)2(VO4)2 + 8H+ = Ca+2 + 2UO2+2 + 2VO2+ + 4H2O - log_k 4.08 - delta_h -153.134 kJ + Ca(UO2)2(VO4)2 + 8 H+ = Ca+2 + 2 UO2+2 + 2 VO2+ + 4 H2O + log_k 4.08 + delta_h -153.134 kJ Ca(VO3)2 - Ca(VO3)2 + 4H+ = Ca+2 + 2VO2+ + 2H2O - log_k 5.66 - delta_h -84.7678 kJ + Ca(VO3)2 + 4 H+ = Ca+2 + 2 VO2+ + 2 H2O + log_k 5.66 + delta_h -84.7678 kJ Ca3(VO4)2 - Ca3(VO4)2 + 8H+ = 3Ca+2 + 2VO2+ + 4H2O - log_k 38.96 - delta_h -293.466 kJ + Ca3(VO4)2 + 8 H+ = 3 Ca+2 + 2 VO2+ + 4 H2O + log_k 38.96 + delta_h -293.466 kJ Ca2V2O7 - Ca2V2O7 + 6H+ = 2Ca+2 + 2VO2+ + 3H2O - log_k 17.5 - delta_h -159.494 kJ + Ca2V2O7 + 6 H+ = 2 Ca+2 + 2 VO2+ + 3 H2O + log_k 17.5 + delta_h -159.494 kJ Ca3(VO4)2:4H2O - Ca3(VO4)2:4H2O + 8H+ = 3Ca+2 + 2VO2+ + 8H2O - log_k 39.86 - delta_h -0 kJ + Ca3(VO4)2:4H2O + 8 H+ = 3 Ca+2 + 2 VO2+ + 8 H2O + log_k 39.86 + delta_h -0 kJ Ca2V2O7:2H2O - Ca2V2O7:2H2O + 6H+ = 2Ca+2 + 2VO2+ + 5H2O - log_k 21.552 - delta_h -0 kJ + Ca2V2O7:2H2O + 6 H+ = 2 Ca+2 + 2 VO2+ + 5 H2O + log_k 21.552 + delta_h -0 kJ Ba3(VO4)2:4H2O - Ba3(VO4)2:4H2O + 8H+ = 3Ba+2 + 2VO2+ + 8H2O - log_k 32.94 - delta_h -0 kJ + Ba3(VO4)2:4H2O + 8 H+ = 3 Ba+2 + 2 VO2+ + 8 H2O + log_k 32.94 + delta_h -0 kJ Ba2V2O7:2H2O - Ba2V2O7:2H2O + 6H+ = 2Ba+2 + 2VO2+ + 5H2O - log_k 15.872 - delta_h -0 kJ + Ba2V2O7:2H2O + 6 H+ = 2 Ba+2 + 2 VO2+ + 5 H2O + log_k 15.872 + delta_h -0 kJ NaVO3 - NaVO3 + 2H+ = Na+ + VO2+ + H2O - log_k 3.8582 - delta_h -30.1799 kJ + NaVO3 + 2 H+ = Na+ + VO2+ + H2O + log_k 3.8582 + delta_h -30.1799 kJ Na3VO4 - Na3VO4 + 4H+ = 3Na+ + VO2+ + 2H2O - log_k 36.6812 - delta_h -184.61 kJ + Na3VO4 + 4 H+ = 3 Na+ + VO2+ + 2 H2O + log_k 36.6812 + delta_h -184.61 kJ Na4V2O7 - Na4V2O7 + 6H+ = 4Na+ + 2VO2+ + 3H2O - log_k 37.4 - delta_h -201.083 kJ + Na4V2O7 + 6 H+ = 4 Na+ + 2 VO2+ + 3 H2O + log_k 37.4 + delta_h -201.083 kJ Halloysite - Al2Si2O5(OH)4 + 6H+ = 2Al+3 + 2H4SiO4 + H2O - log_k 9.5749 - delta_h -181.43 kJ + Al2Si2O5(OH)4 + 6 H+ = 2 Al+3 + 2 H4SiO4 + H2O + log_k 9.5749 + delta_h -181.43 kJ Kaolinite - Al2Si2O5(OH)4 + 6H+ = 2Al+3 + 2H4SiO4 + H2O - log_k 7.435 - delta_h -148 kJ + Al2Si2O5(OH)4 + 6 H+ = 2 Al+3 + 2 H4SiO4 + H2O + log_k 7.435 + delta_h -148 kJ Greenalite - Fe3Si2O5(OH)4 + 6H+ = 3Fe+2 + 2H4SiO4 + H2O - log_k 20.81 - delta_h -0 kJ + Fe3Si2O5(OH)4 + 6 H+ = 3 Fe+2 + 2 H4SiO4 + H2O + log_k 20.81 + delta_h -0 kJ Chrysotile - Mg3Si2O5(OH)4 + 6H+ = 3Mg+2 + 2H4SiO4 + H2O - log_k 32.2 - delta_h -196 kJ + Mg3Si2O5(OH)4 + 6 H+ = 3 Mg+2 + 2 H4SiO4 + H2O + log_k 32.2 + delta_h -196 kJ Sepiolite - Mg2Si3O7.5OH:3H2O + 4H+ + 0.5H2O = 2Mg+2 + 3H4SiO4 - log_k 15.76 - delta_h -114.089 kJ + Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5 H2O = 2 Mg+2 + 3 H4SiO4 + log_k 15.76 + delta_h -114.089 kJ Sepiolite(A) - Mg2Si3O7.5OH:3H2O + 0.5H2O + 4H+ = 2Mg+2 + 3H4SiO4 - log_k 18.78 - delta_h -0 kJ + Mg2Si3O7.5OH:3H2O + 0.5 H2O + 4 H+ = 2 Mg+2 + 3 H4SiO4 + log_k 18.78 + delta_h -0 kJ PHASES O2(g) - O2 + 4H+ + 4e- = 2H2O - log_k 83.0894 - delta_h -571.66 kJ + O2 + 4 H+ + 4 e- = 2 H2O + log_k 83.0894 + delta_h -571.66 kJ CH4(g) - CH4 + 3H2O = CO3-2 + 8e- + 10H+ - log_k -41.0452 - delta_h 257.133 kJ + CH4 + 3 H2O = CO3-2 + 8 e- + 10 H+ + log_k -41.0452 + delta_h 257.133 kJ CO2(g) - CO2 + H2O = 2H+ + CO3-2 - log_k -18.147 - delta_h 4.06 kJ + CO2 + H2O = 2 H+ + CO3-2 + log_k -18.147 + delta_h 4.06 kJ H2S(g) H2S = H+ + HS- - log_k -8.01 - delta_h -0 kJ + log_k -8.01 + delta_h -0 kJ H2Se(g) H2Se = HSe- + H+ - log_k -4.96 - delta_h -15.3 kJ + log_k -4.96 + delta_h -15.3 kJ Hg(g) - Hg = 0.5Hg2+2 + e- - log_k -7.8733 - delta_h 22.055 kJ + Hg = 0.5 Hg2+2 + e- + log_k -7.8733 + delta_h 22.055 kJ Hg2(g) - Hg2 = Hg2+2 + 2e- - log_k -14.9554 - delta_h 58.07 kJ + Hg2 = Hg2+2 + 2 e- + log_k -14.9554 + delta_h 58.07 kJ Hg(CH3)2(g) - Hg(CH3)2 + 8H2O = Hg(OH)2 + 2CO3-2 + 16e- + 20H+ - log_k -73.7066 - delta_h 481.99 kJ + Hg(CH3)2 + 8 H2O = Hg(OH)2 + 2 CO3-2 + 16 e- + 20 H+ + log_k -73.7066 + delta_h 481.99 kJ HgF(g) - HgF = 0.5Hg2+2 + F- - log_k 32.6756 - delta_h -254.844 kJ + HgF = 0.5 Hg2+2 + F- + log_k 32.6756 + delta_h -254.844 kJ HgF2(g) - HgF2 + 2H2O = Hg(OH)2 + 2F- + 2H+ - log_k 12.5652 - delta_h -165.186 kJ + HgF2 + 2 H2O = Hg(OH)2 + 2 F- + 2 H+ + log_k 12.5652 + delta_h -165.186 kJ HgCl(g) - HgCl = 0.5Hg2+2 + Cl- - log_k 19.4966 - delta_h -162.095 kJ + HgCl = 0.5 Hg2+2 + Cl- + log_k 19.4966 + delta_h -162.095 kJ HgBr(g) - HgBr = 0.5Hg2+2 + Br- - log_k 16.7566 - delta_h -142.157 kJ + HgBr = 0.5 Hg2+2 + Br- + log_k 16.7566 + delta_h -142.157 kJ HgBr2(g) - HgBr2 + 2H2O = Hg(OH)2 + 2Br- + 2H+ - log_k -18.3881 - delta_h 54.494 kJ + HgBr2 + 2 H2O = Hg(OH)2 + 2 Br- + 2 H+ + log_k -18.3881 + delta_h 54.494 kJ HgI(g) - HgI = 0.5Hg2+2 + I- - log_k 11.3322 - delta_h -106.815 kJ + HgI = 0.5 Hg2+2 + I- + log_k 11.3322 + delta_h -106.815 kJ HgI2(g) - HgI2 + 2H2O = Hg(OH)2 + 2I- + 2H+ - log_k -27.2259 - delta_h 114.429 kJ + HgI2 + 2 H2O = Hg(OH)2 + 2 I- + 2 H+ + log_k -27.2259 + delta_h 114.429 kJ SURFACE_MASTER_SPECIES - Hfo_s Hfo_sOH - Hfo_w Hfo_wOH + Hfo_s Hfo_sOH + Hfo_w Hfo_wOH SURFACE_SPECIES -Hfo_wOH = Hfo_wOH - log_k 0.0 -Hfo_sOH = Hfo_sOH - log_k 0.0 +Hfo_wOH = Hfo_wOH + log_k 0 +Hfo_sOH = Hfo_sOH + log_k 0 Hfo_sOH + H+ = Hfo_sOH2+ - log_k 7.29 - delta_h 0 kJ + log_k 7.29 + delta_h 0 kJ # Id: 8113302 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH = Hfo_sO- + H+ - log_k -8.93 - delta_h 0 kJ + log_k -8.93 + delta_h 0 kJ # Id: 8113301 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + H+ = Hfo_wOH2+ - log_k 7.29 - delta_h 0 kJ + log_k 7.29 + delta_h 0 kJ # Id: 8123302 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH = Hfo_wO- + H+ - log_k -8.93 - delta_h 0 kJ + log_k -8.93 + delta_h 0 kJ # Id: 8123301 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + Ba+2 = Hfo_sOHBa+2 - log_k 5.46 - delta_h 0 kJ + log_k 5.46 + delta_h 0 kJ # Id: 8111000 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+ - log_k -7.2 - delta_h 0 kJ + log_k -7.2 + delta_h 0 kJ # Id: 8121000 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + Ca+2 = Hfo_sOHCa+2 - log_k 4.97 - delta_h 0 kJ + log_k 4.97 + delta_h 0 kJ # Id: 8111500 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+ - log_k -5.85 - delta_h 0 kJ + log_k -5.85 + delta_h 0 kJ # Id: 8121500 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + Mg+2 = Hfo_wOMg+ + H+ - log_k -4.6 - delta_h 0 kJ + log_k -4.6 + delta_h 0 kJ # Id: 8124600 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + Ag+ = Hfo_sOAg + H+ - log_k -1.72 - delta_h 0 kJ + log_k -1.72 + delta_h 0 kJ # Id: 8110200 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + Ag+ = Hfo_wOAg + H+ - log_k -5.3 - delta_h 0 kJ + log_k -5.3 + delta_h 0 kJ # Id: 8120200 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + Ni+2 = Hfo_sONi+ + H+ - log_k 0.37 - delta_h 0 kJ + log_k 0.37 + delta_h 0 kJ # Id: 8115400 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + Ni+2 = Hfo_wONi+ + H+ - log_k -2.5 - delta_h 0 kJ + log_k -2.5 + delta_h 0 kJ # Id: 8125400 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+ - log_k 0.47 - delta_h 0 kJ + log_k 0.47 + delta_h 0 kJ # Id: 8111600 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+ - log_k -2.9 - delta_h 0 kJ + log_k -2.9 + delta_h 0 kJ # Id: 8121600 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + Co+2 = Hfo_sOCo+ + H+ - log_k -0.46 - delta_h 0 kJ + log_k -0.46 + delta_h 0 kJ # Id: 8112000 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + Co+2 = Hfo_wOCo+ + H+ - log_k -3.01 - delta_h 0 kJ + log_k -3.01 + delta_h 0 kJ # Id: 8122000 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+ - log_k 0.99 - delta_h 0 kJ + log_k 0.99 + delta_h 0 kJ # Id: 8119500 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+ - log_k -1.99 - delta_h 0 kJ + log_k -1.99 + delta_h 0 kJ # Id: 8129500 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+ - log_k 2.89 - delta_h 0 kJ + log_k 2.89 + delta_h 0 kJ # Id: 8112310 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+ - log_k 0.6 - delta_h 0 kJ + log_k 0.6 + delta_h 0 kJ # Id: 8123100 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+ - log_k 4.65 - delta_h 0 kJ + log_k 4.65 + delta_h 0 kJ # Id: 8116000 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+ - log_k 0.3 - delta_h 0 kJ + log_k 0.3 + delta_h 0 kJ # Id: 8126000 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + Be+2 = Hfo_sOBe+ + H+ - log_k 5.7 - delta_h 0 kJ + log_k 5.7 + delta_h 0 kJ # Id: 8111100 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + Be+2 = Hfo_wOBe+ + H+ - log_k 3.3 - delta_h 0 kJ + log_k 3.3 + delta_h 0 kJ # Id: 8121100 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: -Hfo_sOH + Hg(OH)2 + H+ = Hfo_sOHg+ + 2H2O - log_k 13.95 - delta_h 0 kJ +Hfo_sOH + Hg(OH)2 + H+ = Hfo_sOHg+ + 2 H2O + log_k 13.95 + delta_h 0 kJ # Id: 8113610 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: -Hfo_wOH + Hg(OH)2 + H+ = Hfo_wOHg+ + 2H2O - log_k 12.64 - delta_h 0 kJ +Hfo_wOH + Hg(OH)2 + H+ = Hfo_wOHg+ + 2 H2O + log_k 12.64 + delta_h 0 kJ # Id: 8123610 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: -Hfo_sOH + Sn(OH)2 + H+ = Hfo_sOSn+ + 2H2O - log_k 15.1 - delta_h 0 kJ +Hfo_sOH + Sn(OH)2 + H+ = Hfo_sOSn+ + 2 H2O + log_k 15.1 + delta_h 0 kJ # Id: 8117900 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: -Hfo_wOH + Sn(OH)2 + H+ = Hfo_wOSn+ + 2H2O - log_k 13 - delta_h 0 kJ +Hfo_wOH + Sn(OH)2 + H+ = Hfo_wOSn+ + 2 H2O + log_k 13 + delta_h 0 kJ # Id: 8127900 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + Cr(OH)2+ = Hfo_sOCrOH+ + H2O - log_k 11.63 - delta_h 0 kJ + log_k 11.63 + delta_h 0 kJ # Id: 8112110 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + H3AsO3 = Hfo_sH2AsO3 + H2O - log_k 5.41 - delta_h 0 kJ + log_k 5.41 + delta_h 0 kJ # Id: 8110600 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + H3AsO3 = Hfo_wH2AsO3 + H2O - log_k 5.41 - delta_h 0 kJ + log_k 5.41 + delta_h 0 kJ # Id: 8120600 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + H3BO3 = Hfo_sH2BO3 + H2O - log_k 0.62 - delta_h 0 kJ + log_k 0.62 + delta_h 0 kJ # Id: 8110900 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + H3BO3 = Hfo_wH2BO3 + H2O - log_k 0.62 - delta_h 0 kJ + log_k 0.62 + delta_h 0 kJ # Id: 8120900 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: -Hfo_sOH + PO4-3 + 3H+ = Hfo_sH2PO4 + H2O - log_k 31.29 - delta_h 0 kJ +Hfo_sOH + PO4-3 + 3 H+ = Hfo_sH2PO4 + H2O + log_k 31.29 + delta_h 0 kJ # Id: 8115800 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: -Hfo_wOH + PO4-3 + 3H+ = Hfo_wH2PO4 + H2O - log_k 31.29 - delta_h 0 kJ +Hfo_wOH + PO4-3 + 3 H+ = Hfo_wH2PO4 + H2O + log_k 31.29 + delta_h 0 kJ # Id: 8125800 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: -Hfo_sOH + PO4-3 + 2H+ = Hfo_sHPO4- + H2O - log_k 25.39 - delta_h 0 kJ +Hfo_sOH + PO4-3 + 2 H+ = Hfo_sHPO4- + H2O + log_k 25.39 + delta_h 0 kJ # Id: 8115801 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: -Hfo_wOH + PO4-3 + 2H+ = Hfo_wHPO4- + H2O - log_k 25.39 - delta_h 0 kJ +Hfo_wOH + PO4-3 + 2 H+ = Hfo_wHPO4- + H2O + log_k 25.39 + delta_h 0 kJ # Id: 8125801 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + PO4-3 + H+ = Hfo_sPO4-2 + H2O - log_k 17.72 - delta_h 0 kJ + log_k 17.72 + delta_h 0 kJ # Id: 8115802 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + PO4-3 + H+ = Hfo_wPO4-2 + H2O - log_k 17.72 - delta_h 0 kJ + log_k 17.72 + delta_h 0 kJ # Id: 8125802 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + H3AsO4 = Hfo_sH2AsO4 + H2O - log_k 8.61 - delta_h 0 kJ + log_k 8.61 + delta_h 0 kJ # Id: 8110610 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + H3AsO4 = Hfo_wH2AsO4 + H2O - log_k 8.61 - delta_h 0 kJ + log_k 8.61 + delta_h 0 kJ # Id: 8120610 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + H3AsO4 = Hfo_sHAsO4- + H2O + H+ - log_k 2.81 - delta_h 0 kJ + log_k 2.81 + delta_h 0 kJ # Id: 8110611 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + H3AsO4 = Hfo_wHAsO4- + H2O + H+ - log_k 2.81 - delta_h 0 kJ + log_k 2.81 + delta_h 0 kJ # Id: 8120611 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: -Hfo_sOH + H3AsO4 = Hfo_sOHAsO4-3 + 3H+ - log_k -10.12 - delta_h 0 kJ +Hfo_sOH + H3AsO4 = Hfo_sOHAsO4-3 + 3 H+ + log_k -10.12 + delta_h 0 kJ # Id: 8110613 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: -Hfo_wOH + H3AsO4 = Hfo_wOHAsO4-3 + 3H+ - log_k -10.12 - delta_h 0 kJ +Hfo_wOH + H3AsO4 = Hfo_wOHAsO4-3 + 3 H+ + log_k -10.12 + delta_h 0 kJ # Id: 8120613 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: -Hfo_sOH + VO2+ + 2H2O = Hfo_sOHVO4-3 + 4H+ - log_k -16.63 - delta_h 0 kJ +Hfo_sOH + VO2+ + 2 H2O = Hfo_sOHVO4-3 + 4 H+ + log_k -16.63 + delta_h 0 kJ # Id: 8119031 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: -Hfo_wOH + VO2+ + 2H2O = Hfo_wOHVO4-3 + 4H+ - log_k -16.63 - delta_h 0 kJ +Hfo_wOH + VO2+ + 2 H2O = Hfo_wOHVO4-3 + 4 H+ + log_k -16.63 + delta_h 0 kJ # Id: 8129031 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + SO4-2 + H+ = Hfo_sSO4- + H2O - log_k 7.78 - delta_h 0 kJ + log_k 7.78 + delta_h 0 kJ # Id: 8117320 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + SO4-2 + H+ = Hfo_wSO4- + H2O - log_k 7.78 - delta_h 0 kJ + log_k 7.78 + delta_h 0 kJ # Id: 8127320 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + SO4-2 = Hfo_sOHSO4-2 - log_k 0.79 - delta_h 0 kJ + log_k 0.79 + delta_h 0 kJ # Id: 8117321 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + SO4-2 = Hfo_wOHSO4-2 - log_k 0.79 - delta_h 0 kJ + log_k 0.79 + delta_h 0 kJ # Id: 8127321 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + HSeO3- = Hfo_sSeO3- + H2O - log_k 4.29 - delta_h 0 kJ + log_k 4.29 + delta_h 0 kJ # Id: 8117610 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + HSeO3- = Hfo_wSeO3- + H2O - log_k 4.29 - delta_h 0 kJ + log_k 4.29 + delta_h 0 kJ # Id: 8127610 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + HSeO3- = Hfo_sOHSeO3-2 + H+ - log_k -3.23 - delta_h 0 kJ + log_k -3.23 + delta_h 0 kJ # Id: 8117611 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + HSeO3- = Hfo_wOHSeO3-2 + H+ - log_k -3.23 - delta_h 0 kJ + log_k -3.23 + delta_h 0 kJ # Id: 8127611 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + SeO4-2 + H+ = Hfo_sSeO4- + H2O - log_k 7.73 - delta_h 0 kJ + log_k 7.73 + delta_h 0 kJ # Id: 8117620 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + SeO4-2 + H+ = Hfo_wSeO4- + H2O - log_k 7.73 - delta_h 0 kJ + log_k 7.73 + delta_h 0 kJ # Id: 8127620 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + SeO4-2 = Hfo_sOHSeO4-2 - log_k 0.8 - delta_h 0 kJ + log_k 0.8 + delta_h 0 kJ # Id: 8117621 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + SeO4-2 = Hfo_wOHSeO4-2 - log_k 0.8 - delta_h 0 kJ + log_k 0.8 + delta_h 0 kJ # Id: 8127621 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + CrO4-2 + H+ = Hfo_sCrO4- + H2O - log_k 10.85 - delta_h 0 kJ + log_k 10.85 + delta_h 0 kJ # Id: 8112120 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + CrO4-2 + H+ = Hfo_wCrO4- + H2O - log_k 10.85 - delta_h 0 kJ + log_k 10.85 + delta_h 0 kJ # Id: 8122120 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + CrO4-2 = Hfo_sOHCrO4-2 - log_k 3.9 - delta_h 0 kJ + log_k 3.9 + delta_h 0 kJ # Id: 8112121 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + CrO4-2 = Hfo_wOHCrO4-2 - log_k 3.9 - delta_h 0 kJ + log_k 3.9 + delta_h 0 kJ # Id: 8122121 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + MoO4-2 + H+ = Hfo_sMoO4- + H2O - log_k 9.5 - delta_h 0 kJ + log_k 9.5 + delta_h 0 kJ # Id: 8114800 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + MoO4-2 + H+ = Hfo_wMoO4- + H2O - log_k 9.5 - delta_h 0 kJ + log_k 9.5 + delta_h 0 kJ # Id: 8124800 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + MoO4-2 = Hfo_sOHMoO4-2 - log_k 2.4 - delta_h 0 kJ + log_k 2.4 + delta_h 0 kJ # Id: 8114801 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + MoO4-2 = Hfo_wOHMoO4-2 - log_k 2.4 - delta_h 0 kJ + log_k 2.4 + delta_h 0 kJ # Id: 8124801 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: -Hfo_sOH + Sb(OH)6- + H+ = Hfo_sSbO(OH)4 + 2H2O - log_k 8.4 - delta_h 0 kJ +Hfo_sOH + Sb(OH)6- + H+ = Hfo_sSbO(OH)4 + 2 H2O + log_k 8.4 + delta_h 0 kJ # Id: 8117410 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: -Hfo_wOH + Sb(OH)6- + H+ = Hfo_wSbO(OH)4 + 2H2O - log_k 8.4 - delta_h 0 kJ +Hfo_wOH + Sb(OH)6- + H+ = Hfo_wSbO(OH)4 + 2 H2O + log_k 8.4 + delta_h 0 kJ # Id: 8127410 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + Sb(OH)6- = Hfo_sOHSbO(OH)4- + H2O - log_k 1.3 - delta_h 0 kJ + log_k 1.3 + delta_h 0 kJ # Id: 8117411 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + Sb(OH)6- = Hfo_wOHSbO(OH)4- + H2O - log_k 1.3 - delta_h 0 kJ + log_k 1.3 + delta_h 0 kJ # Id: 8127411 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + Cyanide- + H+ = Hfo_sCyanide + H2O - log_k 13 - delta_h 0 kJ + log_k 13 + delta_h 0 kJ # Id: 8111430 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + Cyanide- + H+ = Hfo_wCyanide + H2O - log_k 13 - delta_h 0 kJ + log_k 13 + delta_h 0 kJ # Id: 8121430 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + Cyanide- = Hfo_sOHCyanide- - log_k 5.7 - delta_h 0 kJ + log_k 5.7 + delta_h 0 kJ # Id: 8111431 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + Cyanide- = Hfo_wOHCyanide- - log_k 5.7 - delta_h 0 kJ + log_k 5.7 + delta_h 0 kJ # Id: 8121431 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: END diff --git a/src/phreeqcinwt/databases/phreeqc.dat b/src/phreeqcinwt/databases/phreeqc.dat index 9e69a18..d89cef0 100644 --- a/src/phreeqcinwt/databases/phreeqc.dat +++ b/src/phreeqcinwt/databases/phreeqc.dat @@ -1,1348 +1,1429 @@ -# PHREEQC.DAT for calculating pressure dependence of reactions, with -# molal volumina of aqueous species and of minerals, and -# critical temperatures and pressures of gases used in Peng-Robinson's EOS. +# File 1 = C:\GitPrograms\phreeqc3-1\database\phreeqc.dat, 22/05/2024 19:38, 1948 lines, 55817 bytes, md5=78b3659799b73ddca128328b6ee7533b +# Created 22 May 2024 19:55:37 +# C:\3rdParty\lsp\lsp.exe -f2 -k=asis -ts phreeqc.dat + +# phreeqc.dat for calculating temperature and pressure dependence of reactions, and the specific conductance and viscosity of the solution. Based on: +# diffusion coefficients and molal volumina of aqueous species, solubility and volume of minerals, and critical temperatures and pressures of gases in Peng-Robinson's EOS. # Details are given at the end of this file. SOLUTION_MASTER_SPECIES # -#element species alk gfw_formula element_gfw +#element species alk gfw_formula element_gfw # -H H+ -1.0 H 1.008 -H(0) H2 0 H -H(1) H+ -1.0 0 -E e- 0 0.0 0 -O H2O 0 O 16.0 -O(0) O2 0 O -O(-2) H2O 0 0 -Ca Ca+2 0 Ca 40.08 -Mg Mg+2 0 Mg 24.312 -Na Na+ 0 Na 22.9898 -K K+ 0 K 39.102 -Fe Fe+2 0 Fe 55.847 -Fe(+2) Fe+2 0 Fe -Fe(+3) Fe+3 -2.0 Fe -Mn Mn+2 0 Mn 54.938 -Mn(+2) Mn+2 0 Mn -Mn(+3) Mn+3 0 Mn -Al Al+3 0 Al 26.9815 -Ba Ba+2 0 Ba 137.34 -Sr Sr+2 0 Sr 87.62 -Si H4SiO4 0 SiO2 28.0843 -Cl Cl- 0 Cl 35.453 -C CO3-2 2.0 HCO3 12.0111 -C(+4) CO3-2 2.0 HCO3 -C(-4) CH4 0 CH4 -Alkalinity CO3-2 1.0 Ca0.5(CO3)0.5 50.05 -S SO4-2 0 SO4 32.064 -S(6) SO4-2 0 SO4 -S(-2) HS- 1.0 S -N NO3- 0 N 14.0067 -N(+5) NO3- 0 N -N(+3) NO2- 0 N -N(0) N2 0 N -N(-3) NH4+ 0 N 14.0067 -#Amm AmmH+ 0 AmmH 17.031 -B H3BO3 0 B 10.81 -P PO4-3 2.0 P 30.9738 -F F- 0 F 18.9984 -Li Li+ 0 Li 6.939 -Br Br- 0 Br 79.904 -Zn Zn+2 0 Zn 65.37 -Cd Cd+2 0 Cd 112.4 -Pb Pb+2 0 Pb 207.19 -Cu Cu+2 0 Cu 63.546 -Cu(+2) Cu+2 0 Cu -Cu(+1) Cu+1 0 Cu -# redox-uncoupled gases -Hdg Hdg 0 Hdg 2.016 # H2 gas -Oxg Oxg 0 Oxg 32 # O2 gas -Mtg Mtg 0 Mtg 16.032 # CH4 gas -Sg H2Sg 1.0 H2Sg 34.08 -Ntg Ntg 0 Ntg 28.0134 # N2 gas +H H+ -1 H 1.008 +H(0) H2 0 H +H(1) H+ -1 H +E e- 1 0 0 +O H2O 0 O 16 +O(0) O2 0 O +O(-2) H2O 0 0 +Ca Ca+2 0 Ca 40.08 +Mg Mg+2 0 Mg 24.312 +Na Na+ 0 Na 22.9898 +K K+ 0 K 39.102 +Fe Fe+2 0 Fe 55.847 +Fe(+2) Fe+2 0 Fe +Fe(+3) Fe+3 -2 Fe +Mn Mn+2 0 Mn 54.938 +Mn(+2) Mn+2 0 Mn +Mn(+3) Mn+3 0 Mn +Al Al+3 0 Al 26.9815 +Ba Ba+2 0 Ba 137.34 +Sr Sr+2 0 Sr 87.62 +Si H4SiO4 0 SiO2 28.0843 +Cl Cl- 0 Cl 35.453 +C CO3-2 2 HCO3 12.0111 +C(+4) CO3-2 2 HCO3 +C(-4) CH4 0 CH4 +Alkalinity CO3-2 1 Ca0.5(CO3)0.5 50.05 +S SO4-2 0 SO4 32.064 +S(6) SO4-2 0 SO4 +S(-2) HS- 1 S +N NO3- 0 N 14.0067 +N(+5) NO3- 0 N +N(+3) NO2- 0 N +N(0) N2 0 N +N(-3) NH4+ 0 N 14.0067 +#Amm AmmH+ 0 AmmH 17.031 +B H3BO3 0 B 10.81 +P PO4-3 2 P 30.9738 +F F- 0 F 18.9984 +Li Li+ 0 Li 6.939 +Br Br- 0 Br 79.904 +Zn Zn+2 0 Zn 65.37 +Cd Cd+2 0 Cd 112.4 +Pb Pb+2 0 Pb 207.19 +Cu Cu+2 0 Cu 63.546 +Cu(+2) Cu+2 0 Cu +Cu(+1) Cu+1 0 Cu +# redox-uncoupled gases +Hdg Hdg 0 Hdg 2.016 # H2 gas +Oxg Oxg 0 Oxg 32 # O2 gas +Mtg Mtg 0 Mtg 16.032 # CH4 gas +Sg H2Sg 0 H2Sg 32.064 # H2S gas +Ntg Ntg 0 Ntg 28.0134 # N2 gas SOLUTION_SPECIES H+ = H+ - -gamma 9.0 0 - -dw 9.31e-9 1000 0.46 1e-10 # The dw parameters are defined in ref. 3. -# Dw(TK) = 9.31e-9 * exp(1000 / TK - 1000 / 298.15) * TK * 0.89 / (298.15 * viscos) -# Dw(I) = Dw(TK) * exp(-0.46 * DH_A * |z_H+| * I^0.5 / (1 + DH_B * I^0.5 * 1e-10 / (1 + I^0.75))) + -gamma 9 0 + -viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.57 # for viscosity parameters see ref. 4 + -dw 9.31e-9 838 6.96 -2.285 0.206 24.01 0 +# Dw(25 C) dw_T a a2 visc a3 a_v_dif +# Dw(TK) = 9.31e-9 * exp(838 / TK - 838 / 298.15) * viscos_0_25 / viscos_0_tc +# a = DH ion size, a2 = exponent, visc = viscosity exponent, a3(H+) = 24.01 = new dw calculation from A.D. 2024, a_v_dif = exponent in (viscos_0_tc / viscos)^a_v_dif for tracer diffusion. + +# For SC, Dw(TK) *= (viscos_0_tc / viscos)^visc (visc = 0.206 for H+) +# a3 > 5 or a3 = 0 or not defined ? ka = DH_B * a * (1 + (vm - v0))^a2 * mu^0.5, in Onsager-Falkenhagen eqn. (For H+, the reference ion, vm = v0 = 0, a *= (1 + mu)^a2.) +# a3 = -10 ? ka = DH_B * a * mu^a2 (Define a3 = -10, not used in this database.) (a3 = 24.01 for H+, a flag.) +# -3 < a3 < 4 ? ka = DH_B * a2 * mu^0.5 / (1 + mu^a3), Appelo, 2017: Dw(I) = Dw(TK) * exp(-a * DH_A * z * sqrt_mu / (1 + ka)) (Sr+2 in this database) + +# If a_v_dif <> 0, Dw(TK) *= (viscos_0_tc / viscos)^a_v_dif in TRANSPORT. e- = e- H2O = H2O + -dw 2.299e-9 -254 # H2O + 0.01e- = H2O-0.01; -log_k -9 # aids convergence -Ca+2 = Ca+2 - -gamma 5.0 0.1650 - -dw 0.793e-9 97 3.4 24.6 - -Vm -0.3456 -7.252 6.149 -2.479 1.239 5 1.60 -57.1 -6.12e-3 1 # ref. 1 -Mg+2 = Mg+2 - -gamma 5.5 0.20 - -dw 0.705e-9 111 2.4 13.7 - -Vm -1.410 -8.6 11.13 -2.39 1.332 5.5 1.29 -32.9 -5.86e-3 1 # ref. 1 +Li+ = Li+ + -gamma 6 0 # The apparent volume parameters are defined in ref. 1 & 2 + -Vm -0.419 -0.069 13.16 -2.78 0.416 0 0.296 -12.4 -2.74e-3 1.26 # ref. 2 and Ellis, 1968, J. Chem. Soc. A, 1138 + -viscosity 0.162 -2.45e-2 3.73e-2 9.7e-4 8.1e-4 2.087 # < 10 M LiCl + -dw 1.03e-9 -14 4.03 0.8341 1.679 Na+ = Na+ - -gamma 4.0 0.075 - -gamma 4.08 0.082 # halite solubility - -dw 1.33e-9 122 1.52 3.70 - -Vm 2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.566 # ref. 1 -# for calculating densities (rho) when I > 3... - # -Vm 2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.45 + -gamma 4 0.075 + -gamma 4.08 0.082 # halite solubility + -Vm 2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.566 + # -Vm 2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.45 # for densities (rho) when I > 3. + -viscosity 0.1387 -8.66e-2 1.25e-2 1.45e-2 7.5e-3 1.062 + -dw 1.33e-9 75 3.627 0 0.7037 K+ = K+ - -gamma 3.5 0.015 - -dw 1.96e-9 395 2.5 21 - -Vm 3.322 -1.473 6.534 -2.712 9.06e-2 3.5 0 29.7 0 1 # ref. 1 + -gamma 3.5 0.015 + -Vm 3.322 -1.473 6.534 -2.712 9.06e-2 3.5 0 29.7 0 1 + -viscosity 0.116 -0.191 1.52e-2 1.4e-2 2.59e-2 0.9028 + -dw 1.96e-9 254 3.484 0 0.1964 +Mg+2 = Mg+2 + -gamma 5.5 0.2 + -Vm -1.41 -8.6 11.13 -2.39 1.332 5.5 1.29 -32.9 -5.86e-3 1 + -viscosity 0.426 0 0 1.66e-3 4.32e-3 2.461 + -dw 0.705e-9 -4 5.569 0 1.047 +Ca+2 = Ca+2 + -gamma 5 0.165 + -Vm -0.3456 -7.252 6.149 -2.479 1.239 5 1.6 -57.1 -6.12e-3 1 + -viscosity 0.359 -0.158 4.2e-2 1.5e-3 8.04e-3 2.3 # ref. 4, CaCl2 < 6 M + -dw 0.792e-9 34 5.411 0 1.046 +Sr+2 = Sr+2 + -gamma 5.26 0.121 + -Vm -1.57e-2 -10.15 10.18 -2.36 0.86 5.26 0.859 -27 -4.1e-3 1.97 + -viscosity 0.472 -0.252 5.51e-3 3.67e-3 0 1.876 + -dw 0.794e-9 149 0.805 1.961 1e-9 0.7876 +Ba+2 = Ba+2 + -gamma 5 0 + -gamma 4 0.153 # Barite solubility + -Vm 2.063 -10.06 1.9534 -2.36 0.4218 5 1.58 -12.03 -8.35e-3 1 + -viscosity 0.338 -0.227 1.39e-2 3.07e-2 0 0.768 + -dw 0.848e-9 174 10.53 0 3 Fe+2 = Fe+2 - -gamma 6.0 0 - -dw 0.719e-9 - -Vm -0.3255 -9.687 1.536 -2.379 0.3033 6 -4.21e-2 39.7 0 1 # ref. 1 + -gamma 6 0 + -Vm -0.3255 -9.687 1.536 -2.379 0.3033 6 -4.21e-2 39.7 0 1 + -dw 0.719e-9 Mn+2 = Mn+2 - -gamma 6.0 0 - -dw 0.688e-9 - -Vm -1.10 -8.03 4.08 -2.45 1.4 6 8.07 0 -1.51e-2 0.118 # ref. 2 + -gamma 6 0 + -Vm -1.1 -8.03 4.08 -2.45 1.4 6 8.07 0 -1.51e-2 0.118 + -dw 0.688e-9 Al+3 = Al+3 - -gamma 9.0 0 - -dw 0.559e-9 - -Vm -2.28 -17.1 10.9 -2.07 2.87 9 0 0 5.5e-3 1 # ref. 2 and Barta and Hepler, 1986, Can. J.C. 64, 353. -Ba+2 = Ba+2 - -gamma 5.0 0 - -gamma 4.0 0.153 # Barite solubility - -dw 0.848e-9 46 - -Vm 2.063 -10.06 1.9534 -2.36 0.4218 5 1.58 -12.03 -8.35e-3 1 # ref. 1 -Sr+2 = Sr+2 - -gamma 5.260 0.121 - -dw 0.794e-9 161 - -Vm -1.57e-2 -10.15 10.18 -2.36 0.860 5.26 0.859 -27.0 -4.1e-3 1.97 # ref. 1 + -gamma 9 0 + -Vm -2.28 -17.1 10.9 -2.07 2.87 9 0 0 5.5e-3 1 # ref. 2 and Barta and Hepler, 1986, Can. J.C. 64, 353 + -dw 0.559e-9 H4SiO4 = H4SiO4 - -dw 1.10e-9 - -Vm 10.5 1.7 20 -2.7 0.1291 # supcrt + 2*H2O in a1 + -Vm 10.5 1.7 20 -2.7 0.1291 # supcrt 2*H2O in a1 + -dw 1.1e-9 Cl- = Cl- - -gamma 3.5 0.015 - -gamma 3.63 0.017 # cf. pitzer.dat - -dw 2.03e-9 194 1.6 6.9 - -Vm 4.465 4.801 4.325 -2.847 1.748 0 -0.331 20.16 0 1 # ref. 1 + -gamma 3.5 0.015 + -gamma 3.63 0.017 # cf. pitzer.dat + -Vm 4.465 4.801 4.325 -2.847 1.748 0 -0.331 20.16 0 1 + -viscosity 0 0 0 0 0 0 1 # the reference solute + -dw 2.033e-9 216 3.16 0.2071 0.7432 CO3-2 = CO3-2 - -gamma 5.4 0 - -dw 0.955e-9 0 1.12 2.84 - -Vm 5.95 0 0 -5.67 6.85 0 1.37 106 -0.0343 1 # ref. 1 + -gamma 5.4 0 + -Vm 6.09 -2.78 -0.405 -5.3 5.02 0 0.169 101 -1.38e-2 0.9316 + -viscosity -0.5 0.6521 5.44e-3 1.06e-3 -2.18e-2 1.208 -2.147 + -dw 0.955e-9 -103 2.246 7.13e-2 0.3686 SO4-2 = SO4-2 - -gamma 5.0 -0.04 - -dw 1.07e-9 34 2.08 13.4 - -Vm 8.0 2.3 -46.04 6.245 3.82 0 0 0 0 1 # ref. 1 + -gamma 5 -0.04 + -Vm -7.77 43.17 176 -51.45 3.794 0 42.99 -541 -0.145 0.45 # with analytical_expressions for log K of NaSO4-, KSO4- & MgSO4, 0 - 200 oC + -viscosity -0.3 0.501 2.57e-3 0.195 3.14e-2 2.015 0.605 + -dw 1.07e-9 -114 17 6.02e-2 4.94e-2 NO3- = NO3- - -gamma 3.0 0 - -dw 1.9e-9 184 1.85 3.85 - -Vm 6.32 6.78 0 -3.06 0.346 0 0.93 0 -0.012 1 # ref. 1 -#AmmH+ = AmmH+ -# -gamma 2.5 0 -# -dw 1.98e-9 312 0.95 4.53 -# -Vm 4.837 2.345 5.522 -2.88 1.096 3 -1.456 75.0 7.17e-3 1 # ref. 1 + -gamma 3 0 + -Vm 6.32 6.78 0 -3.06 0.346 0 0.93 0 -0.012 1 + -viscosity 8.37e-2 -0.458 1.54e-2 0.34 1.79e-2 5.02e-2 0.7381 + -dw 1.9e-9 104 1.11 +# AmmH+ = AmmH+ +# -gamma 2.5 0 +# -Vm 5.35 2.345 3.72 -2.88 1.55 2.5 -4.54 217 2.344e-2 0.569 +# -viscosity 9.9e-2 -0.159 1.36e-2 6.51e-3 3.21e-2 0.972 +# -dw 1.98e-9 203 1.47 2.644 6.81e-2 H3BO3 = H3BO3 - -dw 1.1e-9 - -Vm 7.0643 8.8547 3.5844 -3.1451 -.2000 # supcrt + -Vm 7.0643 8.8547 3.5844 -3.1451 -0.2 # supcrt + -dw 1.1e-9 PO4-3 = PO4-3 - -gamma 4.0 0 - -dw 0.612e-9 - -Vm 1.24 -9.07 9.31 -2.4 5.61 0 0 0 -1.41e-2 1 # ref. 2 + -gamma 4 0 + -Vm 1.24 -9.07 9.31 -2.4 5.61 0 0 0 -1.41e-2 1 + -dw 0.612e-9 F- = F- - -gamma 3.5 0 - -dw 1.46e-9 - -Vm 0.928 1.36 6.27 -2.84 1.84 0 0 -0.318 0 1 # ref. 2 -Li+ = Li+ - -gamma 6.0 0 - -dw 1.03e-9 80 - -Vm -0.419 -0.069 13.16 -2.78 0.416 0 0.296 -12.4 -2.74e-3 1.26 # ref. 2 and Ellis, 1968, J. Chem. Soc. A, 1138 + -gamma 3.5 0 + -Vm 0.928 1.36 6.27 -2.84 1.84 0 0 -0.318 0 1 + -viscosity 0 2.85e-2 1.35e-2 6.11e-2 4.38e-3 1.384 0.586 + -dw 1.46e-9 -36 4.352 Br- = Br- - -gamma 3.0 0 - -dw 2.01e-9 258 - -Vm 6.72 2.85 4.21 -3.14 1.38 0 -9.56e-2 7.08 -1.56e-3 1 # ref. 2 + -gamma 3 0 + -Vm 6.72 2.85 4.21 -3.14 1.38 0 -9.56e-2 7.08 -1.56e-3 1 + -viscosity -6.98e-2 -0.141 1.78e-2 0.159 7.76e-3 6.25e-2 0.859 + -dw 2.09e-9 208 3.5 0 0.5737 Zn+2 = Zn+2 - -gamma 5.0 0 - -dw 0.715e-9 - -Vm -1.96 -10.4 14.3 -2.35 1.46 5 -1.43 24 1.67e-2 1.11 # ref. 2 + -gamma 5 0 + -Vm -1.96 -10.4 14.3 -2.35 1.46 5 -1.43 24 1.67e-2 1.11 + -dw 0.715e-9 Cd+2 = Cd+2 - -dw 0.717e-9 - -Vm 1.63 -10.7 1.01 -2.34 1.47 5 0 0 0 1 # ref. 2 + -Vm 1.63 -10.7 1.01 -2.34 1.47 5 0 0 0 1 + -dw 0.717e-9 Pb+2 = Pb+2 - -dw 0.945e-9 - -Vm -.0051 -7.7939 8.8134 -2.4568 1.0788 4.5 # supcrt + -Vm -0.0051 -7.7939 8.8134 -2.4568 1.0788 4.5 # supcrt + -dw 0.945e-9 Cu+2 = Cu+2 - -gamma 6.0 0 - -dw 0.733e-9 - -Vm -1.13 -10.5 7.29 -2.35 1.61 6 9.78e-2 0 3.42e-3 1 # ref. 2 + -gamma 6 0 + -Vm -1.13 -10.5 7.29 -2.35 1.61 6 9.78e-2 0 3.42e-3 1 + -dw 0.733e-9 # redox-uncoupled gases Hdg = Hdg # H2 - -dw 5.13e-9 - -Vm 6.52 0.78 0.12 # supcrt + -Vm 6.52 0.78 0.12 # supcrt + -dw 5.13e-9 Oxg = Oxg # O2 - -dw 2.35e-9 - -Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt + -Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt + -dw 2.35e-9 Mtg = Mtg # CH4 - -dw 1.85e-9 - -Vm 9.01 -1.11 0 -1.85 -1.50 # ref. 1 + Hnedkovsky et al., 1996, JCT 28, 125 + -Vm 9.01 -1.11 0 -1.85 -1.5 # Hnedkovsky et al., 1996, JCT 28, 125 + -dw 1.85e-9 Ntg = Ntg # N2 - -dw 1.96e-9 - -Vm 7 # Pray et al., 1952, IEC 44. 1146 + -Vm 7 # Pray et al., 1952, IEC 44 1146 + -dw 1.96e-9 -90 # Cadogan et al. 2014, JCED 59, 519 H2Sg = H2Sg # H2S - -dw 2.1e-9 - -Vm 1.39 28.3 0 -7.22 -0.59 # ref. 1 + Hnedkovsky et al., 1996, JCT 28, 125 + -Vm 1.39 28.3 0 -7.22 -0.59 # Hnedkovsky et al., 1996, JCT 28, 125 + -dw 2.1e-9 # aqueous species H2O = OH- + H+ - -analytic 293.29227 0.1360833 -10576.913 -123.73158 0 -6.996455e-5 - -gamma 3.5 0 - -dw 5.27e-9 548 0.52 1e-10 - -Vm -9.66 28.5 80.0 -22.9 1.89 0 1.09 0 0 1 # ref. 1 + -analytic 293.29227 0.1360833 -10576.913 -123.73158 0 -6.996455e-5 + -gamma 3.5 0 + -Vm -9.66 28.5 80 -22.9 1.89 0 1.09 0 0 1 + -viscosity -2.26e-2 0.106 2.184e-2 -3.2e-3 0 0.4082 -1.634 # < 5 M Li,Na,KOH + -dw 5.27e-9 478 0.8695 2 H2O = O2 + 4 H+ + 4 e- - -log_k -86.08 + -log_k -86.08 -delta_h 134.79 kcal - -dw 2.35e-9 - -Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt + -Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt + -dw 2.35e-9 2 H+ + 2 e- = H2 - -log_k -3.15 + -log_k -3.15 -delta_h -1.759 kcal - -dw 5.13e-9 - -Vm 6.52 0.78 0.12 # supcrt + -Vm 6.52 0.78 0.12 # supcrt + -dw 5.13e-9 +H+ + Cl- = HCl + -log_k -0.5 + -analytical_expression 0.334 -2.684e-3 1.015 # from Pitzer.dat, up to 15 M HCl, 0 - 50°C + -gamma 0 0.4256 + -viscosity 0.921 -0.765 8.32e-3 8.25e-4 2.53e-3 4.223 CO3-2 + H+ = HCO3- - -log_k 10.329 - -delta_h -3.561 kcal - -analytic 107.8871 0.03252849 -5151.79 -38.92561 563713.9 - -gamma 5.4 0 - -dw 1.18e-9 0 1.43 1e-10 - -Vm 8.472 0 -11.5 0 1.56 0 0 146 3.16e-3 1 # ref. 1 + -log_k 10.329; -delta_h -3.561 kcal + -analytic 107.8871 0.03252849 -5151.79 -38.92561 563713.9 + -gamma 5.4 0 + -Vm 10.26 -2.92 -12.58 -0.241 2.23 0 -5.49 320 2.83e-2 1.144 + -viscosity -0.6 1.366 -1.216e-2 0e-2 3.139e-2 -1.135 1.253 + -dw 1.18e-9 -190 11.386 CO3-2 + 2 H+ = CO2 + H2O - -log_k 16.681 - -delta_h -5.738 kcal - -analytic 464.1965 0.09344813 -26986.16 -165.75951 2248628.9 - -dw 1.92e-9 - -Vm 7.29 0.92 2.07 -1.23 -1.60 # ref. 1 + McBride et al. 2015, JCED 60, 171 -2CO2 = (CO2)2 # activity correction for CO2 solubility at high P, T + -log_k 16.681 + -delta_h -5.738 kcal + -analytic 464.1965 0.09344813 -26986.16 -165.75951 2248628.9 + -Vm 7.29 0.92 2.07 -1.23 -1.6 # McBride et al. 2015, JCED 60, 171 + -gamma 0 0.066 # Rumpf et al. 1994, J. Sol. Chem. 23, 431 + -viscosity 6.8e-3 9.03e-2 3.27e-2 0 0 0 0.18 + -dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519 +2 CO2 = (CO2)2 # activity correction for CO2 solubility at high P, T -log_k -1.8 - -analytical_expression 8.68 -0.0103 -2190 - -Vm 14.58 1.84 4.14 -2.46 -3.20 + -analytical_expression 8.68 -0.0103 -2190 + -Vm 14.58 1.84 4.14 -2.46 -3.2 + -viscosity 1.36e-2 0.1806 3.27e-2 0 0 0 0.36 + -dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519 CO3-2 + 10 H+ + 8 e- = CH4 + 3 H2O - -log_k 41.071 + -log_k 41.071 -delta_h -61.039 kcal - -dw 1.85e-9 - -Vm 9.01 -1.11 0 -1.85 -1.50 # ref. 1 + Hnedkovsky et al., 1996, JCT 28, 125 + -Vm 9.01 -1.11 0 -1.85 -1.5 # Hnedkovsky et al., 1996, JCT 28, 125 + -dw 1.85e-9 SO4-2 + H+ = HSO4- - -log_k 1.988 - -delta_h 3.85 kcal - -analytic -56.889 0.006473 2307.9 19.8858 - -dw 1.33e-9 - -Vm 8.2 9.2590 2.1108 -3.1618 1.1748 0 -0.3 15 0 1 # ref. 1 + -log_k 1.988; -delta_h 3.85 kcal + -analytic -56.889 0.006473 2307.9 19.8858 + -Vm 8.2 9.259 2.1108 -3.1618 1.1748 0 -0.3 15 0 1 + -viscosity 0.5 -6.97e-2 6.07e-2 1e-5 -0.1333 0.4865 0.7987 + -dw 1.22e-9 1000 15 2.861 HS- = S-2 + H+ - -log_k -12.918 - -delta_h 12.1 kcal - -gamma 5.0 0 - -dw 0.731e-9 + -log_k -12.918 + -delta_h 12.1 kcal + -gamma 5 0 + -dw 0.731e-9 SO4-2 + 9 H+ + 8 e- = HS- + 4 H2O - -log_k 33.65 - -delta_h -60.140 kcal - -gamma 3.5 0 - -dw 1.73e-9 - -Vm 5.0119 4.9799 3.4765 -2.9849 1.4410 # supcrt + -log_k 33.65 + -delta_h -60.14 kcal + -gamma 3.5 0 + -Vm 5.0119 4.9799 3.4765 -2.9849 1.441 # supcrt + -dw 1.73e-9 HS- + H+ = H2S - -log_k 6.994 - -delta_h -5.30 kcal - -analytical -11.17 0.02386 3279.0 - -dw 2.1e-9 - -Vm 1.39 28.3 0 -7.22 -0.59 # ref. 1 + Hnedkovsky et al., 1996, JCT 28, 125 -2H2S = (H2S)2 # activity correction for H2S solubility at high P, T - -analytical_expression 10.227 -0.01384 -2200 - -Vm 36.41 -71.95 0 0 2.58 + -log_k 6.994; -delta_h -5.3 kcal + -analytical -11.17 0.02386 3279 + -Vm 1.39 28.3 0 -7.22 -0.59 # Hnedkovsky et al., 1996, JCT 28, 125 + -dw 2.1e-9 +2 H2S = (H2S)2 # activity correction for H2S solubility at high P, T + -analytical_expression 10.227 -0.01384 -2200 + -Vm 36.41 -71.95 0 0 2.58 + -dw 2.1e-9 H2Sg = HSg- + H+ - -log_k -6.994 - -delta_h 5.30 kcal - -analytical_expression 11.17 -0.02386 -3279.0 - -gamma 3.5 0 - -dw 1.73e-9 - -Vm 5.0119 4.9799 3.4765 -2.9849 1.4410 # supcrt -2H2Sg = (H2Sg)2 # activity correction for H2S solubility at high P, T - -analytical_expression 10.227 -0.01384 -2200 - -Vm 36.41 -71.95 0 0 2.58 + -log_k -6.994; -delta_h 5.3 kcal + -analytical_expression 11.17 -0.02386 -3279 + -gamma 3.5 0 + -Vm 5.0119 4.9799 3.4765 -2.9849 1.441 # supcrt + -dw 1.73e-9 +2 H2Sg = (H2Sg)2 # activity correction for H2S solubility at high P, T + -analytical_expression 10.227 -0.01384 -2200 + -Vm 36.41 -71.95 0 0 2.58 + -dw 2.1e-9 NO3- + 2 H+ + 2 e- = NO2- + H2O - -log_k 28.570 - -delta_h -43.760 kcal - -gamma 3.0 0 - -dw 1.91e-9 - -Vm 5.5864 5.8590 3.4472 -3.0212 1.1847 # supcrt + -log_k 28.57 + -delta_h -43.76 kcal + -gamma 3 0 + -Vm 5.5864 5.859 3.4472 -3.0212 1.1847 # supcrt + -dw 1.91e-9 2 NO3- + 12 H+ + 10 e- = N2 + 6 H2O - -log_k 207.08 - -delta_h -312.130 kcal - -dw 1.96e-9 - -Vm 7 # Pray et al., 1952, IEC 44. 1146 + -log_k 207.08 + -delta_h -312.13 kcal + -Vm 7 # Pray et al., 1952, IEC 44 1146 + -dw 1.96e-9 -90 # Cadogan et al. 2014, JCED 59, 519 NO3- + 10 H+ + 8 e- = NH4+ + 3 H2O - -log_k 119.077 - -delta_h -187.055 kcal - -gamma 2.5 0 - -dw 1.98e-9 312 0.95 4.53 - -Vm 4.837 2.345 5.522 -2.88 1.096 3 -1.456 75.0 7.17e-3 1 # ref. 1 - + -log_k 119.077 + -delta_h -187.055 kcal + -gamma 2.5 0 + -Vm 5.35 2.345 3.72 -2.88 1.55 2.5 -4.54 217 2.344e-2 0.569 + -viscosity 9.9e-2 -0.159 1.36e-2 6.51e-3 3.21e-2 0.972 + -dw 1.98e-9 203 1.47 2.644 6.81e-2 +#AmmH+ = Amm + H+ NH4+ = NH3 + H+ - -log_k -9.252 - -delta_h 12.48 kcal - -analytic 0.6322 -0.001225 -2835.76 - -dw 2.28e-9 - -Vm 6.69 2.8 3.58 -2.88 1.43 # ref. 2 -#NO3- + 10 H+ + 8 e- = AmmH+ + 3 H2O -# -log_k 119.077 -# -delta_h -187.055 kcal -# -gamma 2.5 0 -# -Vm 4.837 2.345 5.522 -2.88 1.096 3 -1.456 75.0 7.17e-3 1 # ref. 1 - + -log_k -9.252 + -delta_h 12.48 kcal + -analytic 0.6322 -0.001225 -2835.76 + -Vm 6.69 2.8 3.58 -2.88 1.43 + -viscosity 0.08 0 0 7.82e-3 -0.134 -0.986 + -dw 2.28e-9 #AmmH+ + SO4-2 = AmmHSO4- NH4+ + SO4-2 = NH4SO4- - -log_k 1.11 - -Vm 14.0 0 -35.2 0 0 0 12.3 0 -0.141 1 # ref. 2 + -gamma 2.08 -0.0416 + -log_k 1.211; -delta_h 8.56 kJ + -Vm -8.78 0 -36.09 0 -8.60 0 87.62 0 -0.3123 0.1172 + -viscosity 0 0.116 -8.6e-3 0.159 -9.3e-3 0.522 0.627 + -dw 0.9e-9 100 2.1 2 0 H3BO3 = H2BO3- + H+ - -log_k -9.24 - -delta_h 3.224 kcal + -log_k -9.24 + -delta_h 3.224 kcal H3BO3 + F- = BF(OH)3- - -log_k -0.4 - -delta_h 1.850 kcal + -log_k -0.4 + -delta_h 1.85 kcal H3BO3 + 2 F- + H+ = BF2(OH)2- + H2O - -log_k 7.63 - -delta_h 1.618 kcal + -log_k 7.63 + -delta_h 1.618 kcal H3BO3 + 2 H+ + 3 F- = BF3OH- + 2 H2O - -log_k 13.67 - -delta_h -1.614 kcal + -log_k 13.67 + -delta_h -1.614 kcal H3BO3 + 3 H+ + 4 F- = BF4- + 3 H2O - -log_k 20.28 - -delta_h -1.846 kcal + -log_k 20.28 + -delta_h -1.846 kcal PO4-3 + H+ = HPO4-2 - -log_k 12.346 - -delta_h -3.530 kcal - -gamma 5.0 0 - -dw 0.69e-9 - -Vm 3.52 1.09 8.39 -2.82 3.34 0 0 0 0 1 # ref. 2 + -log_k 12.346 + -delta_h -3.53 kcal + -gamma 5 0 + -dw 0.69e-9 + -Vm 3.52 1.09 8.39 -2.82 3.34 0 0 0 0 1 PO4-3 + 2 H+ = H2PO4- - -log_k 19.553 - -delta_h -4.520 kcal - -gamma 5.4 0 - -dw 0.846e-9 - -Vm 5.58 8.06 12.2 -3.11 1.3 0 0 0 1.62e-2 1 # ref. 2 -PO4-3 + 3H+ = H3PO4 - log_k 21.721 # log_k and delta_h from minteq.v4.dat, NIST46.3 - delta_h -10.1 kJ - -Vm 7.47 12.4 6.29 -3.29 0 # ref. 2 + -log_k 19.553 + -delta_h -4.52 kcal + -gamma 5.4 0 + -Vm 5.58 8.06 12.2 -3.11 1.3 0 0 0 1.62e-2 1 + -dw 0.846e-9 +PO4-3 + 3 H+ = H3PO4 + log_k 21.721 # log_k and delta_h from minteq.v4.dat, NIST46.3 + delta_h -10.1 kJ + -Vm 7.47 12.4 6.29 -3.29 0 H+ + F- = HF - -log_k 3.18 - -delta_h 3.18 kcal - -analytic -2.033 0.012645 429.01 - -Vm 3.4753 .7042 5.4732 -2.8081 -.0007 # supcrt + -log_k 3.18 + -delta_h 3.18 kcal + -analytic -2.033 0.012645 429.01 + -Vm 3.4753 .7042 5.4732 -2.8081 -.0007 # supcrt H+ + 2 F- = HF2- - -log_k 3.76 - -delta_h 4.550 kcal - -Vm 5.2263 4.9797 3.7928 -2.9849 1.2934 # supcrt + -log_k 3.76 + -delta_h 4.55 kcal + -Vm 5.2263 4.9797 3.7928 -2.9849 1.2934 # supcrt Ca+2 + H2O = CaOH+ + H+ - -log_k -12.78 + -log_k -12.78 Ca+2 + CO3-2 = CaCO3 - -log_k 3.224 - -delta_h 3.545 kcal - -analytic -1228.732 -0.299440 35512.75 485.818 - -dw 4.46e-10 # complexes: calc'd with the Pikal formula - -Vm -.2430 -8.3748 9.0417 -2.4328 -.0300 # supcrt + -log_k 3.224; -delta_h 3.545 kcal + -analytic -1228.732 -0.29944 35512.75 485.818 + -dw 4.46e-10 # complexes: calc'd with the Pikal formula + -Vm -.243 -8.3748 9.0417 -2.4328 -.03 # supcrt Ca+2 + CO3-2 + H+ = CaHCO3+ - -log_k 11.435 - -delta_h -0.871 kcal - -analytic 1317.0071 0.34546894 -39916.84 -517.70761 563713.9 - -gamma 6.0 0 + -log_k 10.91; -delta_h 4.38 kcal + -analytic -6.009 3.377e-2 2044 + -gamma 6 0 + -Vm 30.19 .01 5.75 -2.78 .308 5.4 -dw 5.06e-10 - -Vm 3.1911 .0104 5.7459 -2.7794 .3084 5.4 # supcrt Ca+2 + SO4-2 = CaSO4 - -log_k 2.25 - -delta_h 1.325 kcal + -log_k 2.25 + -delta_h 1.325 kcal -dw 4.71e-10 - -Vm 2.7910 -.9666 6.1300 -2.7390 -.0010 # supcrt + -Vm 2.791 -.9666 6.13 -2.739 -.001 # supcrt Ca+2 + HSO4- = CaHSO4+ - -log_k 1.08 + -log_k 1.08 Ca+2 + PO4-3 = CaPO4- - -log_k 6.459 - -delta_h 3.10 kcal - -gamma 5.4 0.0 + -log_k 6.459 + -delta_h 3.1 kcal + -gamma 5.4 0 Ca+2 + HPO4-2 = CaHPO4 - -log_k 2.739 + -log_k 2.739 -delta_h 3.3 kcal Ca+2 + H2PO4- = CaH2PO4+ - -log_k 1.408 + -log_k 1.408 -delta_h 3.4 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 # Ca+2 + F- = CaF+ # -log_k 0.94 # -delta_h 4.120 kcal - # -gamma 5.5 0.0 - # -Vm .9846 -5.3773 7.8635 -2.5567 .6911 5.5 # supcrt + # -gamma 5.5 0.0 + # -Vm .9846 -5.3773 7.8635 -2.5567 .6911 5.5 # supcrt Mg+2 + H2O = MgOH+ + H+ - -log_k -11.44 + -log_k -11.44 -delta_h 15.952 kcal - -gamma 6.5 0 + -gamma 6.5 0 Mg+2 + CO3-2 = MgCO3 - -log_k 2.98 - -delta_h 2.713 kcal - -analytic 0.9910 0.00667 + -log_k 2.98 + -delta_h 2.713 kcal + -analytic 0.991 0.00667 + -Vm -0.5837 -9.2067 9.3687 -2.3984 -.03 # supcrt -dw 4.21e-10 - -Vm -.5837 -9.2067 9.3687 -2.3984 -.0300 # supcrt Mg+2 + H+ + CO3-2 = MgHCO3+ - -log_k 11.399 - -delta_h -2.771 kcal - -analytic 48.6721 0.03252849 -2614.335 -18.00263 563713.9 - -gamma 4.0 0 + -log_k 11.399 + -delta_h -2.771 kcal + -analytic 48.6721 0.03252849 -2614.335 -18.00263 563713.9 + -gamma 4 0 + -Vm 2.7171 -1.1469 6.2008 -2.7316 .5985 4 # supcrt -dw 4.78e-10 - -Vm 2.7171 -1.1469 6.2008 -2.7316 .5985 4 # supcrt Mg+2 + SO4-2 = MgSO4 - -log_k 2.37 - -delta_h 4.550 kcal + -gamma 0 0.2 + -log_k 2.42; -delta_h 19 kJ + -analytical_expression 0 9.64e-3 -136 # mean salt gamma from Pitzer.dat and epsomite/hexahydrite/kieserite solubilities, 0 - 200 oC + -Vm 8.65 -10.21 29.58 -18.6 1.061 + -viscosity 0.318 -5.4e-4 -3.42e-2 0.708 3.7e-3 0.696 -dw 4.45e-10 - -Vm 2.4 -0.97 6.1 -2.74 # est'd +SO4-2 + MgSO4 = Mg(SO4)2-2 + -gamma 7 0.047 + -log_k 0.52; -delta_h -13.6 kJ + -analytical_expression 0 -1.51e-3 0 0 8.604e4 # mean salt gamma from Pitzer.dat and epsomite/hexahydrite/kieserite solubilities, 0 - 200 oC + -Vm -8.14 -62.2 -15.96 3.29 -3.01 0 150 0 0.153 3.79e-2 + -viscosity -0.169 5e-4 -5.69e-2 0.11 2.03e-3 2.027 -1e-3 + -dw 0.845e-9 -200 8 0 0.965 Mg+2 + PO4-3 = MgPO4- - -log_k 6.589 - -delta_h 3.10 kcal - -gamma 5.4 0 + -log_k 6.589 + -delta_h 3.1 kcal + -gamma 5.4 0 Mg+2 + HPO4-2 = MgHPO4 - -log_k 2.87 + -log_k 2.87 -delta_h 3.3 kcal Mg+2 + H2PO4- = MgH2PO4+ - -log_k 1.513 + -log_k 1.513 -delta_h 3.4 kcal - -gamma 5.4 0 + -gamma 5.4 0 Mg+2 + F- = MgF+ - -log_k 1.82 - -delta_h 3.20 kcal - -gamma 4.5 0 - -Vm .6494 -6.1958 8.1852 -2.5229 .9706 4.5 # supcrt -Na+ + OH- = NaOH - -log_k -10 # remove this complex -Na+ + CO3-2 = NaCO3- - -log_k 1.27 - -delta_h 8.91 kcal - -dw 1.2e-9 0 1e-10 1e-10 - -Vm 3.89 -8.23e-4 20 -9.44 3.02 9.05e-3 3.07 0 0.0233 1 # ref. 1 + -log_k 1.82 + -delta_h 3.2 kcal + -gamma 4.5 0 + -Vm .6494 -6.1958 8.1852 -2.5229 .9706 4.5 # supcrt +# Na+ + OH- = NaOH + # -log_k -14.7 # remove this complex Na+ + HCO3- = NaHCO3 - -log_k -0.25 - -delta_h -1 kcal + -log_k -0.06; -delta_h 21 kJ + -gamma 0 0.2 + -Vm 7.95 0 0 0 0.609 + -viscosity -4e-2 -2.717 1.67e-5 -dw 6.73e-10 - -Vm 0.431 # ref. 1 Na+ + SO4-2 = NaSO4- - -log_k 0.7 - -delta_h 1.120 kcal - -gamma 5.4 0 - -dw 1.33e-9 0 0.57 1e-10 - -Vm 1e-5 16.4 -0.0678 -1.05 4.14 0 6.86 0 0.0242 0.53 # ref. 1 + -gamma 5.5 0 + -log_k 0.6; -delta_h -14.4 kJ + -analytical_expression 255.903 0.10057 0 -1.11138e2 -8.5983e5 # mirabilite/thenardite solubilities, 0 - 200 oC + -Vm 1.99 -10.78 21.88 -12.7 1.601 5 32.38 501 1.565e-2 0.2325 + -viscosity 0.2 -5.93e-2 -4e-4 8.46e-3 1.78e-3 2.308 -0.208 + -dw 1.13e-9 -23 8.5 0.392 0.521 Na+ + HPO4-2 = NaHPO4- - -log_k 0.29 - -gamma 5.4 0 - -Vm 5.2 8.1 13 -3 0.9 0 0 1.62e-2 1 # ref. 2 + -log_k 0.29 + -gamma 5.4 0 + -Vm 5.2 8.1 13 -3 0.9 0 0 1.62e-2 1 Na+ + F- = NaF - -log_k -0.24 - -Vm 2.7483 -1.0708 6.1709 -2.7347 -.030 # supcrt + -log_k -0.24 + -Vm 2.7483 -1.0708 6.1709 -2.7347 -.03 # supcrt +K+ + HCO3- = KHCO3 + -log_k -0.35; -delta_h 12 kJ + -gamma 0 9.4e-3 + -Vm 9.48 0 0 0 -0.542 + -viscosity 0.7 -1.289 9e-2 K+ + SO4-2 = KSO4- - -log_k 0.85 - -delta_h 2.250 kcal - -analytical 3.106 0.0 -673.6 - -gamma 5.4 0 - -dw 1.5e-9 0 1e-10 1e10 - -Vm 6.8 7.06 3.0 -2.07 1.1 0 0 0 0 1 # ref. 1 + -gamma 5.4 0.19 + -log_k 0.6; -delta_h -10.4 kJ + -analytical_expression -3.0246 9.986e-3 0 0 1.093e5 # arcanite solubility, 0 - 200 oC + -Vm 13.48 -18.03 61.74 -19.6 2.046 5.4 -17.32 0 0.1522 1.919 + -viscosity -1 1.06 1e-4 -0.464 3.78e-2 0.539 -0.69 + -dw 0.9e-9 63 8.48 0 1.8 K+ + HPO4-2 = KHPO4- - -log_k 0.29 - -gamma 5.4 0 - -Vm 5.4 8.1 19 -3.1 0.7 0 0 0 1.62e-2 1 # ref. 2 + -log_k 0.29 + -gamma 5.4 0 + -Vm 5.4 8.1 19 -3.1 0.7 0 0 0 1.62e-2 1 Fe+2 + H2O = FeOH+ + H+ - -log_k -9.5 - -delta_h 13.20 kcal - -gamma 5.0 0 -Fe+2 + 3H2O = Fe(OH)3- + 3H+ - -log_k -31.0 + -log_k -9.5 + -delta_h 13.2 kcal + -gamma 5 0 +Fe+2 + 3 H2O = Fe(OH)3- + 3 H+ + -log_k -31 -delta_h 30.3 kcal - -gamma 5.0 0 + -gamma 5 0 Fe+2 + Cl- = FeCl+ - -log_k 0.14 + -log_k 0.14 Fe+2 + CO3-2 = FeCO3 - -log_k 4.38 + -log_k 4.38 Fe+2 + HCO3- = FeHCO3+ - -log_k 2.0 + -log_k 2 Fe+2 + SO4-2 = FeSO4 - -log_k 2.25 - -delta_h 3.230 kcal - -Vm -13 0 123 # ref. 2 + -log_k 2.25 + -delta_h 3.23 kcal + -Vm -13 0 123 Fe+2 + HSO4- = FeHSO4+ - -log_k 1.08 -Fe+2 + 2HS- = Fe(HS)2 - -log_k 8.95 -Fe+2 + 3HS- = Fe(HS)3- - -log_k 10.987 + -log_k 1.08 +Fe+2 + 2 HS- = Fe(HS)2 + -log_k 8.95 +Fe+2 + 3 HS- = Fe(HS)3- + -log_k 10.987 Fe+2 + HPO4-2 = FeHPO4 - -log_k 3.6 + -log_k 3.6 Fe+2 + H2PO4- = FeH2PO4+ - -log_k 2.7 - -gamma 5.4 0 + -log_k 2.7 + -gamma 5.4 0 Fe+2 + F- = FeF+ - -log_k 1.0 + -log_k 1 Fe+2 = Fe+3 + e- - -log_k -13.02 - -delta_h 9.680 kcal - -gamma 9.0 0 + -log_k -13.02 + -delta_h 9.68 kcal + -gamma 9 0 Fe+3 + H2O = FeOH+2 + H+ - -log_k -2.19 - -delta_h 10.4 kcal - -gamma 5.0 0 + -log_k -2.19 + -delta_h 10.4 kcal + -gamma 5 0 Fe+3 + 2 H2O = Fe(OH)2+ + 2 H+ - -log_k -5.67 - -delta_h 17.1 kcal - -gamma 5.4 0 + -log_k -5.67 + -delta_h 17.1 kcal + -gamma 5.4 0 Fe+3 + 3 H2O = Fe(OH)3 + 3 H+ - -log_k -12.56 - -delta_h 24.8 kcal + -log_k -12.56 + -delta_h 24.8 kcal Fe+3 + 4 H2O = Fe(OH)4- + 4 H+ - -log_k -21.6 - -delta_h 31.9 kcal - -gamma 5.4 0 -Fe+2 + 2H2O = Fe(OH)2 + 2H+ - -log_k -20.57 - -delta_h 28.565 kcal + -log_k -21.6 + -delta_h 31.9 kcal + -gamma 5.4 0 +Fe+2 + 2 H2O = Fe(OH)2 + 2 H+ + -log_k -20.57 + -delta_h 28.565 kcal 2 Fe+3 + 2 H2O = Fe2(OH)2+4 + 2 H+ - -log_k -2.95 - -delta_h 13.5 kcal + -log_k -2.95 + -delta_h 13.5 kcal 3 Fe+3 + 4 H2O = Fe3(OH)4+5 + 4 H+ - -log_k -6.3 - -delta_h 14.3 kcal + -log_k -6.3 + -delta_h 14.3 kcal Fe+3 + Cl- = FeCl+2 - -log_k 1.48 - -delta_h 5.6 kcal - -gamma 5.0 0 + -log_k 1.48 + -delta_h 5.6 kcal + -gamma 5 0 Fe+3 + 2 Cl- = FeCl2+ - -log_k 2.13 - -gamma 5.0 0 + -log_k 2.13 + -gamma 5 0 Fe+3 + 3 Cl- = FeCl3 - -log_k 1.13 + -log_k 1.13 Fe+3 + SO4-2 = FeSO4+ - -log_k 4.04 - -delta_h 3.91 kcal - -gamma 5.0 0 + -log_k 4.04 + -delta_h 3.91 kcal + -gamma 5 0 Fe+3 + HSO4- = FeHSO4+2 - -log_k 2.48 + -log_k 2.48 Fe+3 + 2 SO4-2 = Fe(SO4)2- - -log_k 5.38 - -delta_h 4.60 kcal + -log_k 5.38 + -delta_h 4.6 kcal Fe+3 + HPO4-2 = FeHPO4+ - -log_k 5.43 - -delta_h 5.76 kcal - -gamma 5.0 0 + -log_k 5.43 + -delta_h 5.76 kcal + -gamma 5 0 Fe+3 + H2PO4- = FeH2PO4+2 - -log_k 5.43 - -gamma 5.4 0 + -log_k 5.43 + -gamma 5.4 0 Fe+3 + F- = FeF+2 - -log_k 6.2 - -delta_h 2.7 kcal - -gamma 5.0 0 + -log_k 6.2 + -delta_h 2.7 kcal + -gamma 5 0 Fe+3 + 2 F- = FeF2+ - -log_k 10.8 - -delta_h 4.8 kcal - -gamma 5.0 0 + -log_k 10.8 + -delta_h 4.8 kcal + -gamma 5 0 Fe+3 + 3 F- = FeF3 - -log_k 14.0 - -delta_h 5.4 kcal + -log_k 14 + -delta_h 5.4 kcal Mn+2 + H2O = MnOH+ + H+ - -log_k -10.59 - -delta_h 14.40 kcal - -gamma 5.0 0 -Mn+2 + 3H2O = Mn(OH)3- + 3H+ - -log_k -34.8 - -gamma 5.0 0 + -log_k -10.59 + -delta_h 14.4 kcal + -gamma 5 0 +Mn+2 + 3 H2O = Mn(OH)3- + 3 H+ + -log_k -34.8 + -gamma 5 0 Mn+2 + Cl- = MnCl+ - -log_k 0.61 - -gamma 5.0 0 - -Vm 7.25 -1.08 -25.8 -2.73 3.99 5 0 0 0 1 # ref. 2 + -log_k 0.61 + -gamma 5 0 + -Vm 7.25 -1.08 -25.8 -2.73 3.99 5 0 0 0 1 Mn+2 + 2 Cl- = MnCl2 - -log_k 0.25 - -Vm 1e-5 0 144 # ref. 2 + -log_k 0.25 + -Vm 1e-5 0 144 Mn+2 + 3 Cl- = MnCl3- - -log_k -0.31 - -gamma 5.0 0 - -Vm 11.8 0 0 0 2.4 0 0 0 3.6e-2 1 # ref. 2 + -log_k -0.31 + -gamma 5 0 + -Vm 11.8 0 0 0 2.4 0 0 0 3.6e-2 1 Mn+2 + CO3-2 = MnCO3 - -log_k 4.9 + -log_k 4.9 Mn+2 + HCO3- = MnHCO3+ - -log_k 1.95 - -gamma 5.0 0 + -log_k 1.95 + -gamma 5 0 Mn+2 + SO4-2 = MnSO4 - -log_k 2.25 - -delta_h 3.370 kcal - -Vm -1.31 -1.83 62.3 -2.7 # ref. 2 + -log_k 2.25 + -delta_h 3.37 kcal + -Vm -1.31 -1.83 62.3 -2.7 Mn+2 + 2 NO3- = Mn(NO3)2 - -log_k 0.6 - -delta_h -0.396 kcal - -Vm 6.16 0 29.4 0 0.9 # ref. 2 + -log_k 0.6 + -delta_h -0.396 kcal + -Vm 6.16 0 29.4 0 0.9 Mn+2 + F- = MnF+ - -log_k 0.84 - -gamma 5.0 0 + -log_k 0.84 + -gamma 5 0 Mn+2 = Mn+3 + e- - -log_k -25.51 - -delta_h 25.80 kcal - -gamma 9.0 0 + -log_k -25.51 + -delta_h 25.8 kcal + -gamma 9 0 Al+3 + H2O = AlOH+2 + H+ - -log_k -5.0 - -delta_h 11.49 kcal - -analytic -38.253 0.0 -656.27 14.327 - -gamma 5.4 0 - -Vm -1.46 -11.4 10.2 -2.31 1.67 5.4 0 0 0 1 # ref. 2 and Barta and Hepler, 1986, Can. J. Chem. 64, 353. + -log_k -5 + -delta_h 11.49 kcal + -analytic -38.253 0 -656.27 14.327 + -gamma 5.4 0 + -Vm -1.46 -11.4 10.2 -2.31 1.67 5.4 0 0 0 1 # Barta and Hepler, 1986, Can. J. Chem. 64, 353 Al+3 + 2 H2O = Al(OH)2+ + 2 H+ - -log_k -10.1 - -delta_h 26.90 kcal - -gamma 5.4 0 - -analytic 88.50 0.0 -9391.6 -27.121 + -log_k -10.1 + -delta_h 26.9 kcal + -gamma 5.4 0 + -analytic 88.5 0 -9391.6 -27.121 Al+3 + 3 H2O = Al(OH)3 + 3 H+ - -log_k -16.9 - -delta_h 39.89 kcal - -analytic 226.374 0.0 -18247.8 -73.597 + -log_k -16.9 + -delta_h 39.89 kcal + -analytic 226.374 0 -18247.8 -73.597 Al+3 + 4 H2O = Al(OH)4- + 4 H+ - -log_k -22.7 - -delta_h 42.30 kcal - -analytic 51.578 0.0 -11168.9 -14.865 - -gamma 4.5 0 + -log_k -22.7 + -delta_h 42.3 kcal + -analytic 51.578 0 -11168.9 -14.865 + -gamma 4.5 0 -dw 1.04e-9 # Mackin & Aller, 1983, GCA 47, 959 Al+3 + SO4-2 = AlSO4+ - -log_k 3.5 + -log_k 3.5 -delta_h 2.29 kcal - -gamma 4.5 0 -Al+3 + 2SO4-2 = Al(SO4)2- - -log_k 5.0 + -gamma 4.5 0 +Al+3 + 2 SO4-2 = Al(SO4)2- + -log_k 5 -delta_h 3.11 kcal - -gamma 4.5 0 + -gamma 4.5 0 Al+3 + HSO4- = AlHSO4+2 - -log_k 0.46 + -log_k 0.46 Al+3 + F- = AlF+2 - -log_k 7.0 - -delta_h 1.060 kcal - -gamma 5.4 0 + -log_k 7 + -delta_h 1.06 kcal + -gamma 5.4 0 Al+3 + 2 F- = AlF2+ - -log_k 12.7 - -delta_h 1.980 kcal - -gamma 5.4 0 + -log_k 12.7 + -delta_h 1.98 kcal + -gamma 5.4 0 Al+3 + 3 F- = AlF3 - -log_k 16.8 - -delta_h 2.160 kcal + -log_k 16.8 + -delta_h 2.16 kcal Al+3 + 4 F- = AlF4- - -log_k 19.4 - -delta_h 2.20 kcal - -gamma 4.5 0 + -log_k 19.4 + -delta_h 2.2 kcal + -gamma 4.5 0 # Al+3 + 5 F- = AlF5-2 - # log_k 20.6 - # delta_h 1.840 kcal + # log_k 20.6 + # delta_h 1.840 kcal # Al+3 + 6 F- = AlF6-3 - # log_k 20.6 + # log_k 20.6 # delta_h -1.670 kcal H4SiO4 = H3SiO4- + H+ - -log_k -9.83 - -delta_h 6.12 kcal - -analytic -302.3724 -0.050698 15669.69 108.18466 -1119669.0 - -gamma 4 0 - -Vm 7.94 1.0881 5.3224 -2.8240 1.4767 # supcrt + H2O in a1 + -log_k -9.83 + -delta_h 6.12 kcal + -analytic -302.3724 -0.050698 15669.69 108.18466 -1119669 + -gamma 4 0 + -Vm 7.94 1.0881 5.3224 -2.824 1.4767 # supcrt + H2O in a1 H4SiO4 = H2SiO4-2 + 2 H+ - -log_k -23.0 - -delta_h 17.6 kcal - -analytic -294.0184 -0.072650 11204.49 108.18466 -1119669.0 - -gamma 5.4 0 + -log_k -23 + -delta_h 17.6 kcal + -analytic -294.0184 -0.07265 11204.49 108.18466 -1119669 + -gamma 5.4 0 H4SiO4 + 4 H+ + 6 F- = SiF6-2 + 4 H2O - -log_k 30.18 - -delta_h -16.260 kcal - -gamma 5.0 0 - -Vm 8.5311 13.0492 .6211 -3.3185 2.7716 # supcrt + -log_k 30.18 + -delta_h -16.26 kcal + -gamma 5 0 + -Vm 8.5311 13.0492 .6211 -3.3185 2.7716 # supcrt Ba+2 + H2O = BaOH+ + H+ - -log_k -13.47 - -gamma 5.0 0 + -log_k -13.47 + -gamma 5 0 Ba+2 + CO3-2 = BaCO3 - -log_k 2.71 - -delta_h 3.55 kcal - -analytic 0.113 0.008721 - -Vm .2907 -7.0717 8.5295 -2.4867 -.0300 # supcrt + -log_k 2.71 + -delta_h 3.55 kcal + -analytic 0.113 0.008721 + -Vm .2907 -7.0717 8.5295 -2.4867 -.03 # supcrt Ba+2 + HCO3- = BaHCO3+ - -log_k 0.982 + -log_k 0.982 -delta_h 5.56 kcal - -analytic -3.0938 0.013669 + -analytic -3.0938 0.013669 Ba+2 + SO4-2 = BaSO4 - -log_k 2.7 + -log_k 2.7 Sr+2 + H2O = SrOH+ + H+ - -log_k -13.29 - -gamma 5.0 0 + -log_k -13.29 + -gamma 5 0 Sr+2 + CO3-2 + H+ = SrHCO3+ - -log_k 11.509 - -delta_h 2.489 kcal - -analytic 104.6391 0.04739549 -5151.79 -38.92561 563713.9 - -gamma 5.4 0 + -log_k 11.509 + -delta_h 2.489 kcal + -analytic 104.6391 0.04739549 -5151.79 -38.92561 563713.9 + -gamma 5.4 0 Sr+2 + CO3-2 = SrCO3 - -log_k 2.81 - -delta_h 5.22 kcal - -analytic -1.019 0.012826 - -Vm -.1787 -8.2177 8.9799 -2.4393 -.0300 # supcrt + -log_k 2.81 + -delta_h 5.22 kcal + -analytic -1.019 0.012826 + -Vm -.1787 -8.2177 8.9799 -2.4393 -.03 # supcrt Sr+2 + SO4-2 = SrSO4 - -log_k 2.29 - -delta_h 2.08 kcal - -Vm 6.7910 -.9666 6.1300 -2.7390 -.0010 # celestite solubility + -log_k 2.29 + -delta_h 2.08 kcal + -Vm 6.791 -.9666 6.13 -2.739 -.001 # celestite solubility Li+ + SO4-2 = LiSO4- - -log_k 0.64 - -gamma 5.0 0 + -log_k 0.64 + -gamma 5 0 Cu+2 + e- = Cu+ - -log_k 2.72 - -delta_h 1.65 kcal - -gamma 2.5 0 -Cu+ + 2Cl- = CuCl2- - -log_k 5.50 + -log_k 2.72 + -delta_h 1.65 kcal + -gamma 2.5 0 +Cu+ + 2 Cl- = CuCl2- + -log_k 5.5 -delta_h -0.42 kcal - -gamma 4.0 0 -Cu+ + 3Cl- = CuCl3-2 - -log_k 5.70 + -gamma 4 0 +Cu+ + 3 Cl- = CuCl3-2 + -log_k 5.7 -delta_h 0.26 kcal - -gamma 5.0 0.0 -Cu+2 + CO3-2 = CuCO3 - -log_k 6.73 -Cu+2 + 2CO3-2 = Cu(CO3)2-2 - -log_k 9.83 + -gamma 5 0 +Cu+2 + CO3-2 = CuCO3 + -log_k 6.73 +Cu+2 + 2 CO3-2 = Cu(CO3)2-2 + -log_k 9.83 Cu+2 + HCO3- = CuHCO3+ - -log_k 2.7 -Cu+2 + Cl- = CuCl+ - -log_k 0.43 + -log_k 2.7 +Cu+2 + Cl- = CuCl+ + -log_k 0.43 -delta_h 8.65 kcal - -gamma 4.0 0 - -Vm -4.19 0 30.4 0 0 4 0 0 1.94e-2 1 # ref. 2 -Cu+2 + 2Cl- = CuCl2 - -log_k 0.16 + -gamma 4 0 + -Vm -4.19 0 30.4 0 0 4 0 0 1.94e-2 1 +Cu+2 + 2 Cl- = CuCl2 + -log_k 0.16 -delta_h 10.56 kcal - -Vm 26.8 0 -136 # ref. 2 -Cu+2 + 3Cl- = CuCl3- - -log_k -2.29 + -Vm 26.8 0 -136 +Cu+2 + 3 Cl- = CuCl3- + -log_k -2.29 -delta_h 13.69 kcal - -gamma 4.0 0 -Cu+2 + 4Cl- = CuCl4-2 - -log_k -4.59 + -gamma 4 0 +Cu+2 + 4 Cl- = CuCl4-2 + -log_k -4.59 -delta_h 17.78 kcal - -gamma 5.0 0 -Cu+2 + F- = CuF+ - -log_k 1.26 + -gamma 5 0 +Cu+2 + F- = CuF+ + -log_k 1.26 -delta_h 1.62 kcal Cu+2 + H2O = CuOH+ + H+ - -log_k -8.0 - -gamma 4.0 0 + -log_k -8 + -gamma 4 0 Cu+2 + 2 H2O = Cu(OH)2 + 2 H+ - -log_k -13.68 + -log_k -13.68 Cu+2 + 3 H2O = Cu(OH)3- + 3 H+ - -log_k -26.9 + -log_k -26.9 Cu+2 + 4 H2O = Cu(OH)4-2 + 4 H+ - -log_k -39.6 -2Cu+2 + 2H2O = Cu2(OH)2+2 + 2H+ - -log_k -10.359 + -log_k -39.6 +2 Cu+2 + 2 H2O = Cu2(OH)2+2 + 2 H+ + -log_k -10.359 -delta_h 17.539 kcal - -analytical 2.497 0.0 -3833.0 + -analytical 2.497 0 -3833 Cu+2 + SO4-2 = CuSO4 - -log_k 2.31 - -delta_h 1.220 kcal - -Vm 5.21 0 -14.6 # ref. 2 -Cu+2 + 3HS- = Cu(HS)3- - -log_k 25.9 + -log_k 2.31 + -delta_h 1.22 kcal + -Vm 5.21 0 -14.6 +Cu+2 + 3 HS- = Cu(HS)3- + -log_k 25.9 Zn+2 + H2O = ZnOH+ + H+ - -log_k -8.96 + -log_k -8.96 -delta_h 13.4 kcal Zn+2 + 2 H2O = Zn(OH)2 + 2 H+ - -log_k -16.9 + -log_k -16.9 Zn+2 + 3 H2O = Zn(OH)3- + 3 H+ - -log_k -28.4 + -log_k -28.4 Zn+2 + 4 H2O = Zn(OH)4-2 + 4 H+ - -log_k -41.2 + -log_k -41.2 Zn+2 + Cl- = ZnCl+ - -log_k 0.43 + -log_k 0.43 -delta_h 7.79 kcal - -gamma 4.0 0 - -Vm 14.8 -3.91 -105.7 -2.62 0.203 4 0 0 -5.05e-2 1 # ref. 2 + -gamma 4 0 + -Vm 14.8 -3.91 -105.7 -2.62 0.203 4 0 0 -5.05e-2 1 Zn+2 + 2 Cl- = ZnCl2 - -log_k 0.45 + -log_k 0.45 -delta_h 8.5 kcal - -Vm -10.1 4.57 241 -2.97 -1e-3 # ref. 2 -Zn+2 + 3Cl- = ZnCl3- - -log_k 0.5 + -Vm -10.1 4.57 241 -2.97 -1e-3 +Zn+2 + 3 Cl- = ZnCl3- + -log_k 0.5 -delta_h 9.56 kcal - -gamma 4.0 0 - -Vm 0.772 15.5 -0.349 -3.42 1.25 0 -7.77 0 0 1 # ref. 2 -Zn+2 + 4Cl- = ZnCl4-2 - -log_k 0.2 + -gamma 4 0 + -Vm 0.772 15.5 -0.349 -3.42 1.25 0 -7.77 0 0 1 +Zn+2 + 4 Cl- = ZnCl4-2 + -log_k 0.2 -delta_h 10.96 kcal - -gamma 5.0 0 - -Vm 28.42 28 -5.26 -3.94 2.67 0 0 0 4.62e-2 1 # ref. 2 -Zn+2 + H2O + Cl- = ZnOHCl + H+ - -log_k -7.48 -Zn+2 + 2HS- = Zn(HS)2 - -log_k 14.94 -Zn+2 + 3HS- = Zn(HS)3- - -log_k 16.1 + -gamma 5 0 + -Vm 28.42 28 -5.26 -3.94 2.67 0 0 0 4.62e-2 1 +Zn+2 + H2O + Cl- = ZnOHCl + H+ + -log_k -7.48 +Zn+2 + 2 HS- = Zn(HS)2 + -log_k 14.94 +Zn+2 + 3 HS- = Zn(HS)3- + -log_k 16.1 Zn+2 + CO3-2 = ZnCO3 - -log_k 5.3 -Zn+2 + 2CO3-2 = Zn(CO3)2-2 - -log_k 9.63 + -log_k 5.3 +Zn+2 + 2 CO3-2 = Zn(CO3)2-2 + -log_k 9.63 Zn+2 + HCO3- = ZnHCO3+ - -log_k 2.1 + -log_k 2.1 Zn+2 + SO4-2 = ZnSO4 - -log_k 2.37 + -log_k 2.37 -delta_h 1.36 kcal - -Vm 2.51 0 18.8 # ref. 2 -Zn+2 + 2SO4-2 = Zn(SO4)2-2 - -log_k 3.28 - -Vm 10.9 0 -98.7 0 0 0 24 0 -0.236 1 # ref. 2 -Zn+2 + Br- = ZnBr+ - -log_k -0.58 -Zn+2 + 2Br- = ZnBr2 - -log_k -0.98 -Zn+2 + F- = ZnF+ - -log_k 1.15 + -Vm 2.51 0 18.8 +Zn+2 + 2 SO4-2 = Zn(SO4)2-2 + -log_k 3.28 + -Vm 10.9 0 -98.7 0 0 0 24 0 -0.236 1 +Zn+2 + Br- = ZnBr+ + -log_k -0.58 +Zn+2 + 2 Br- = ZnBr2 + -log_k -0.98 +Zn+2 + F- = ZnF+ + -log_k 1.15 -delta_h 2.22 kcal Cd+2 + H2O = CdOH+ + H+ - -log_k -10.08 + -log_k -10.08 -delta_h 13.1 kcal Cd+2 + 2 H2O = Cd(OH)2 + 2 H+ - -log_k -20.35 + -log_k -20.35 Cd+2 + 3 H2O = Cd(OH)3- + 3 H+ - -log_k -33.3 + -log_k -33.3 Cd+2 + 4 H2O = Cd(OH)4-2 + 4 H+ - -log_k -47.35 -2Cd+2 + H2O = Cd2OH+3 + H+ - -log_k -9.39 + -log_k -47.35 +2 Cd+2 + H2O = Cd2OH+3 + H+ + -log_k -9.39 -delta_h 10.9 kcal -Cd+2 + H2O + Cl- = CdOHCl + H+ - -log_k -7.404 +Cd+2 + H2O + Cl- = CdOHCl + H+ + -log_k -7.404 -delta_h 4.355 kcal Cd+2 + NO3- = CdNO3+ - -log_k 0.4 + -log_k 0.4 -delta_h -5.2 kcal - -Vm 5.95 0 -1.11 0 2.67 7 0 0 1.53e-2 1 # ref. 2 + -Vm 5.95 0 -1.11 0 2.67 7 0 0 1.53e-2 1 Cd+2 + Cl- = CdCl+ - -log_k 1.98 + -log_k 1.98 -delta_h 0.59 kcal - -Vm 5.69 0 -30.2 0 0 6 0 0 0.112 1 # ref. 2 + -Vm 5.69 0 -30.2 0 0 6 0 0 0.112 1 Cd+2 + 2 Cl- = CdCl2 - -log_k 2.6 + -log_k 2.6 -delta_h 1.24 kcal - -Vm 5.53 # ref. 2 + -Vm 5.53 Cd+2 + 3 Cl- = CdCl3- - -log_k 2.4 + -log_k 2.4 -delta_h 3.9 kcal - -Vm 4.6 0 83.9 0 0 0 0 0 0 1 # ref. 2 + -Vm 4.6 0 83.9 0 0 0 0 0 0 1 Cd+2 + CO3-2 = CdCO3 - -log_k 2.9 -Cd+2 + 2CO3-2 = Cd(CO3)2-2 - -log_k 6.4 + -log_k 2.9 +Cd+2 + 2 CO3-2 = Cd(CO3)2-2 + -log_k 6.4 Cd+2 + HCO3- = CdHCO3+ - -log_k 1.5 + -log_k 1.5 Cd+2 + SO4-2 = CdSO4 - -log_k 2.46 + -log_k 2.46 -delta_h 1.08 kcal - -Vm 10.4 0 57.9 # ref. 2 -Cd+2 + 2SO4-2 = Cd(SO4)2-2 - -log_k 3.5 - -Vm -6.29 0 -93 0 9.5 7 0 0 0 1 # ref. 2 -Cd+2 + Br- = CdBr+ - -log_k 2.17 + -Vm 10.4 0 57.9 +Cd+2 + 2 SO4-2 = Cd(SO4)2-2 + -log_k 3.5 + -Vm -6.29 0 -93 0 9.5 7 0 0 0 1 +Cd+2 + Br- = CdBr+ + -log_k 2.17 -delta_h -0.81 kcal -Cd+2 + 2Br- = CdBr2 - -log_k 2.9 -Cd+2 + F- = CdF+ - -log_k 1.1 -Cd+2 + 2F- = CdF2 - -log_k 1.5 -Cd+2 + HS- = CdHS+ - -log_k 10.17 -Cd+2 + 2HS- = Cd(HS)2 - -log_k 16.53 -Cd+2 + 3HS- = Cd(HS)3- - -log_k 18.71 -Cd+2 + 4HS- = Cd(HS)4-2 - -log_k 20.9 +Cd+2 + 2 Br- = CdBr2 + -log_k 2.9 +Cd+2 + F- = CdF+ + -log_k 1.1 +Cd+2 + 2 F- = CdF2 + -log_k 1.5 +Cd+2 + HS- = CdHS+ + -log_k 10.17 +Cd+2 + 2 HS- = Cd(HS)2 + -log_k 16.53 +Cd+2 + 3 HS- = Cd(HS)3- + -log_k 18.71 +Cd+2 + 4 HS- = Cd(HS)4-2 + -log_k 20.9 Pb+2 + H2O = PbOH+ + H+ - -log_k -7.71 + -log_k -7.71 Pb+2 + 2 H2O = Pb(OH)2 + 2 H+ - -log_k -17.12 + -log_k -17.12 Pb+2 + 3 H2O = Pb(OH)3- + 3 H+ - -log_k -28.06 + -log_k -28.06 Pb+2 + 4 H2O = Pb(OH)4-2 + 4 H+ - -log_k -39.7 + -log_k -39.7 2 Pb+2 + H2O = Pb2OH+3 + H+ - -log_k -6.36 + -log_k -6.36 Pb+2 + Cl- = PbCl+ - -log_k 1.6 + -log_k 1.6 -delta_h 4.38 kcal - -Vm 2.8934 -.7165 6.0316 -2.7494 .1281 6 # supcrt + -Vm 2.8934 -.7165 6.0316 -2.7494 .1281 6 # supcrt Pb+2 + 2 Cl- = PbCl2 - -log_k 1.8 + -log_k 1.8 -delta_h 1.08 kcal - -Vm 6.5402 8.1879 2.5318 -3.1175 -.0300 # supcrt + -Vm 6.5402 8.1879 2.5318 -3.1175 -.03 # supcrt Pb+2 + 3 Cl- = PbCl3- - -log_k 1.7 + -log_k 1.7 -delta_h 2.17 kcal - -Vm 11.0396 19.1743 -1.7863 -3.5717 .7356 # supcrt + -Vm 11.0396 19.1743 -1.7863 -3.5717 .7356 # supcrt Pb+2 + 4 Cl- = PbCl4-2 - -log_k 1.38 + -log_k 1.38 -delta_h 3.53 kcal - -Vm 16.4150 32.2997 -6.9452 -4.1143 2.3118 # supcrt + -Vm 16.415 32.2997 -6.9452 -4.1143 2.3118 # supcrt Pb+2 + CO3-2 = PbCO3 - -log_k 7.24 + -log_k 7.24 Pb+2 + 2 CO3-2 = Pb(CO3)2-2 - -log_k 10.64 + -log_k 10.64 Pb+2 + HCO3- = PbHCO3+ - -log_k 2.9 + -log_k 2.9 Pb+2 + SO4-2 = PbSO4 - -log_k 2.75 + -log_k 2.75 Pb+2 + 2 SO4-2 = Pb(SO4)2-2 - -log_k 3.47 -Pb+2 + 2HS- = Pb(HS)2 - -log_k 15.27 -Pb+2 + 3HS- = Pb(HS)3- - -log_k 16.57 -3Pb+2 + 4H2O = Pb3(OH)4+2 + 4H+ - -log_k -23.88 - -delta_h 26.5 kcal + -log_k 3.47 +Pb+2 + 2 HS- = Pb(HS)2 + -log_k 15.27 +Pb+2 + 3 HS- = Pb(HS)3- + -log_k 16.57 +3 Pb+2 + 4 H2O = Pb3(OH)4+2 + 4 H+ + -log_k -23.88 + -delta_h 26.5 kcal Pb+2 + NO3- = PbNO3+ - -log_k 1.17 -Pb+2 + Br- = PbBr+ - -log_k 1.77 + -log_k 1.17 +Pb+2 + Br- = PbBr+ + -log_k 1.77 -delta_h 2.88 kcal -Pb+2 + 2Br- = PbBr2 - -log_k 1.44 -Pb+2 + F- = PbF+ - -log_k 1.25 -Pb+2 + 2F- = PbF2 - -log_k 2.56 -Pb+2 + 3F- = PbF3- - -log_k 3.42 -Pb+2 + 4F- = PbF4-2 - -log_k 3.1 +Pb+2 + 2 Br- = PbBr2 + -log_k 1.44 +Pb+2 + F- = PbF+ + -log_k 1.25 +Pb+2 + 2 F- = PbF2 + -log_k 2.56 +Pb+2 + 3 F- = PbF3- + -log_k 3.42 +Pb+2 + 4 F- = PbF4-2 + -log_k 3.1 PHASES Calcite CaCO3 = CO3-2 + Ca+2 - -log_k -8.48 + -log_k -8.48 -delta_h -2.297 kcal - -analytic 17.118 -0.046528 -3496 # 0 - 250°C, Ellis, 1959, Plummer and Busenberg, 1982 + -analytic 17.118 -0.046528 -3496 # 0 - 250°C, Ellis, 1959, Plummer and Busenberg, 1982 -Vm 36.9 cm3/mol # MW (100.09 g/mol) / rho (2.71 g/cm3) Aragonite CaCO3 = CO3-2 + Ca+2 - -log_k -8.336 + -log_k -8.336 -delta_h -2.589 kcal - -analytic -171.9773 -0.077993 2903.293 71.595 + -analytic -171.9773 -0.077993 2903.293 71.595 -Vm 34.04 Dolomite CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2 - -log_k -17.09 - -delta_h -9.436 kcal - -analytic 31.283 -0.0898 -6438 # 25°C: Hemingway and Robie, 1994; 50–175°C: Bénézeth et al., 2018, GCA 224, 262-275. + -log_k -17.09 + -delta_h -9.436 kcal + -analytic 31.283 -0.0898 -6438 # 25°C: Hemingway and Robie, 1994; 50–175°C: Bénézeth et al., 2018, GCA 224, 262-275 -Vm 64.5 Siderite FeCO3 = Fe+2 + CO3-2 - -log_k -10.89 - -delta_h -2.480 kcal + -log_k -10.89 + -delta_h -2.48 kcal -Vm 29.2 Rhodochrosite MnCO3 = Mn+2 + CO3-2 - -log_k -11.13 - -delta_h -1.430 kcal + -log_k -11.13 + -delta_h -1.43 kcal -Vm 31.1 Strontianite SrCO3 = Sr+2 + CO3-2 - -log_k -9.271 - -delta_h -0.400 kcal - -analytic 155.0305 0.0 -7239.594 -56.58638 + -log_k -9.271 + -delta_h -0.4 kcal + -analytic 155.0305 0 -7239.594 -56.58638 -Vm 39.69 Witherite BaCO3 = Ba+2 + CO3-2 - -log_k -8.562 - -delta_h 0.703 kcal - -analytic 607.642 0.121098 -20011.25 -236.4948 + -log_k -8.562 + -delta_h 0.703 kcal + -analytic 607.642 0.121098 -20011.25 -236.4948 -Vm 46 Gypsum CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O - -log_k -4.58 + -log_k -4.58 -delta_h -0.109 kcal - -analytic 68.2401 0.0 -3221.51 -25.0627 - -analytical_expression 93.7 5.99E-03 -4e3 -35.019 # better fits the appendix data of Appelo, 2015, AG 55, 62 - -Vm 73.9 # 172.18 / 2.33 (Vm H2O = 13.9 cm3/mol) + -analytic 68.2401 0 -3221.51 -25.0627 + -analytical_expression 93.7 5.99E-3 -4e3 -35.019 # better fits the appendix data of Appelo, 2015, AG 55, 62 + -Vm 73.9 # 172.18 / 2.33 (Vm H2O = 13.9 cm3/mol) Anhydrite CaSO4 = Ca+2 + SO4-2 - -log_k -4.36 - -delta_h -1.710 kcal - -analytic 84.90 0 -3135.12 -31.79 # 50 - 160oC, 1 - 1e3 atm, anhydrite dissolution, Blount and Dickson, 1973, Am. Mineral. 58, 323. + -log_k -4.36 + -delta_h -1.71 kcal + -analytic 84.9 0 -3135.12 -31.79 # 50 - 160oC, 1 - 1e3 atm, anhydrite dissolution, Blount and Dickson, 1973, Am. Mineral. 58, 323 -Vm 46.1 # 136.14 / 2.95 Celestite SrSO4 = Sr+2 + SO4-2 - -log_k -6.63 + -log_k -6.63 -delta_h -4.037 kcal -# -analytic -14805.9622 -2.4660924 756968.533 5436.3588 -40553604.0 - -analytic -7.14 6.11e-3 75 0 0 -1.79e-5 # Howell et al., 1992, JCED 37, 464. +# -analytic -14805.9622 -2.4660924 756968.533 5436.3588 -40553604.0 + -analytic -7.14 6.11e-3 75 0 0 -1.79e-5 # Howell et al., 1992, JCED 37, 464 -Vm 46.4 Barite BaSO4 = Ba+2 + SO4-2 - -log_k -9.97 - -delta_h 6.35 kcal - -analytical_expression -282.43 -8.972e-2 5822 113.08 # Blount 1977; Templeton, 1960 + -log_k -9.97 + -delta_h 6.35 kcal + -analytical_expression -282.43 -8.972e-2 5822 113.08 # Blount 1977; Templeton, 1960 + -Vm 52.9 +Arcanite + K2SO4 = SO4-2 + 2 K+ + log_k -1.776; -delta_h 5 kcal + -analytical_expression 674.142 0.30423 -18037 -280.236 0 -1.44055e-4 # ref. 3 + # Note, the Linke and Seidell data may give subsaturation in other xpt's, SI = -0.06 + -Vm 65.5 +Mirabilite + Na2SO4:10H2O = SO4-2 + 2 Na+ + 10 H2O + -analytical_expression -301.9326 -0.16232 0 141.078 # ref. 3 + Vm 216 +Thenardite + Na2SO4 = 2 Na+ + SO4-2 + -analytical_expression 57.185 8.6024e-2 0 -30.8341 0 -7.6905e-5 # ref. 3 -Vm 52.9 +Epsomite + MgSO4:7H2O = Mg+2 + SO4-2 + 7 H2O + log_k -1.74; -delta_h 10.57 kJ + -analytical_expression -3.59 6.21e-3 + Vm 147 +Hexahydrite + MgSO4:6H2O = Mg+2 + SO4-2 + 6 H2O + log_k -1.57; -delta_h 2.35 kJ + -analytical_expression -1.978 1.38e-3 + Vm 132 +Kieserite + MgSO4:H2O = Mg+2 + SO4-2 + H2O + log_k -1.16; -delta_h 9.22 kJ + -analytical_expression 29.485 -5.07e-2 0 -2.662 -7.95e5 + Vm 53.8 Hydroxyapatite Ca5(PO4)3OH + 4 H+ = H2O + 3 HPO4-2 + 5 Ca+2 - -log_k -3.421 + -log_k -3.421 -delta_h -36.155 kcal -Vm 128.9 Fluorite CaF2 = Ca+2 + 2 F- - -log_k -10.6 - -delta_h 4.69 kcal - -analytic 66.348 0.0 -4298.2 -25.271 + -log_k -10.6 + -delta_h 4.69 kcal + -analytic 66.348 0 -4298.2 -25.271 -Vm 15.7 SiO2(a) SiO2 + 2 H2O = H4SiO4 - -log_k -2.71 - -delta_h 3.340 kcal - -analytic -0.26 0.0 -731.0 + -log_k -2.71 + -delta_h 3.34 kcal + -analytic -0.26 0 -731 Chalcedony SiO2 + 2 H2O = H4SiO4 - -log_k -3.55 - -delta_h 4.720 kcal - -analytic -0.09 0.0 -1032.0 + -log_k -3.55 + -delta_h 4.72 kcal + -analytic -0.09 0 -1032 -Vm 23.1 Quartz SiO2 + 2 H2O = H4SiO4 - -log_k -3.98 - -delta_h 5.990 kcal - -analytic 0.41 0.0 -1309.0 + -log_k -3.98 + -delta_h 5.99 kcal + -analytic 0.41 0 -1309 -Vm 22.67 Gibbsite Al(OH)3 + 3 H+ = Al+3 + 3 H2O - -log_k 8.11 - -delta_h -22.800 kcal + -log_k 8.11 + -delta_h -22.8 kcal -Vm 32.22 Al(OH)3(a) Al(OH)3 + 3 H+ = Al+3 + 3 H2O - -log_k 10.8 - -delta_h -26.500 kcal + -log_k 10.8 + -delta_h -26.5 kcal Kaolinite Al2Si2O5(OH)4 + 6 H+ = H2O + 2 H4SiO4 + 2 Al+3 - -log_k 7.435 - -delta_h -35.300 kcal + -log_k 7.435 + -delta_h -35.3 kcal -Vm 99.35 Albite NaAlSi3O8 + 8 H2O = Na+ + Al(OH)4- + 3 H4SiO4 - -log_k -18.002 + -log_k -18.002 -delta_h 25.896 kcal -Vm 101.31 Anorthite CaAl2Si2O8 + 8 H2O = Ca+2 + 2 Al(OH)4- + 2 H4SiO4 - -log_k -19.714 - -delta_h 11.580 kcal + -log_k -19.714 + -delta_h 11.58 kcal -Vm 105.05 K-feldspar KAlSi3O8 + 8 H2O = K+ + Al(OH)4- + 3 H4SiO4 - -log_k -20.573 - -delta_h 30.820 kcal + -log_k -20.573 + -delta_h 30.82 kcal -Vm 108.15 K-mica KAl3Si3O10(OH)2 + 10 H+ = K+ + 3 Al+3 + 3 H4SiO4 - -log_k 12.703 + -log_k 12.703 -delta_h -59.376 kcal Chlorite(14A) - Mg5Al2Si3O10(OH)8 + 16H+ = 5Mg+2 + 2Al+3 + 3H4SiO4 + 6H2O - -log_k 68.38 + Mg5Al2Si3O10(OH)8 + 16 H+ = 5 Mg+2 + 2 Al+3 + 3 H4SiO4 + 6 H2O + -log_k 68.38 -delta_h -151.494 kcal Ca-Montmorillonite - Ca0.165Al2.33Si3.67O10(OH)2 + 12 H2O = 0.165Ca+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H+ - -log_k -45.027 - -delta_h 58.373 kcal + Ca0.165Al2.33Si3.67O10(OH)2 + 12 H2O = 0.165 Ca+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H+ + -log_k -45.027 + -delta_h 58.373 kcal -Vm 156.16 Talc Mg3Si4O10(OH)2 + 4 H2O + 6 H+ = 3 Mg+2 + 4 H4SiO4 - -log_k 21.399 + -log_k 21.399 -delta_h -46.352 kcal -Vm 68.34 Illite - K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 11.2H2O = 0.6K+ + 0.25Mg+2 + 2.3Al(OH)4- + 3.5H4SiO4 + 1.2H+ - -log_k -40.267 + K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 11.2 H2O = 0.6 K+ + 0.25 Mg+2 + 2.3 Al(OH)4- + 3.5 H4SiO4 + 1.2 H+ + -log_k -40.267 -delta_h 54.684 kcal -Vm 141.48 Chrysotile Mg3Si2O5(OH)4 + 6 H+ = H2O + 2 H4SiO4 + 3 Mg+2 - -log_k 32.2 - -delta_h -46.800 kcal - -analytic 13.248 0.0 10217.1 -6.1894 - -Vm 106.5808 # 277.11/2.60 + -log_k 32.2 + -delta_h -46.8 kcal + -analytic 13.248 0 10217.1 -6.1894 + -Vm 106.5808 # 277.11/2.60 Sepiolite - Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4 - -log_k 15.760 - -delta_h -10.700 kcal + Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5 H2O = 2 Mg+2 + 3 H4SiO4 + -log_k 15.76 + -delta_h -10.7 kcal -Vm 143.765 Sepiolite(d) - Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4 - -log_k 18.66 + Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5 H2O = 2 Mg+2 + 3 H4SiO4 + -log_k 18.66 Hematite Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O - -log_k -4.008 + -log_k -4.008 -delta_h -30.845 kcal -Vm 30.39 Goethite FeOOH + 3 H+ = Fe+3 + 2 H2O - -log_k -1.0 - -delta_h -14.48 kcal + -log_k -1 + -delta_h -14.48 kcal -Vm 20.84 Fe(OH)3(a) Fe(OH)3 + 3 H+ = Fe+3 + 3 H2O - -log_k 4.891 + -log_k 4.891 Pyrite FeS2 + 2 H+ + 2 e- = Fe+2 + 2 HS- - -log_k -18.479 - -delta_h 11.300 kcal + -log_k -18.479 + -delta_h 11.3 kcal -Vm 23.48 FeS(ppt) FeS + H+ = Fe+2 + HS- - -log_k -3.915 + -log_k -3.915 Mackinawite FeS + H+ = Fe+2 + HS- - -log_k -4.648 + -log_k -4.648 -Vm 20.45 Sulfur - S + 2H+ + 2e- = H2S - -log_k 4.882 + S + 2 H+ + 2 e- = H2S + -log_k 4.882 -delta_h -9.5 kcal Vivianite Fe3(PO4)2:8H2O = 3 Fe+2 + 2 PO4-3 + 8 H2O - -log_k -36.0 -Pyrolusite # H2O added for surface calc's + -log_k -36 +Pyrolusite # H2O added for surface calc's MnO2:H2O + 4 H+ + 2 e- = Mn+2 + 3 H2O - -log_k 41.38 - -delta_h -65.110 kcal + -log_k 41.38 + -delta_h -65.11 kcal Hausmannite Mn3O4 + 8 H+ + 2 e- = 3 Mn+2 + 4 H2O - -log_k 61.03 - -delta_h -100.640 kcal + -log_k 61.03 + -delta_h -100.64 kcal Manganite MnOOH + 3 H+ + e- = Mn+2 + 2 H2O - -log_k 25.34 + -log_k 25.34 Pyrochroite Mn(OH)2 + 2 H+ = Mn+2 + 2 H2O - -log_k 15.2 + -log_k 15.2 Halite - NaCl = Cl- + Na+ - log_k 1.570 - -delta_h 1.37 + NaCl = Cl- + Na+ + log_k 1.57 + -delta_h 1.37 #-analytic -713.4616 -.1201241 37302.21 262.4583 -2106915. -Vm 27.1 Sylvite - KCl = K+ + Cl- - log_k 0.900 - -delta_h 8.5 - # -analytic 3.984 0.0 -919.55 + KCl = K+ + Cl- + log_k 0.9 + -delta_h 8.5 + # -analytic 3.984 0.0 -919.55 Vm 37.5 # Gases... CO2(g) CO2 = CO2 - -log_k -1.468 + -log_k -1.468 -delta_h -4.776 kcal - -analytic 10.5624 -2.3547e-2 -3972.8 0 5.8746e5 1.9194e-5 - -T_c 304.2 # critical T, K - -P_c 72.86 # critical P, atm + -analytic 10.5624 -2.3547e-2 -3972.8 0 5.8746e5 1.9194e-5 + -T_c 304.2 # critical T, K + -P_c 72.86 # critical P, atm -Omega 0.225 # acentric factor H2O(g) H2O = H2O - -log_k 1.506; delta_h -44.03 kJ - -T_c 647.3 - -P_c 217.60 - -Omega 0.344 - -analytic -16.5066 -2.0013E-3 2710.7 3.7646 0 2.24E-6 + -log_k 1.506; delta_h -44.03 kJ + -T_c 647.3; -P_c 217.6; -Omega 0.344 + -analytic -16.5066 -2.0013E-3 2710.7 3.7646 0 2.24E-6 O2(g) O2 = O2 - -log_k -2.8983 - -analytic -7.5001 7.8981e-3 0.0 0.0 2.0027e5 - -T_c 154.6; -P_c 49.80; -Omega 0.021 + -log_k -2.8983 + -analytic -7.5001 7.8981e-3 0 0 2.0027e5 + -T_c 154.6; -P_c 49.8; -Omega 0.021 H2(g) H2 = H2 - -log_k -3.1050 - -delta_h -4.184 kJ - -analytic -9.3114 4.6473e-3 -49.335 1.4341 1.2815e5 - -T_c 33.2; -P_c 12.80; -Omega -0.225 + -log_k -3.105 + -delta_h -4.184 kJ + -analytic -9.3114 4.6473e-3 -49.335 1.4341 1.2815e5 + -T_c 33.2; -P_c 12.8; -Omega -0.225 N2(g) N2 = N2 - -log_k -3.1864 - -analytic -58.453 1.818e-3 3199 17.909 -27460 - -T_c 126.2; -P_c 33.50; -Omega 0.039 + -log_k -3.1864 + -analytic -58.453 1.818e-3 3199 17.909 -27460 + -T_c 126.2; -P_c 33.5; -Omega 0.039 H2S(g) - H2S = H+ + HS- - log_k -7.93 - -delta_h 9.1 - -analytic -45.07 -0.02418 0 17.9205 # H2S solubilities, 0 - 300°C, 1 - 987 atm, Jiang et al., 2020, CG 555, 119816 - -T_c 373.2; -P_c 88.20; -Omega 0.1 + H2S = H+ + HS- + log_k -7.93 + -delta_h 9.1 + -analytic -45.07 -0.02418 0 17.9205 # H2S solubilities, 0 - 300°C, 1 - 987 atm, Jiang et al., 2020, CG 555, 119816 + -T_c 373.2; -P_c 88.2; -Omega 0.1 CH4(g) CH4 = CH4 -log_k -2.8 - -analytic 10.44 -7.65e-3 -6669 0 1.014e6 # CH4 solubilities 25 - 100°C - -T_c 190.6 ; -P_c 45.40 ; -Omega 0.008 + -analytic 10.44 -7.65e-3 -6669 0 1.014e6 # CH4 solubilities 25 - 100°C + -T_c 190.6; -P_c 45.4; -Omega 0.008 #Amm(g) # Amm = Amm NH3(g) NH3 = NH3 - -log_k 1.7966 - -analytic -18.758 3.3670e-4 2.5113e3 4.8619 39.192 - -T_c 405.6; -P_c 111.3; -Omega 0.25 + -log_k 1.7966 + -analytic -18.758 3.367e-4 2.5113e3 4.8619 39.192 + -T_c 405.6; -P_c 111.3; -Omega 0.25 # redox-uncoupled gases Oxg(g) Oxg = Oxg - -analytic -7.5001 7.8981e-3 0.0 0.0 2.0027e5 - -T_c 154.6 ; -P_c 49.80 ; -Omega 0.021 + -analytic -7.5001 7.8981e-3 0 0 2.0027e5 + -T_c 154.6; -P_c 49.8; -Omega 0.021 Hdg(g) Hdg = Hdg - -analytic -9.3114 4.6473e-3 -49.335 1.4341 1.2815e5 - -T_c 33.2 ; -P_c 12.80 ; -Omega -0.225 + -analytic -9.3114 4.6473e-3 -49.335 1.4341 1.2815e5 + -T_c 33.2; -P_c 12.8; -Omega -0.225 Ntg(g) Ntg = Ntg - -analytic -58.453 1.81800e-3 3199 17.909 -27460 - T_c 126.2 ; -P_c 33.50 ; -Omega 0.039 + -analytic -58.453 1.818e-3 3199 17.909 -27460 + T_c 126.2; -P_c 33.5; -Omega 0.039 Mtg(g) Mtg = Mtg -log_k -2.8 - -analytic 10.44 -7.65e-3 -6669 0 1.014e6 # CH4 solubilities 25 - 100°C - -T_c 190.6 ; -P_c 45.40 ; -Omega 0.008 + -analytic 10.44 -7.65e-3 -6669 0 1.014e6 # CH4 solubilities 25 - 100°C + -T_c 190.6; -P_c 45.4; -Omega 0.008 H2Sg(g) - H2Sg = H+ + HSg- - log_k -7.93 - -delta_h 9.1 - -analytic -45.07 -0.02418 0 17.9205 # H2S solubilities, 0 - 300°C, 1 - 987 atm, Jiang et al., 2020, CG 555, 119816 - -T_c 373.2 ; -P_c 88.20 ; -Omega 0.1 + H2Sg = H+ + HSg- + log_k -7.93 + -delta_h 9.1 + -analytic -45.07 -0.02418 0 17.9205 # H2S solubilities, 0 - 300°C, 1 - 987 atm, Jiang et al., 2020, CG 555, 119816 + -T_c 373.2; -P_c 88.2; -Omega 0.1 Melanterite FeSO4:7H2O = 7 H2O + Fe+2 + SO4-2 - -log_k -2.209 - -delta_h 4.910 kcal - -analytic 1.447 -0.004153 0.0 0.0 -214949.0 + -log_k -2.209 + -delta_h 4.91 kcal + -analytic 1.447 -0.004153 0 0 -214949 Alunite - KAl3(SO4)2(OH)6 + 6 H+ = K+ + 3 Al+3 + 2 SO4-2 + 6H2O - -log_k -1.4 - -delta_h -50.250 kcal + KAl3(SO4)2(OH)6 + 6 H+ = K+ + 3 Al+3 + 2 SO4-2 + 6 H2O + -log_k -1.4 + -delta_h -50.25 kcal Jarosite-K KFe3(SO4)2(OH)6 + 6 H+ = 3 Fe+3 + 6 H2O + K+ + 2 SO4-2 - -log_k -9.21 - -delta_h -31.280 kcal + -log_k -9.21 + -delta_h -31.28 kcal Zn(OH)2(e) Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O - -log_k 11.5 + -log_k 11.5 Smithsonite ZnCO3 = Zn+2 + CO3-2 - -log_k -10.0 - -delta_h -4.36 kcal + -log_k -10 + -delta_h -4.36 kcal Sphalerite ZnS + H+ = Zn+2 + HS- - -log_k -11.618 - -delta_h 8.250 kcal -Willemite 289 - Zn2SiO4 + 4H+ = 2Zn+2 + H4SiO4 - -log_k 15.33 - -delta_h -33.37 kcal + -log_k -11.618 + -delta_h 8.25 kcal +Willemite 289 + Zn2SiO4 + 4 H+ = 2 Zn+2 + H4SiO4 + -log_k 15.33 + -delta_h -33.37 kcal Cd(OH)2 Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O - -log_k 13.65 -Otavite 315 + -log_k 13.65 +Otavite 315 CdCO3 = Cd+2 + CO3-2 - -log_k -12.1 - -delta_h -0.019 kcal -CdSiO3 328 - CdSiO3 + H2O + 2H+ = Cd+2 + H4SiO4 - -log_k 9.06 - -delta_h -16.63 kcal -CdSO4 329 + -log_k -12.1 + -delta_h -0.019 kcal +CdSiO3 328 + CdSiO3 + H2O + 2 H+ = Cd+2 + H4SiO4 + -log_k 9.06 + -delta_h -16.63 kcal +CdSO4 329 CdSO4 = Cd+2 + SO4-2 - -log_k -0.1 - -delta_h -14.74 kcal -Cerussite 365 + -log_k -0.1 + -delta_h -14.74 kcal +Cerussite 365 PbCO3 = Pb+2 + CO3-2 - -log_k -13.13 - -delta_h 4.86 kcal -Anglesite 384 + -log_k -13.13 + -delta_h 4.86 kcal +Anglesite 384 PbSO4 = Pb+2 + SO4-2 - -log_k -7.79 - -delta_h 2.15 kcal -Pb(OH)2 389 - Pb(OH)2 + 2H+ = Pb+2 + 2H2O - -log_k 8.15 - -delta_h -13.99 kcal - + -log_k -7.79 + -delta_h 2.15 kcal +Pb(OH)2 389 + Pb(OH)2 + 2 H+ = Pb+2 + 2 H2O + -log_k 8.15 + -delta_h -13.99 kcal +GAS_BINARY_PARAMETERS +H2O(g) CO2(g) 0.19 +H2O(g) H2S(g) 0.19 +H2O(g) H2Sg(g) 0.19 +H2O(g) CH4(g) 0.49 +H2O(g) Mtg(g) 0.49 +H2O(g) Methane(g) 0.49 +H2O(g) N2(g) 0.49 +H2O(g) Ntg(g) 0.49 +H2O(g) Ethane(g) 0.49 +H2O(g) Propane(g) 0.55 EXCHANGE_MASTER_SPECIES - X X- + X X- EXCHANGE_SPECIES X- = X- - -log_k 0.0 + -log_k 0 Na+ + X- = NaX - -log_k 0.0 - -gamma 4.08 0.082 + -log_k 0 + -gamma 4.08 0.082 K+ + X- = KX - -log_k 0.7 - -gamma 3.5 0.015 - -delta_h -4.3 # Jardine & Sparks, 1984 + -log_k 0.7 + -gamma 3.5 0.015 + -delta_h -4.3 # Jardine & Sparks, 1984 Li+ + X- = LiX - -log_k -0.08 - -gamma 6.0 0 - -delta_h 1.4 # Merriam & Thomas, 1956 + -log_k -0.08 + -gamma 6 0 + -delta_h 1.4 # Merriam & Thomas, 1956 # !!!!! -# H+ + X- = HX -# -log_k 1.0 -# -gamma 9.0 0 +# H+ + X- = HX +# -log_k 1.0 +# -gamma 9.0 0 # AmmH+ + X- = AmmHX NH4+ + X- = NH4X - -log_k 0.6 - -gamma 2.5 0 - -delta_h -2.4 # Laudelout et al., 1968 - - Ca+2 + 2X- = CaX2 - -log_k 0.8 - -gamma 5.0 0.165 - -delta_h 7.2 # Van Bladel & Gheyl, 1980 - - Mg+2 + 2X- = MgX2 - -log_k 0.6 - -gamma 5.5 0.2 - -delta_h 7.4 # Laudelout et al., 1968 - - Sr+2 + 2X- = SrX2 - -log_k 0.91 - -gamma 5.26 0.121 - -delta_h 5.5 # Laudelout et al., 1968 - - Ba+2 + 2X- = BaX2 - -log_k 0.91 - -gamma 4.0 0.153 - -delta_h 4.5 # Laudelout et al., 1968 - - Mn+2 + 2X- = MnX2 - -log_k 0.52 - -gamma 6.0 0 - - Fe+2 + 2X- = FeX2 - -log_k 0.44 - -gamma 6.0 0 - - Cu+2 + 2X- = CuX2 - -log_k 0.6 - -gamma 6.0 0 - - Zn+2 + 2X- = ZnX2 - -log_k 0.8 - -gamma 5.0 0 - - Cd+2 + 2X- = CdX2 - -log_k 0.8 - -gamma 0.0 0 - - Pb+2 + 2X- = PbX2 - -log_k 1.05 - -gamma 0.0 0 - - Al+3 + 3X- = AlX3 - -log_k 0.41 - -gamma 9.0 0 - - AlOH+2 + 2X- = AlOHX2 - -log_k 0.89 - -gamma 0.0 0 + -log_k 0.6 + -gamma 2.5 0 + -delta_h -2.4 # Laudelout et al., 1968 + + Ca+2 + 2 X- = CaX2 + -log_k 0.8 + -gamma 5 0.165 + -delta_h 7.2 # Van Bladel & Gheyl, 1980 + + Mg+2 + 2 X- = MgX2 + -log_k 0.6 + -gamma 5.5 0.2 + -delta_h 7.4 # Laudelout et al., 1968 + + Sr+2 + 2 X- = SrX2 + -log_k 0.91 + -gamma 5.26 0.121 + -delta_h 5.5 # Laudelout et al., 1968 + + Ba+2 + 2 X- = BaX2 + -log_k 0.91 + -gamma 4 0.153 + -delta_h 4.5 # Laudelout et al., 1968 + + Mn+2 + 2 X- = MnX2 + -log_k 0.52 + -gamma 6 0 + + Fe+2 + 2 X- = FeX2 + -log_k 0.44 + -gamma 6 0 + + Cu+2 + 2 X- = CuX2 + -log_k 0.6 + -gamma 6 0 + + Zn+2 + 2 X- = ZnX2 + -log_k 0.8 + -gamma 5 0 + + Cd+2 + 2 X- = CdX2 + -log_k 0.8 + -gamma 0 0 + + Pb+2 + 2 X- = PbX2 + -log_k 1.05 + -gamma 0 0 + + Al+3 + 3 X- = AlX3 + -log_k 0.41 + -gamma 9 0 + + AlOH+2 + 2 X- = AlOHX2 + -log_k 0.89 + -gamma 0 0 SURFACE_MASTER_SPECIES - Hfo_s Hfo_sOH - Hfo_w Hfo_wOH + Hfo_s Hfo_sOH + Hfo_w Hfo_wOH SURFACE_SPECIES # All surface data from # Dzombak and Morel, 1990 @@ -1353,24 +1434,24 @@ SURFACE_SPECIES # strong binding site--Hfo_s, Hfo_sOH = Hfo_sOH - -log_k 0 + -log_k 0 - Hfo_sOH + H+ = Hfo_sOH2+ - -log_k 7.29 # = pKa1,int + Hfo_sOH + H+ = Hfo_sOH2+ + -log_k 7.29 # = pKa1,int Hfo_sOH = Hfo_sO- + H+ - -log_k -8.93 # = -pKa2,int + -log_k -8.93 # = -pKa2,int # weak binding site--Hfo_w Hfo_wOH = Hfo_wOH - -log_k 0 + -log_k 0 - Hfo_wOH + H+ = Hfo_wOH2+ - -log_k 7.29 # = pKa1,int + Hfo_wOH + H+ = Hfo_wOH2+ + -log_k 7.29 # = pKa1,int Hfo_wOH = Hfo_wO- + H+ - -log_k -8.93 # = -pKa2,int + -log_k -8.93 # = -pKa2,int ############################################### # CATIONS # ############################################### @@ -1379,52 +1460,52 @@ SURFACE_SPECIES # # Calcium Hfo_sOH + Ca+2 = Hfo_sOHCa+2 - -log_k 4.97 + -log_k 4.97 Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+ -log_k -5.85 # Strontium Hfo_sOH + Sr+2 = Hfo_sOHSr+2 - -log_k 5.01 + -log_k 5.01 Hfo_wOH + Sr+2 = Hfo_wOSr+ + H+ -log_k -6.58 - Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2H+ + Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2 H+ -log_k -17.6 # Barium Hfo_sOH + Ba+2 = Hfo_sOHBa+2 - -log_k 5.46 + -log_k 5.46 Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+ - -log_k -7.2 # table 10.5 + -log_k -7.2 # table 10.5 # # Cations from table 10.2 # # Cadmium Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+ - -log_k 0.47 + -log_k 0.47 Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+ - -log_k -2.91 + -log_k -2.91 # Zinc Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+ - -log_k 0.99 + -log_k 0.99 Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+ - -log_k -1.99 + -log_k -1.99 # Copper Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+ - -log_k 2.89 + -log_k 2.89 Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+ - -log_k 0.6 # table 10.5 + -log_k 0.6 # table 10.5 # Lead Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+ - -log_k 4.65 + -log_k 4.65 Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+ - -log_k 0.3 # table 10.5 + -log_k 0.3 # table 10.5 # # Derived constants table 10.5 # @@ -1433,18 +1514,18 @@ SURFACE_SPECIES -log_k -4.6 # Manganese Hfo_sOH + Mn+2 = Hfo_sOMn+ + H+ - -log_k -0.4 # table 10.5 + -log_k -0.4 # table 10.5 Hfo_wOH + Mn+2 = Hfo_wOMn+ + H+ - -log_k -3.5 # table 10.5 + -log_k -3.5 # table 10.5 # Iron, strong site: Appelo, Van der Weiden, Tournassat & Charlet, EST 36, 3096 Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+ - -log_k -0.95 + -log_k -0.95 # Iron, weak site: Liger et al., GCA 63, 2939, re-optimized for D&M Hfo_wOH + Fe+2 = Hfo_wOFe+ + H+ -log_k -2.98 - Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2H+ + Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2 H+ -log_k -11.55 ############################################### # ANIONS # @@ -1453,51 +1534,74 @@ SURFACE_SPECIES # Anions from table 10.6 # # Phosphate - Hfo_wOH + PO4-3 + 3H+ = Hfo_wH2PO4 + H2O - -log_k 31.29 + Hfo_wOH + PO4-3 + 3 H+ = Hfo_wH2PO4 + H2O + -log_k 31.29 - Hfo_wOH + PO4-3 + 2H+ = Hfo_wHPO4- + H2O - -log_k 25.39 + Hfo_wOH + PO4-3 + 2 H+ = Hfo_wHPO4- + H2O + -log_k 25.39 Hfo_wOH + PO4-3 + H+ = Hfo_wPO4-2 + H2O - -log_k 17.72 + -log_k 17.72 # # Anions from table 10.7 # # Borate Hfo_wOH + H3BO3 = Hfo_wH2BO3 + H2O - -log_k 0.62 + -log_k 0.62 # # Anions from table 10.8 # # Sulfate Hfo_wOH + SO4-2 + H+ = Hfo_wSO4- + H2O - -log_k 7.78 + -log_k 7.78 Hfo_wOH + SO4-2 = Hfo_wOHSO4-2 - -log_k 0.79 + -log_k 0.79 # # Derived constants table 10.10 # Hfo_wOH + F- + H+ = Hfo_wF + H2O - -log_k 8.7 + -log_k 8.7 Hfo_wOH + F- = Hfo_wOHF- - -log_k 1.6 + -log_k 1.6 # # Carbonate: Van Geen et al., 1994 reoptimized for D&M model # Hfo_wOH + CO3-2 + H+ = Hfo_wCO3- + H2O - -log_k 12.56 + -log_k 12.56 - Hfo_wOH + CO3-2 + 2H+= Hfo_wHCO3 + H2O - -log_k 20.62 + Hfo_wOH + CO3-2 + 2 H+ = Hfo_wHCO3 + H2O + -log_k 20.62 # # Silicate: Swedlund, P.J. and Webster, J.G., 1999. Water Research 33, 3413-3422. # - Hfo_wOH + H4SiO4 = Hfo_wH3SiO4 + H2O ; log_K 4.28 - Hfo_wOH + H4SiO4 = Hfo_wH2SiO4- + H+ + H2O ; log_K -3.22 - Hfo_wOH + H4SiO4 = Hfo_wHSiO4-2 + 2H+ + H2O ; log_K -11.69 + Hfo_wOH + H4SiO4 = Hfo_wH3SiO4 + H2O ; log_K 4.28 + Hfo_wOH + H4SiO4 = Hfo_wH2SiO4- + H+ + H2O; log_K -3.22 + Hfo_wOH + H4SiO4 = Hfo_wHSiO4-2 + 2 H+ + H2O; log_K -11.69 + +MEAN_GAMMAS +CaCl2 Ca+2 1 Cl- 2 +CaSO4 Ca+2 1 SO4-2 1 +CaCO3 Ca+2 1 CO3-2 1 +Ca(OH)2 Ca+2 1 OH- 2 +MgCl2 Mg+2 1 Cl- 2 +MgSO4 Mg+2 1 SO4-2 1 +MgCO3 Mg+2 1 CO3-2 1 +Mg(OH)2 Mg+2 1 OH- 2 +NaCl Na+ 1 Cl- 1 +Na2SO4 Na+ 2 SO4-2 1 +NaHCO3 Na+ 1 HCO3- 1 +Na2CO3 Na+ 2 CO3-2 1 +NaOH Na+ 1 OH- 1 +KCl K+ 1 Cl- 1 +K2SO4 K+ 2 SO4-2 1 +HCO3 K+ 1 HCO3- 1 +K2CO3 K+ 2 CO3-2 1 +KOH K+ 1 OH- 1 +HCl H+ 1 Cl- 1 +H2SO4 H+ 2 SO4-2 1 +HBr H+ 1 Br- 1 RATES @@ -1507,25 +1611,25 @@ RATES # ####### # Example of quartz kinetic rates block: -# KINETICS -# Quartz -# -m0 158.8 # 90 % Qu -# -parms 0.146 1.5 -# -step 3.1536e8 in 10 -# -tol 1e-12 +# KINETICS +# Quartz +# -m0 158.8 # 90 % Qu +# -parms 0.146 1.5 +# -step 3.1536e8 in 10 +# -tol 1e-12 Quartz -start -1 REM Specific rate k from Rimstidt and Barnes, 1980, GCA 44,1683 -2 REM k = 10^-13.7 mol/m2/s (25 C), Ea = 90 kJ/mol -3 REM sp. rate * parm(2) due to salts (Dove and Rimstidt, MSA Rev. 29, 259) -4 REM PARM(1) = Specific area of Quartz, m^2/mol Quartz -5 REM PARM(2) = salt correction: (1 + 1.5 * c_Na (mM)), < 35 +1 REM Specific rate k from Rimstidt and Barnes, 1980, GCA 44,1683 +2 REM k = 10^-13.7 mol/m2/s (25 C), Ea = 90 kJ/mol +3 REM sp. rate * parm(2) due to salts (Dove and Rimstidt, MSA Rev. 29, 259) +4 REM PARM(1) = Specific area of Quartz, m^2/mol Quartz +5 REM PARM(2) = salt correction: (1 + 1.5 * c_Na (mM)), < 35 10 dif_temp = 1/TK - 1/298 20 pk_w = 13.7 + 4700.4 * dif_temp -40 moles = PARM(1) * M0 * PARM(2) * (M/M0)^0.67 * 10^-pk_w * (1 - SR("Quartz")) -# Integrate... +40 moles = PARM(1) * M0 * PARM(2) * (M/M0)^0.67 * 10^-pk_w * (1 - SR("Quartz")) +# Integrate... 50 SAVE moles * TIME -end @@ -1547,60 +1651,60 @@ Quartz # GFW Kspar 0.278 kg/mol # # Moles of Kspar per liter pore space calculation: -# Mass of rock per liter pore space = 0.7*2.6/0.3 = 6.07 kg rock/L pore space -# Mass of Kspar per liter pore space 6.07x0.1 = 0.607 kg Kspar/L pore space -# Moles of Kspar per liter pore space 0.607/0.278 = 2.18 mol Kspar/L pore space +# Mass of rock per liter pore space = 0.7*2.6/0.3 = 6.07 kg rock/L pore space +# Mass of Kspar per liter pore space 6.07x0.1 = 0.607 kg Kspar/L pore space +# Moles of Kspar per liter pore space 0.607/0.278 = 2.18 mol Kspar/L pore space # # Specific area calculation: -# Volume of sphere 4/3 x pi x r^3 = 5.24e-13 m^3 Kspar/sphere -# Mass of sphere 2600 x 5.24e-13 = 1.36e-9 kg Kspar/sphere -# Moles of Kspar in sphere 1.36e-9/0.278 = 4.90e-9 mol Kspar/sphere -# Surface area of one sphere 4 x pi x r^2 = 3.14e-8 m^2/sphere +# Volume of sphere 4/3 x pi x r^3 = 5.24e-13 m^3 Kspar/sphere +# Mass of sphere 2600 x 5.24e-13 = 1.36e-9 kg Kspar/sphere +# Moles of Kspar in sphere 1.36e-9/0.278 = 4.90e-9 mol Kspar/sphere +# Surface area of one sphere 4 x pi x r^2 = 3.14e-8 m^2/sphere # Specific area of K-feldspar in sphere 3.14e-8/4.90e-9 = 6.41 m^2/mol Kspar # # # Example of KINETICS data block for K-feldspar rate: -# KINETICS 1 -# K-feldspar -# -m0 2.18 # 10% Kspar, 0.1 mm cubes -# -m 2.18 # Moles per L pore space -# -parms 6.41 0.1 # m^2/mol Kspar, fraction adjusts lab rate to field rate -# -time 1.5 year in 40 +# KINETICS 1 +# K-feldspar +# -m0 2.18 # 10% Kspar, 0.1 mm cubes +# -m 2.18 # Moles per L pore space +# -parms 6.41 0.1 # m^2/mol Kspar, fraction adjusts lab rate to field rate +# -time 1.5 year in 40 K-feldspar -start -1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 -2 REM PARM(1) = Specific area of Kspar m^2/mol Kspar -3 REM PARM(2) = Adjusts lab rate to field rate -4 REM temp corr: from A&P, p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) -5 REM K-Feldspar parameters -10 DATA 11.7, 0.5, 4e-6, 0.4, 500e-6, 0.15, 14.5, 0.14, 0.15, 13.1, 0.3 -20 RESTORE 10 -30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH -40 DATA 3500, 2000, 2500, 2000 -50 RESTORE 40 -60 READ e_H, e_H2O, e_OH, e_CO2 -70 pk_CO2 = 13 -80 n_CO2 = 0.6 +1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 +2 REM PARM(1) = Specific area of Kspar m^2/mol Kspar +3 REM PARM(2) = Adjusts lab rate to field rate +4 REM temp corr: from A&P, p. 162: E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) +5 REM K-Feldspar parameters +10 DATA 11.7, 0.5, 4e-6, 0.4, 500e-6, 0.15, 14.5, 0.14, 0.15, 13.1, 0.3 +20 RESTORE 10 +30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH +40 DATA 3500, 2000, 2500, 2000 +50 RESTORE 40 +60 READ e_H, e_H2O, e_OH, e_CO2 +70 pk_CO2 = 13 +80 n_CO2 = 0.6 100 REM Generic rate follows 110 dif_temp = 1/TK - 1/281 -120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2") +120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2") 130 REM rate by H+ -140 pk_H = pk_H + e_H * dif_temp -150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC) +140 pk_H = pk_H + e_H * dif_temp +150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC) 160 REM rate by hydrolysis -170 pk_H2O = pk_H2O + e_H2O * dif_temp +170 pk_H2O = pk_H2O + e_H2O * dif_temp 180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC) 190 REM rate by OH- -200 pk_OH = pk_OH + e_OH * dif_temp -210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH +200 pk_OH = pk_OH + e_OH * dif_temp +210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH 220 REM rate by CO2 -230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp +230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp 240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2 -250 rate = rate_H + rate_H2O + rate_OH + rate_CO2 -260 area = PARM(1) * M0 *(M/M0)^0.67 -270 rate = PARM(2) * area * rate * (1-SR("K-feldspar")) -280 moles = rate * TIME +250 rate = rate_H + rate_H2O + rate_OH + rate_CO2 +260 area = PARM(1) * M0 *(M/M0)^0.67 +270 rate = PARM(2) * area * rate * (1-SR("K-feldspar")) +280 moles = rate * TIME 290 SAVE moles -end @@ -1619,63 +1723,63 @@ K-feldspar # p. 162-163 and 395-399. # # Example of KINETICS data block for Albite rate: -# KINETICS 1 -# Albite -# -m0 0.46 # 2% Albite, 0.1 mm cubes -# -m 0.46 # Moles per L pore space -# -parms 6.04 0.1 # m^2/mol Albite, fraction adjusts lab rate to field rate -# -time 1.5 year in 40 +# KINETICS 1 +# Albite +# -m0 0.46 # 2% Albite, 0.1 mm cubes +# -m 0.46 # Moles per L pore space +# -parms 6.04 0.1 # m^2/mol Albite, fraction adjusts lab rate to field rate +# -time 1.5 year in 40 # # Assume soil is 2% Albite by mass in 1 mm spheres (radius 0.05 mm) # Assume density of rock and Albite is 2600 kg/m^3 = 2.6 kg/L # GFW Albite 0.262 kg/mol # # Moles of Albite per liter pore space calculation: -# Mass of rock per liter pore space = 0.7*2.6/0.3 = 6.07 kg rock/L pore space -# Mass of Albite per liter pore space 6.07x0.02 = 0.121 kg Albite/L pore space -# Moles of Albite per liter pore space 0.607/0.262 = 0.46 mol Albite/L pore space +# Mass of rock per liter pore space = 0.7*2.6/0.3 = 6.07 kg rock/L pore space +# Mass of Albite per liter pore space 6.07x0.02 = 0.121 kg Albite/L pore space +# Moles of Albite per liter pore space 0.607/0.262 = 0.46 mol Albite/L pore space # # Specific area calculation: -# Volume of sphere 4/3 x pi x r^3 = 5.24e-13 m^3 Albite/sphere -# Mass of sphere 2600 x 5.24e-13 = 1.36e-9 kg Albite/sphere -# Moles of Albite in sphere 1.36e-9/0.262 = 5.20e-9 mol Albite/sphere -# Surface area of one sphere 4 x pi x r^2 = 3.14e-8 m^2/sphere -# Specific area of Albite in sphere 3.14e-8/5.20e-9 = 6.04 m^2/mol Albite +# Volume of sphere 4/3 x pi x r^3 = 5.24e-13 m^3 Albite/sphere +# Mass of sphere 2600 x 5.24e-13 = 1.36e-9 kg Albite/sphere +# Moles of Albite in sphere 1.36e-9/0.262 = 5.20e-9 mol Albite/sphere +# Surface area of one sphere 4 x pi x r^2 = 3.14e-8 m^2/sphere +# Specific area of Albite in sphere 3.14e-8/5.20e-9 = 6.04 m^2/mol Albite Albite -start -1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 -2 REM PARM(1) = Specific area of Albite m^2/mol Albite -3 REM PARM(2) = Adjusts lab rate to field rate -4 REM temp corr: from A&P, p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) -5 REM Albite parameters -10 DATA 11.5, 0.5, 4e-6, 0.4, 500e-6, 0.2, 13.7, 0.14, 0.15, 11.8, 0.3 -20 RESTORE 10 -30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH -40 DATA 3500, 2000, 2500, 2000 -50 RESTORE 40 -60 READ e_H, e_H2O, e_OH, e_CO2 -70 pk_CO2 = 13 -80 n_CO2 = 0.6 +1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 +2 REM PARM(1) = Specific area of Albite m^2/mol Albite +3 REM PARM(2) = Adjusts lab rate to field rate +4 REM temp corr: from A&P, p. 162 E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) +5 REM Albite parameters +10 DATA 11.5, 0.5, 4e-6, 0.4, 500e-6, 0.2, 13.7, 0.14, 0.15, 11.8, 0.3 +20 RESTORE 10 +30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH +40 DATA 3500, 2000, 2500, 2000 +50 RESTORE 40 +60 READ e_H, e_H2O, e_OH, e_CO2 +70 pk_CO2 = 13 +80 n_CO2 = 0.6 100 REM Generic rate follows 110 dif_temp = 1/TK - 1/281 -120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2") +120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2") 130 REM rate by H+ -140 pk_H = pk_H + e_H * dif_temp -150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC) +140 pk_H = pk_H + e_H * dif_temp +150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC) 160 REM rate by hydrolysis -170 pk_H2O = pk_H2O + e_H2O * dif_temp +170 pk_H2O = pk_H2O + e_H2O * dif_temp 180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC) 190 REM rate by OH- -200 pk_OH = pk_OH + e_OH * dif_temp -210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH +200 pk_OH = pk_OH + e_OH * dif_temp +210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH 220 REM rate by CO2 -230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp +230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp 240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2 -250 rate = rate_H + rate_H2O + rate_OH + rate_CO2 -260 area = PARM(1) * M0 *(M/M0)^0.67 -270 rate = PARM(2) * area * rate * (1-SR("Albite")) -280 moles = rate * TIME +250 rate = rate_H + rate_H2O + rate_OH + rate_CO2 +260 area = PARM(1) * M0 *(M/M0)^0.67 +270 rate = PARM(2) * area * rate * (1-SR("Albite")) +280 moles = rate * TIME 290 SAVE moles -end @@ -1683,27 +1787,27 @@ Albite #Calcite ######## # Example of KINETICS data block for calcite rate, -# in mmol/cm2/s, Plummer et al., 1978, AJS 278, 179; Appelo et al., AG 13, 257. +# in mmol/cm2/s, Plummer et al., 1978, AJS 278, 179; Appelo et al., AG 13, 257 # KINETICS 1 # Calcite # -tol 1e-8 # -m0 3.e-3 -# -m 3.e-3 +# -m 3.e-3 # -parms 1.67e5 0.6 # cm^2/mol calcite, exp factor # -time 1 day Calcite -start -1 REM PARM(1) = specific surface area of calcite, cm^2/mol calcite -2 REM PARM(2) = exponent for M/M0 - -10 si_cc = SI("Calcite") -20 IF (M <= 0 and si_cc < 0) THEN GOTO 200 -30 k1 = 10^(0.198 - 444.0 / TK ) -40 k2 = 10^(2.84 - 2177.0 /TK ) -50 IF TC <= 25 THEN k3 = 10^(-5.86 - 317.0 / TK) -60 IF TC > 25 THEN k3 = 10^(-1.1 - 1737.0 / TK ) -80 IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M +1 REM PARM(1) = specific surface area of calcite, cm^2/mol calcite +2 REM PARM(2) = exponent for M/M0 + +10 si_cc = SI("Calcite") +20 IF (M <= 0 and si_cc < 0) THEN GOTO 200 +30 k1 = 10^(0.198 - 444 / TK ) +40 k2 = 10^(2.84 - 2177 /TK ) +50 IF TC <= 25 THEN k3 = 10^(-5.86 - 317 / TK) +60 IF TC > 25 THEN k3 = 10^(-1.1 - 1737 / TK ) +80 IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M 110 rate = area * (k1 * ACT("H+") + k2 * ACT("CO2") + k3 * ACT("H2O")) 120 rate = rate * (1 - 10^(2/3*si_cc)) 130 moles = rate * 0.001 * TIME # convert from mmol to mol @@ -1719,27 +1823,27 @@ Calcite # rate equation is mol m^-2 s^-1. # # Example of KINETICS data block for pyrite rate: -# KINETICS 1 -# Pyrite -# -tol 1e-8 -# -m0 5.e-4 -# -m 5.e-4 -# -parms 0.3 0.67 .5 -0.11 -# -time 1 day in 10 +# KINETICS 1 +# Pyrite +# -tol 1e-8 +# -m0 5.e-4 +# -m 5.e-4 +# -parms 0.3 0.67 .5 -0.11 +# -time 1 day in 10 Pyrite -start -1 REM Williamson and Rimstidt, 1994 -2 REM PARM(1) = log10(specific area), log10(m^2 per mole pyrite) -3 REM PARM(2) = exp for (M/M0) -4 REM PARM(3) = exp for O2 -5 REM PARM(4) = exp for H+ - -10 REM Dissolution in presence of DO -20 if (M <= 0) THEN GOTO 200 -30 if (SI("Pyrite") >= 0) THEN GOTO 200 -40 log_rate = -8.19 + PARM(3)*LM("O2") + PARM(4)*LM("H+") -50 log_area = PARM(1) + LOG10(M0) + PARM(2)*LOG10(M/M0) -60 moles = 10^(log_area + log_rate) * TIME +1 REM Williamson and Rimstidt, 1994 +2 REM PARM(1) = log10(specific area), log10(m^2 per mole pyrite) +3 REM PARM(2) = exp for (M/M0) +4 REM PARM(3) = exp for O2 +5 REM PARM(4) = exp for H+ + +10 REM Dissolution in presence of DO +20 if (M <= 0) THEN GOTO 200 +30 if (SI("Pyrite") >= 0) THEN GOTO 200 +40 log_rate = -8.19 + PARM(3)*LM("O2") + PARM(4)*LM("H+") +50 log_area = PARM(1) + LOG10(M0) + PARM(2)*LOG10(M/M0) +60 moles = 10^(log_area + log_rate) * TIME 200 SAVE moles -end @@ -1748,27 +1852,27 @@ Pyrite ########## # # Example of KINETICS data block for SOC (sediment organic carbon): -# KINETICS 1 -# Organic_C -# -formula C -# -tol 1e-8 -# -m 5e-3 # SOC in mol -# -time 30 year in 15 +# KINETICS 1 +# Organic_C +# -formula C +# -tol 1e-8 +# -m 5e-3 # SOC in mol +# -time 30 year in 15 Organic_C -start -1 REM Additive Monod kinetics for SOC (sediment organic carbon) -2 REM Electron acceptors: O2, NO3, and SO4 - -10 if (M <= 0) THEN GOTO 200 -20 mO2 = MOL("O2") -30 mNO3 = TOT("N(5)") -40 mSO4 = TOT("S(6)") -50 k_O2 = 1.57e-9 # 1/sec -60 k_NO3 = 1.67e-11 # 1/sec -70 k_SO4 = 1.e-13 # 1/sec -80 rate = k_O2 * mO2/(2.94e-4 + mO2) -90 rate = rate + k_NO3 * mNO3/(1.55e-4 + mNO3) -100 rate = rate + k_SO4 * mSO4/(1.e-4 + mSO4) +1 REM Additive Monod kinetics for SOC (sediment organic carbon) +2 REM Electron acceptors: O2, NO3, and SO4 + +10 if (M <= 0) THEN GOTO 200 +20 mO2 = MOL("O2") +30 mNO3 = TOT("N(5)") +40 mSO4 = TOT("S(6)") +50 k_O2 = 1.57e-9 # 1/sec +60 k_NO3 = 1.67e-11 # 1/sec +70 k_SO4 = 1.e-13 # 1/sec +80 rate = k_O2 * mO2/(2.94e-4 + mO2) +90 rate = rate + k_NO3 * mNO3/(1.55e-4 + mNO3) +100 rate = rate + k_SO4 * mSO4/(1.e-4 + mSO4) 110 moles = rate * M * (M/M0) * TIME 200 SAVE moles -end @@ -1781,72 +1885,87 @@ Organic_C # Rate equation given as mol L^-1 s^-1 # # Example of KINETICS data block for Pyrolusite -# KINETICS 1-12 -# Pyrolusite -# -tol 1.e-7 -# -m0 0.1 -# -m 0.1 -# -time 0.5 day in 10 +# KINETICS 1-12 +# Pyrolusite +# -tol 1.e-7 +# -m0 0.1 +# -m 0.1 +# -time 0.5 day in 10 Pyrolusite -start -10 if (M <= 0) THEN GOTO 200 -20 sr_pl = SR("Pyrolusite") -30 if (sr_pl > 1) THEN GOTO 100 -40 REM sr_pl <= 1, undersaturated -50 Fe_t = TOT("Fe(2)") -60 if Fe_t < 1e-8 then goto 200 -70 moles = 6.98e-5 * Fe_t * (M/M0)^0.67 * TIME * (1 - sr_pl) -80 GOTO 200 +10 if (M <= 0) THEN GOTO 200 +20 sr_pl = SR("Pyrolusite") +30 if (sr_pl > 1) THEN GOTO 100 +40 REM sr_pl <= 1, undersaturated +50 Fe_t = TOT("Fe(2)") +60 if Fe_t < 1e-8 then goto 200 +70 moles = 6.98e-5 * Fe_t * (M/M0)^0.67 * TIME * (1 - sr_pl) +80 GOTO 200 100 REM sr_pl > 1, supersaturated 110 moles = 2e-3 * 6.98e-5 * (1 - sr_pl) * TIME 200 SAVE moles * SOLN_VOL -end + END # ============================================================================================= -#(a) means amorphous. (d) means disordered, or less crystalline. -#(14A) refers to 14 angstrom spacing of clay planes. FeS(ppt), -#precipitated, indicates an initial precipitate that is less crystalline. +#(a) means amorphous. (d) means disordered, or less crystalline. +#(14A) refers to 14 angstrom spacing of clay planes. FeS(ppt), +#precipitated, indicates an initial precipitate that is less crystalline. #Zn(OH)2(e) indicates a specific crystal form, epsilon. -# ============================================================================================= +# ============================================================================================= # For the reaction aA + bB = cC + dD, # with delta_v = c*Vm(C) + d*Vm(D) - a*Vm(A) - b*Vm(B), # PHREEQC adds the pressure term to log_k: -= delta_v * (P - 1) / (2.3RT). # Vm(A) is volume of A, cm3/mol, P is pressure, atm, R is the gas constant, T is Kelvin. # Gas-pressures and fugacity coefficients are calculated with Peng-Robinson's EOS. -# Binary interaction coefficients from Soreide and Whitson, 1992, FPE 77, 217 are +# These binary interaction coefficients from Soreide and Whitson, 1992, FPE 77, 217 are # hard-coded in calc_PR(): # kij CH4 CO2 H2S N2 # H2O 0.49 0.19 0.19 0.49 +# but are overwritten by the data block GAS_BINARY_PARAMETERS of this file. # ============================================================================================= # The molar volumes of solids are entered with -# -Vm vm cm3/mol +# -Vm vm cm3/mol # vm is the molar volume, cm3/mol (default), but dm3/mol and m3/mol are permitted. # Data for minerals' vm (= MW (g/mol) / rho (g/cm3)) are defined using rho from # Deer, Howie and Zussman, The rock-forming minerals, Longman. -# -------------------- +# -------------------- # Temperature- and pressure-dependent volumina of aqueous species are calculated with a Redlich- -# type equation (cf. Redlich and Meyer, Chem. Rev. 64, 221), from parameters entered with -# -Vm a1 a2 a3 a4 W a0 i1 i2 i3 i4 +# type equation (cf. Redlich and Meyer, Chem. Rev. 64, 221), from parameters entered with +# -Vm a1 a2 a3 a4 W a0 i1 i2 i3 i4 # The volume (cm3/mol) is # Vm(T, pb, I) = 41.84 * (a1 * 0.1 + a2 * 100 / (2600 + pb) + a3 / (T - 228) + -# a4 * 1e4 / (2600 + pb) / (T - 228) - W * QBrn) -# + z^2 / 2 * Av * f(I^0.5) -# + (i1 + i2 / (T - 228) + i3 * (T - 228)) * I^i4 +# a4 * 1e4 / (2600 + pb) / (T - 228) - W * QBrn) +# + z^2 / 2 * Av * f(I^0.5) +# + (i1 + i2 / (T - 228) + i3 * (T - 228)) * I^i4 # Volumina at I = 0 are obtained using supcrt92 formulas (Johnson et al., 1992, CG 18, 899). # 41.84 transforms cal/bar/mol into cm3/mol. # pb is pressure in bar. # W * QBrn is the energy of solvation, calculated from W and the pressure dependence of the Born equation, -# W is fitted on measured solution densities. +# W is fitted on measured solution densities. # z is charge of the solute species. -# Av is the Debye-Hückel limiting slope (DH_AV in PHREEQC basic). -# a0 is the ion-size parameter in the extended Debye-Hückel equation: -# f(I^0.5) = I^0.5 / (1 + a0 * DH_B * I^0.5), -# a0 = -gamma x for cations, = 0 for anions. +# Av is the Debye-Hückel limiting slope (DH_AV in PHREEQC basic). +# a0 is the ion-size parameter in the extended Debye-Hückel equation: +# f(I^0.5) = I^0.5 / (1 + a0 * DH_B * I^0.5), +# a0 = -gamma x for cations, = 0 for anions. # For details, consult ref. 1. +# ============================================================================================= +# The viscosity is calculated with a (modified) Jones-Dole equation: +# viscos / viscos_0 = 1 + A * Sum(0.5 z_i m_i) + fan * Sum(B_i m_i + D_i m_i n_i) +# Parameters are for calculating the B and D terms: +# -viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.570 0 +# # b0 b1 b2 d1 d2 d3 tan +# z_i is absolute charge number, m_i is molality of i +# B_i = b0 + b1 exp(-b2 * tc) +# fan = (2 - tan V_i / V_Cl-), corrects for the volume of anions +# D_i = d1 * exp(-d2 tc) +# n_i = (I^d3 * (1 + fI) + ((z_i^2 + z_i) / 2 · m_i)^d3) / (2 + fI), fI is an ionic strength term. +# For details, consult ref. 4. # -# ref. 1: Appelo, Parkhurst and Post, 2014. Geochim. Cosmochim. Acta 125, 49–67. -# ref. 2: Procedures from ref. 1 using data compiled by Laliberté, 2009, J. Chem. Eng. Data 54, 1725. +# ref. 1: Appelo, Parkhurst and Post, 2014. Geochim. Cosmochim. Acta 125, 49–67. +# ref. 2: Procedures from ref. 1 using data compiled by Laliberté, 2009, J. Chem. Eng. Data 54, 1725. # ref. 3: Appelo, 2017, Cem. Concr. Res. 101, 102-113. +# ref. 4: Appelo and Parkhurst in prep., for details see subroutine viscosity in transport.cpp # # ============================================================================================= # It remains the responsibility of the user to check the calculated results, for example with diff --git a/src/phreeqcinwt/databases/pitzer.dat b/src/phreeqcinwt/databases/pitzer.dat index 138b78c..d18b802 100644 --- a/src/phreeqcinwt/databases/pitzer.dat +++ b/src/phreeqcinwt/databases/pitzer.dat @@ -1,492 +1,515 @@ -# Pitzer.DAT for calculating pressure dependence of reactions -# and temperature dependence to 200 °C. With -# molal volumina of aqueous species and of minerals, and -# critical temperatures and pressures of gases used in Peng-Robinson's EOS. +# pitzer.dat for calculating temperature and pressure dependence of reactions, and the specific conductance and viscosity of the solution, using +# diffusion coefficients of species, molal volumina of aqueous species and minerals, and critical temperatures and pressures of gases used in Peng-Robinson's EOS. # Details are given at the end of this file. + SOLUTION_MASTER_SPECIES -Alkalinity CO3-2 1 Ca0.5(CO3)0.5 50.05 -B B(OH)3 0 B 10.81 -Ba Ba+2 0 Ba 137.33 -Br Br- 0 Br 79.904 -C CO3-2 2 HCO3 12.0111 -C(4) CO3-2 2 HCO3 12.0111 -Ca Ca+2 0 Ca 40.08 -Cl Cl- 0 Cl 35.453 -E e- 0 0.0 0.0 -Fe Fe+2 0 Fe 55.847 -H H+ -1 H 1.008 -H(1) H+ -1 0.0 -K K+ 0 K 39.0983 -Li Li+ 0 Li 6.941 -Mg Mg+2 0 Mg 24.305 -Mn Mn+2 0 Mn 54.938 -Na Na+ 0 Na 22.9898 -O H2O 0 O 16.00 -O(-2) H2O 0 0.0 -S SO4-2 0 SO4 32.064 -S(6) SO4-2 0 SO4 -Si H4SiO4 0 SiO2 28.0843 -Sr Sr+2 0 Sr 87.62 -# redox-uncoupled gases -Hdg Hdg 0 Hdg 2.016 # H2 gas -Oxg Oxg 0 Oxg 32 # Oxygen gas -Mtg Mtg 0.0 Mtg 16.032 # CH4 gas -Sg H2Sg 1.0 H2Sg 34.08 # H2S gas -Ntg Ntg 0 Ntg 28.0134 # N2 gas +Alkalinity CO3-2 1 Ca0.5(CO3)0.5 50.05 +B B(OH)3 0 B 10.81 +Ba Ba+2 0 Ba 137.33 +Br Br- 0 Br 79.904 +C CO3-2 2 HCO3 12.0111 +C(4) CO3-2 2 HCO3 12.0111 +Ca Ca+2 0 Ca 40.08 +Cl Cl- 0 Cl 35.453 +E e- 1 0.0 0.0 +Fe Fe+2 0 Fe 55.847 +H H+ -1 H 1.008 +H(1) H+ -1 0.0 +K K+ 0 K 39.0983 +Li Li+ 0 Li 6.941 +Mg Mg+2 0 Mg 24.305 +Mn Mn+2 0 Mn 54.938 +Na Na+ 0 Na 22.9898 +O H2O 0 O 16.00 +O(-2) H2O 0 0.0 +S SO4-2 0 SO4 32.064 +S(6) SO4-2 0 SO4 +Si H4SiO4 0 SiO2 28.0843 +Sr Sr+2 0 Sr 87.62 +# redox-uncoupled gases +Hdg Hdg 0 Hdg 2.016 # H2 gas +Oxg Oxg 0 Oxg 32 # Oxygen gas +Mtg Mtg 0 Mtg 16.032 # CH4 gas +Sg H2Sg 0 H2Sg 32.064 # H2S gas +Ntg Ntg 0 Ntg 28.0134 # N2 gas SOLUTION_SPECIES H+ = H+ - -dw 9.31e-9 1000 0.46 1e-10 # The dw parameters are defined in ref. 4. -# Dw(TK) = 9.31e-9 * exp(1000 / TK - 1000 / 298.15) * TK * 0.89 / (298.15 * viscos) -# Dw(I) = Dw(TK) * exp(-0.46 * DH_A * |z_H+| * I^0.5 / (1 + DH_B * I^0.5 * 1e-10 / (1 + I^0.75))) + -viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.57 # for viscosity parameters see ref. 4 + -dw 9.31e-9 838 4.02 -1.836 0.415 24.01 0 +# Dw(25 C) dw_T a a2 visc a3 a_v_dif +# Dw(TK) = 9.31e-9 * exp(823 / TK - 823 / 298.15) * viscos_0_25 / viscos_0_tc +# a = DH ion size, a2 = exponent, visc = viscosity exponent, a3(H+) = 24.01 = new dw calculation from A.D. 2024, a_v_dif = exponent in (viscos_0_tc / viscos)^a_v_dif for tracer diffusion. + +# For SC, Dw(TK) *= (viscos_0_tc / viscos)^visc (visc = 0.415 for H+) +# a3 > 5 or a3 = 0 or not defined ? ka = DH_B * a * (1 + (vm - v0))^a2 * mu^0.5, in Onsager-Falkenhagen eqn. (For H+, the reference ion, vm = v0 = 0, a *= (1 + mu)^a2.) +# a3 = -10 ? ka = DH_B * a * mu^a2 in DHO. (Define a3 = -10.) +# -5 < a3 < 5 ? ka = DH_B * a2 * mu^0.5 / (1 + mu^a3), Appelo, 2017: Dw(I) = Dw(TK) * exp(-a * DH_A * z * sqrt_mu / (1 + ka)) + +# If a_v_dif <> 0, Dw(TK) *= (viscos_0_tc / viscos)^a_v_dif in TRANSPORT. e- = e- H2O = H2O + -dw 2.299e-9 -254 Li+ = Li+ - -dw 1.03e-9 80 - -Vm -0.419 -0.069 13.16 -2.78 0.416 0 0.296 -12.4 -2.74e-3 1.26 # ref. 2 and Ellis, 1968, J. Chem. Soc. A, 1138 + -Vm -0.419 -0.069 13.16 -2.78 0.416 0 0.296 -12.4 -2.74e-3 1.26 # The apparent volume parameters are defined in ref. 1 & 2 For Li+ additional data from Ellis, 1968, J. Chem. Soc. A, 1138 + -viscosity 0.162 -2.45e-2 3.73e-2 9.7e-4 8.1e-4 2.087 # < 10 M LiCl + -dw 1.03e-9 -14 4.03 0.8341 1.679 Na+ = Na+ - -dw 1.33e-9 122 1.52 3.70 - -Vm 2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.566 # ref. 1 + -Vm 2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.566 # for calculating densities (rho) when I > 3... # -Vm 2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.45 + -viscosity 0.1387 -8.66e-2 1.25e-2 1.45e-2 7.5e-3 1.062 + -dw 1.33e-9 75 3.627 0 0.7037 K+ = K+ - -dw 1.96e-9 395 2.5 21 - -Vm 3.322 -1.473 6.534 -2.712 9.06e-2 3.5 0 29.70 0 1 # ref. 1 + -Vm 3.322 -1.473 6.534 -2.712 9.06e-2 3.5 0 29.7 0 1 + -viscosity 0.116 -0.191 1.52e-2 1.4e-2 2.59e-2 0.9028 + -dw 1.96e-9 254 3.484 0 0.1964 Mg+2 = Mg+2 - -dw 0.705e-9 111 2.4 13.7 - -Vm -1.410 -8.6 11.13 -2.39 1.332 5.5 1.29 -32.9 -5.86e-3 1 # ref. 1 + -Vm -1.41 -8.6 11.13 -2.39 1.332 5.5 1.29 -32.9 -5.86e-3 1 + -viscosity 0.426 0 0 1.66e-3 4.32e-3 2.461 + -dw 0.705e-9 -4 5.569 0 1.047 Ca+2 = Ca+2 - -dw 0.793e-9 97 3.4 24.6 - -Vm -0.3456 -7.252 6.149 -2.479 1.239 5 1.60 -57.1 -6.12e-3 1 # ref. 1 + -Vm -0.3456 -7.252 6.149 -2.479 1.239 5 1.6 -57.1 -6.12e-3 1 # The apparent volume parameters are defined in ref. 1 & 2 + -viscosity 0.359 -0.158 4.2e-2 1.5e-3 8.04e-3 2.3 # ref. 4, CaCl2 < 6 M + -dw 0.792e-9 34 5.411 0 1.046 Sr+2 = Sr+2 - -dw 0.794e-9 161 - -Vm -1.57e-2 -10.15 10.18 -2.36 0.860 5.26 0.859 -27.0 -4.1e-3 1.97 # ref. 1 + -Vm -1.57e-2 -10.15 10.18 -2.36 0.86 5.26 0.859 -27 -4.1e-3 1.97 + -viscosity 0.472 -0.252 5.51e-3 3.67e-3 0 1.876 + -dw 0.794e-9 149 0.805 1.961 1e-9 0.7876 Ba+2 = Ba+2 - -dw 0.848e-9 46 - -Vm 2.063 -10.06 1.9534 -2.36 0.4218 5 1.58 -12.03 -8.35e-3 1 # ref. 1 + -Vm 2.063 -10.06 1.9534 -2.36 0.4218 5 1.58 -12.03 -8.35e-3 1 + -viscosity 0.338 -0.227 1.39e-2 3.07e-2 0 0.768 + -dw 0.848e-9 174 10.53 0 3 Mn+2 = Mn+2 - -dw 0.688e-9 - -Vm -1.10 -8.03 4.08 -2.45 1.4 6 8.07 0 -1.51e-2 0.118 # ref. 2 + -Vm -1.1 -8.03 4.08 -2.45 1.4 6 8.07 0 -1.51e-2 0.118 # ref. 2 + -dw 0.688e-9 Fe+2 = Fe+2 - -dw 0.719e-9 - -Vm -0.3255 -9.687 1.536 -2.379 0.3033 6 -4.21e-2 39.7 0 1 # ref. 1 + -Vm -0.3255 -9.687 1.536 -2.379 0.3033 6 -4.21e-2 39.7 0 1 + -dw 0.719e-9 Cl- = Cl- - -dw 2.03e-9 194 1.6 6.9 - -Vm 4.465 4.801 4.325 -2.847 1.748 0 -0.331 20.16 0 1 # ref. 1 + -Vm 4.465 4.801 4.325 -2.847 1.748 0 -0.331 20.16 0 1 + -viscosity 0 0 0 0 0 0 1 # the reference solute + -dw 2.033e-9 216 3.16 0.2071 0.7432 CO3-2 = CO3-2 - -dw 0.955e-9 0 1.12 2.84 - -Vm 4.91 0 0 -5.41 4.76 0 0.386 89.7 -1.57e-2 1 # ref. 1 + -Vm 8.569 -10.4 -19.38 3e-4 4.61 0 2.99 0 -3.23e-2 0.872 + -viscosity 0 0.296 3.63e-2 2e-4 -1.9e-2 1.881 -1.754 + -dw 0.955e-9 -60 2.257 0.1022 0.4136 SO4-2 = SO4-2 - -dw 1.07e-9 34 4.46 25.9 - -Vm -7.77 43.17 141.1 -42.45 3.794 0 4.97 26.5 -5.77e-2 0.45 # ref. 1 + -Vm -7.77 43.17 176 -51.45 3.794 0 4.97 20.5 -5.77e-2 0.45 + -viscosity -4.1e-2 0.1735 1.308e-2 2.16e-4 2.83e-2 3.375 0.21 + -dw 1.07e-9 -63 0.397 0.982 1.01 B(OH)3 = B(OH)3 - -dw 1.1e-9 - -Vm 7.0643 8.8547 3.5844 -3.1451 -.2000 # supcrt + -Vm 7.0643 8.8547 3.5844 -3.1451 -.2 # supcrt + -dw 1.1e-9 Br- = Br- - -dw 2.01e-9 258 - -Vm 6.72 2.85 4.21 -3.14 1.38 0 -9.56e-2 7.08 -1.56e-3 1 # ref. 2 + -Vm 6.72 2.85 4.21 -3.14 1.38 0 -9.56e-2 7.08 -1.56e-3 1 + -viscosity -6.98e-2 -0.141 1.78e-2 0.159 7.76e-3 6.25e-2 0.859 + -dw 2.09e-9 208 3.5 0 0.5737 H4SiO4 = H4SiO4 - -dw 1.10e-9 - -Vm 10.5 1.7 20 -2.7 0.1291 # supcrt + 2*H2O in a1 + -Vm 10.5 1.7 20 -2.7 0.1291 # supcrt 2*H2O in a1 + -dw 1.1e-9 # redox-uncoupled gases Hdg = Hdg # H2 - -dw 5.13e-9 - -Vm 6.52 0.78 0.12 # supcrt + -Vm 6.52 0.78 0.12 # supcrt + -dw 5.13e-9 Oxg = Oxg # O2 - -dw 2.35e-9 - -Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt + -Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt + -dw 2.35e-9 Mtg = Mtg # CH4 - -dw 1.85e-9 - -Vm 9.01 -1.11 0 -1.85 -1.50 # ref. 1 + Hnedkovsky et al., 1996, JCT 28, 125 + -Vm 9.01 -1.11 0 -1.85 -1.5 # Hnedkovsky et al., 1996, JCT 28, 125 + -dw 1.85e-9 Ntg = Ntg # N2 - -dw 1.96e-9 - -Vm 7 # Pray et al., 1952, IEC 44. 1146 + -Vm 7 # Pray et al., 1952, IEC 44 1146 + -dw 1.96e-9 -90 # Cadogan et al. 2014, JCED 59, 519 H2Sg = H2Sg # H2S - -dw 2.1e-9 - -Vm 1.39 28.3 0 -7.22 -0.59 # ref. 1 + Hnedkovsky et al., 1996, JCT 28, 125 + -Vm 1.39 28.3 0 -7.22 -0.59 # Hnedkovsky et al., 1996, JCT 28, 125 + -dw 2.1e-9 # aqueous species H2O = OH- + H+ - -analytic 293.29227 0.1360833 -10576.913 -123.73158 0 -6.996455e-5 - -dw 5.27e-9 548 0.52 1e-10 - -Vm -9.66 28.5 80.0 -22.9 1.89 0 1.09 0 0 1 # ref. 1 + -analytic 293.29227 0.1360833 -10576.913 -123.73158 0 -6.996455e-5 + -Vm -9.66 28.5 80 -22.9 1.89 0 1.09 0 0 1 + -viscosity -2.26e-2 0.106 2.184e-2 -3.2e-3 0 0.4082 -1.634 # < 5 M Li,Na,KOH + -dw 5.27e-9 491 1.851 0 0.3256 CO3-2 + H+ = HCO3- - log_k 10.3393 - delta_h -3.561 kcal - -analytic 107.8975 0.03252849 -5151.79 -38.92561 563713.9 - -dw 1.18e-9 0 1.43 1e-10 - -Vm 8.54 0 -11.7 0 1.6 0 0 116 0 1 # ref. 1 + log_k 10.3393; delta_h -3.561 kcal + -analytic 107.8975 0.03252849 -5151.79 -38.92561 563713.9 + -Vm 9.463 -2.49 -11.92 0 1.63 0 0 130 0 0.691 + -viscosity 0 0.633 7.2e-3 0 0 0 1.087 + -dw 1.18e-9 -108 9.955 0 1.4928 CO3-2 + 2 H+ = CO2 + H2O - log_k 16.6767 - delta_h -5.738 kcal - -analytic 464.1965 0.09344813 -26986.16 -165.75951 2248628.9 - -dw 1.92e-9 - -Vm 7.29 0.92 2.07 -1.23 -1.60 # ref. 1 + McBride et al. 2015, JCED 60, 171 + log_k 16.6767 + delta_h -5.738 kcal + -analytic 464.1965 0.09344813 -26986.16 -165.75951 2248628.9 + -Vm 7.29 0.92 2.07 -1.23 -1.6 # McBride et al. 2015, JCED 60, 171 + -viscosity 1.15e-2 9.82e-2 3.59e-2 0 0 0 0.266 + -dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519 SO4-2 + H+ = HSO4- - log_k 1.979 - delta_h 4.91 kcal - -analytic -5.3585 0.0183412 557.2461 - -dw 1.33e-9 - -Vm 8.2 9.2590 2.1108 -3.1618 1.1748 0 -0.3 15 0 1 # ref. 1 + -log_k 1.988; -delta_h 3.85 kcal + -analytic -56.889 0.006473 2307.9 19.8858 + -Vm 8.2 9.259 2.1108 -3.1618 1.1748 0 -0.3 15 0 1 + -viscosity 3.29e-2 -4.86e-2 0.409 1e-5 4.23e-2 1.069 0.7371 + -dw 0.731e-9 1e3 7.082 3 0.86 H2Sg = HSg- + H+ - log_k -6.994 - delta_h 5.30 kcal - -analytical 11.17 -0.02386 -3279.0 - -dw 1.73e-9 - -Vm 5.0119 4.9799 3.4765 -2.9849 1.4410 # supcrt -2H2Sg = (H2Sg)2 # activity correction for H2S solubility at high P, T - -analytical 10.227 -0.01384 -2200 - -Vm 36.41 -71.95 0 0 2.58 + log_k -6.994 + delta_h 5.3 kcal + -analytical 11.17 -0.02386 -3279 + -Vm 5.0119 4.9799 3.4765 -2.9849 1.441 # supcrt + -dw 1.73e-9 +2 H2Sg = (H2Sg)2 # activity correction for H2S solubility at high P, T + -analytical 10.227 -0.01384 -2200 + -Vm 36.41 -71.95 0 0 2.58 + -dw 2.1e-9 B(OH)3 + H2O = B(OH)4- + H+ - log_k -9.239 - delta_h 0 kcal -3B(OH)3 = B3O3(OH)4- + 2H2O + H+ - log_k -7.528 - delta_h 0 kcal -4B(OH)3 = B4O5(OH)4-2 + 3H2O + 2H+ - log_k -16.134 - delta_h 0 kcal + log_k -9.239 + delta_h 0 kcal +3 B(OH)3 = B3O3(OH)4- + 2 H2O + H+ + log_k -7.528 + delta_h 0 kcal +4 B(OH)3 = B4O5(OH)4-2 + 3 H2O + 2 H+ + log_k -16.134 + delta_h 0 kcal Ca+2 + B(OH)3 + H2O = CaB(OH)4+ + H+ - log_k -7.589 - delta_h 0 kcal + log_k -7.589 + delta_h 0 kcal Mg+2 + B(OH)3 + H2O = MgB(OH)4+ + H+ - log_k -7.840 - delta_h 0 kcal + log_k -7.84 + delta_h 0 kcal # Ca+2 + CO3-2 = CaCO3 - # log_k 3.151 + # log_k 3.151 # delta_h 3.547 kcal # -analytic -1228.806 -0.299440 35512.75 485.818 - # -dw 4.46e-10 # complexes: calc'd with the Pikal formula - # -Vm -.2430 -8.3748 9.0417 -2.4328 -.0300 # supcrt + # -dw 4.46e-10 # complexes: calc'd with the Pikal formula + # -Vm -.2430 -8.3748 9.0417 -2.4328 -.0300 # supcrt Mg+2 + H2O = MgOH+ + H+ - log_k -11.809 + log_k -11.809 delta_h 15.419 kcal Mg+2 + CO3-2 = MgCO3 - log_k 2.928 - delta_h 2.535 kcal - -analytic -32.225 0.0 1093.486 12.72433 + log_k 2.928 + delta_h 2.535 kcal + -analytic -32.225 0 1093.486 12.72433 -dw 4.21e-10 - -Vm -.5837 -9.2067 9.3687 -2.3984 -.0300 # supcrt + -Vm -.5837 -9.2067 9.3687 -2.3984 -.03 # supcrt H4SiO4 = H3SiO4- + H+ - -log_k -9.83; -delta_h 6.12 kcal - -analytic -302.3724 -0.050698 15669.69 108.18466 -1119669.0 - -Vm 7.94 1.0881 5.3224 -2.8240 1.4767 # supcrt + H2O in a1 + -log_k -9.83; -delta_h 6.12 kcal + -analytic -302.3724 -0.050698 15669.69 108.18466 -1119669 + -Vm 7.94 1.0881 5.3224 -2.824 1.4767 # supcrt + H2O in a1 H4SiO4 = H2SiO4-2 + 2 H+ - -log_k -23.0; -delta_h 17.6 kcal - -analytic -294.0184 -0.072650 11204.49 108.18466 -1119669.0 + -log_k -23; -delta_h 17.6 kcal + -analytic -294.0184 -0.07265 11204.49 108.18466 -1119669 PHASES Akermanite - Ca2MgSi2O7 + 6 H+ = Mg+2 + 2 Ca+2 + 2 H4SiO4 - H2O # llnl.dat - log_k 45.23 - -delta_H -289 kJ/mol + Ca2MgSi2O7 + 6 H+ = Mg+2 + 2 Ca+2 + 2 H4SiO4 - H2O # llnl.dat + log_k 45.23 + -delta_H -289 kJ/mol Vm 92.6 Anhydrite CaSO4 = Ca+2 + SO4-2 - log_k -4.362 - -analytical_expression 5.009 -2.21e-2 -796.4 # ref. 3 + log_k -4.362 + -analytical_expression 5.009 -2.21e-2 -796.4 # ref. 3 -Vm 46.1 # 136.14 / 2.95 Anthophyllite - Mg7Si8O22(OH)2 + 14 H+ = 7 Mg+2 - 8 H2O + 8 H4SiO4 # llnl.dat - log_k 66.80 - -delta_H -483 kJ/mol + Mg7Si8O22(OH)2 + 14 H+ = 7 Mg+2 - 8 H2O + 8 H4SiO4 # llnl.dat + log_k 66.8 + -delta_H -483 kJ/mol Vm 269 Antigorite - Mg48Si34O85(OH)62 + 96 H+ = 34 H4SiO4 + 48 Mg+2 + 11 H2O # llnl.dat - log_k 477.19 - -delta_H -3364 kJ/mol + Mg48Si34O85(OH)62 + 96 H+ = 34 H4SiO4 + 48 Mg+2 + 11 H2O # llnl.dat + log_k 477.19 + -delta_H -3364 kJ/mol Vm 1745 Aragonite CaCO3 = CO3-2 + Ca+2 - log_k -8.336 + log_k -8.336 delta_h -2.589 kcal - -analytic -171.8607 -.077993 2903.293 71.595 + -analytic -171.8607 -.077993 2903.293 71.595 -Vm 34.04 Arcanite - K2SO4 = SO4-2 + 2 K+ - log_k -1.776; -delta_h 5 kcal - -analytical_expression 674.142 0.30423 -18037 -280.236 0 -1.44055e-4 # ref. 3 + K2SO4 = SO4-2 + 2 K+ + log_k -1.776; -delta_h 5 kcal + -analytical_expression 674.142 0.30423 -18037 -280.236 0 -1.44055e-4 # ref. 3 # Note, the Linke and Seidell data may give subsaturation in other xpt's, SI = -0.06 -Vm 65.5 Artinite - Mg2CO3(OH)2:3H2O + 3 H+ = HCO3- + 2 Mg+2 + 5 H2O # llnl.dat - log_k 19.66 - -delta_H -130 kJ/mol + Mg2CO3(OH)2:3H2O + 3 H+ = HCO3- + 2 Mg+2 + 5 H2O # llnl.dat + log_k 19.66 + -delta_H -130 kJ/mol Vm 97.4 Barite BaSO4 = Ba+2 + SO4-2 - log_k -9.97; delta_h 6.35 kcal - -analytical_expression -282.43 -8.972e-2 5822 113.08 # ref. 3 + log_k -9.97; delta_h 6.35 kcal + -analytical_expression -282.43 -8.972e-2 5822 113.08 # ref. 3 -Vm 52.9 Bischofite - MgCl2:6H2O = Mg+2 + 2 Cl- + 6 H2O - log_k 4.455 - -analytical_expression 7.526 -1.114e-2 115.7 # ref. 3 + MgCl2:6H2O = Mg+2 + 2 Cl- + 6 H2O + log_k 4.455 + -analytical_expression 7.526 -1.114e-2 115.7 # ref. 3 Vm 127.1 Bloedite - Na2Mg(SO4)2:4H2O = Mg++ + 2 Na+ + 2 SO4-- + 4 H2O - log_k -2.347 - -delta_H 0 # Not possible to calculate enthalpy of reaction Bloedite + Na2Mg(SO4)2:4H2O = Mg+2 + 2 Na+ + 2 SO4-2 + 4 H2O + log_k -2.347 + -delta_H 0 # Not possible to calculate enthalpy of reaction Bloedite Vm 147 Brucite - Mg(OH)2 = Mg++ + 2 OH- - log_k -10.88 - -delta_H 4.85 kcal/mol + Mg(OH)2 = Mg+2 + 2 OH- + log_k -10.88 + -delta_H 4.85 kcal/mol Vm 24.6 Burkeite - Na6CO3(SO4)2 = CO3-2 + 2 SO4-- + 6 Na+ - log_k -0.772 + Na6CO3(SO4)2 = CO3-2 + 2 SO4-2 + 6 Na+ + log_k -0.772 Vm 152 Calcite CaCO3 = CO3-2 + Ca+2 - log_k -8.406 + log_k -8.406 delta_h -2.297 kcal - -analytic 8.481 -0.032644 -2133 # ref. 3 + data from Ellis, 1959, Plummer and Busenberg, 1982 + -analytic 8.481 -0.032644 -2133 # ref. 3 with data from Ellis, 1959, Plummer and Busenberg, 1982 -Vm 36.9 Carnallite - KMgCl3:6H2O = K+ + Mg+2 + 3Cl- + 6H2O - log_k 4.35; -delta_h 1.17 - -analytical_expression 24.06 -3.11e-2 -3.09e3 # ref. 3 + KMgCl3:6H2O = K+ + Mg+2 + 3 Cl- + 6 H2O + log_k 4.35; -delta_h 1.17 + -analytical_expression 24.06 -3.11e-2 -3.09e3 # ref. 3 Vm 173.7 Celestite SrSO4 = Sr+2 + SO4-2 - log_k -6.630 - -analytic -7.14 6.11E-03 75 0 0 -1.79E-05 # ref. 3 + log_k -6.63 + -analytic -7.14 6.11E-3 75 0 0 -1.79E-5 # ref. 3 -Vm 46.4 Chalcedony SiO2 + 2 H2O = H4SiO4 - -log_k -3.55; -delta_h 4.720 kcal + -log_k -3.55; -delta_h 4.72 kcal -Vm 23.1 Chrysotile Mg3Si2O5(OH)4 + 6 H+ = H2O + 2 H4SiO4 + 3 Mg+2 # phreeqc.dat - -log_k 32.2 - -delta_h -46.800 kcal - -analytic 13.248 0.0 10217.1 -6.1894 + -log_k 32.2 + -delta_h -46.8 kcal + -analytic 13.248 0 10217.1 -6.1894 -Vm 110 Diopside - CaMgSi2O6 + 4 H+ = Ca+2 + Mg+2 - 2 H2O + 2 H4SiO4 # llnl.dat - log_k 20.96 - -delta_H -134 kJ/mol + CaMgSi2O6 + 4 H+ = Ca+2 + Mg+2 - 2 H2O + 2 H4SiO4 # llnl.dat + log_k 20.96 + -delta_H -134 kJ/mol Vm 67.2 Dolomite CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2 - log_k -17.09 + log_k -17.09 delta_h -9.436 kcal - -analytic -120.63 -0.1051 0 54.509 # 50–175°C, Bénézeth et al., 2018, GCA 224, 262-275. + -analytic -120.63 -0.1051 0 54.509 # 50–175°C, Bénézeth et al., 2018, GCA 224, 262-275 -Vm 64.5 Enstatite - MgSiO3 + 2 H+ = - H2O + Mg+2 + H4SiO4 # llnl.dat - log_k 11.33 - -delta_H -83 kJ/mol + MgSiO3 + 2 H+ = - H2O + Mg+2 + H4SiO4 # llnl.dat + log_k 11.33 + -delta_H -83 kJ/mol Vm 31.3 Epsomite - MgSO4:7H2O = Mg+2 + SO4-2 + 7 H2O - log_k -1.881 - -analytical_expression 4.479 -6.99e-3 -1.265e3 # ref. 3 + MgSO4:7H2O = Mg+2 + SO4-2 + 7 H2O + log_k -1.881 + -analytical_expression 4.479 -6.99e-3 -1.265e3 # ref. 3 Vm 147 Forsterite - Mg2SiO4 + 4 H+ = H4SiO4 + 2 Mg+2 # llnl.dat - log_k 27.86 - -delta_H -206 kJ/mol + Mg2SiO4 + 4 H+ = H4SiO4 + 2 Mg+2 # llnl.dat + log_k 27.86 + -delta_H -206 kJ/mol Vm 43.7 Gaylussite CaNa2(CO3)2:5H2O = Ca+2 + 2 CO3-2 + 2 Na+ + 5 H2O - log_k -9.421 + log_k -9.421 Glaserite - NaK3(SO4)2 = Na+ + 3K+ + 2SO4-2 - log_k -3.803; -delta_h 25 + NaK3(SO4)2 = Na+ + 3 K+ + 2 SO4-2 + log_k -3.803; -delta_h 25 -Vm 123 Glauberite - Na2Ca(SO4)2 = Ca+2 + 2 Na+ + 2 SO4-2 - log_k -5.31 - -analytical_expression 218.142 0 -9285 -77.735 # ref. 3 + Na2Ca(SO4)2 = Ca+2 + 2 Na+ + 2 SO4-2 + log_k -5.31 + -analytical_expression 218.142 0 -9285 -77.735 # ref. 3 Vm 100.4 Goergeyite - K2Ca5(SO4)6H2O = 2K+ + 5Ca+2 + 6SO4-2 + H2O + K2Ca5(SO4)6H2O = 2 K+ + 5 Ca+2 + 6 SO4-2 + H2O log_k -29.5 - -analytical_expression 1056.787 0 -52300 -368.06 # ref. 3 - -Vm 295.9 + -analytical_expression 1056.787 0 -52300 -368.06 # ref. 3 + -Vm 295.9 Gypsum CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O - -log_k -4.58; -delta_h -0.109 kcal - -analytical_expression 82.381 0 -3804.5 -29.9952 # ref. 3 + -log_k -4.58; -delta_h -0.109 kcal + -analytical_expression 82.381 0 -3804.5 -29.9952 # ref. 3 -Vm 73.9 Halite - NaCl = Cl- + Na+ - log_k 1.570 - -analytical_expression 159.605 8.4294e-2 -3975.6 -66.857 0 -4.9364e-5 # ref. 3 + NaCl = Cl- + Na+ + log_k 1.57 + -analytical_expression 159.605 8.4294e-2 -3975.6 -66.857 0 -4.9364e-5 # ref. 3 -Vm 27.1 Hexahydrite - MgSO4:6H2O = Mg+2 + SO4-2 + 6 H2O - log_k -1.635 - -analytical_expression -0.733 -2.80e-3 -8.57e-3 # ref. 3 + MgSO4:6H2O = Mg+2 + SO4-2 + 6 H2O + log_k -1.635 + -analytical_expression -0.733 -2.8e-3 -8.57e-3 # ref. 3 Vm 132 Huntite - CaMg3(CO3)4 + 4 H+ = Ca+2 + 3 Mg+2 + 4 HCO3- # llnl.dat - log_k 10.30 - -analytical_expression -1.145e3 -3.249e-1 3.941e4 4.526e2 + CaMg3(CO3)4 + 4 H+ = Ca+2 + 3 Mg+2 + 4 HCO3- # llnl.dat + log_k 10.3 + -analytical_expression -1.145e3 -3.249e-1 3.941e4 4.526e2 Vm 130.8 Kainite - KMgClSO4:3H2O = Cl- + K+ + Mg+2 + SO4-2 + 3 H2O - log_k -0.193 + KMgClSO4:3H2O = Cl- + K+ + Mg+2 + SO4-2 + 3 H2O + log_k -0.193 Kalicinite - KHCO3 = K+ + H+ + CO3-2 - log_k -9.94 # Harvie et al., 1984 + KHCO3 = K+ + H+ + CO3-2 + log_k -9.94 # Harvie et al., 1984 Kieserite - MgSO4:H2O = Mg+2 + SO4-2 + H2O - log_k -0.123 - -analytical_expression 47.24 -0.12077 -5.356e3 0 0 7.272e-5 # ref. 3 + MgSO4:H2O = Mg+2 + SO4-2 + H2O + log_k -0.123 + -analytical_expression 47.24 -0.12077 -5.356e3 0 0 7.272e-5 # ref. 3 Vm 53.8 Labile_S - Na4Ca(SO4)3:2H2O = 4Na+ + Ca+2 + 3SO4-2 + 2H2O - log_k -5.672 + Na4Ca(SO4)3:2H2O = 4 Na+ + Ca+2 + 3 SO4-2 + 2 H2O + log_k -5.672 Leonhardite - MgSO4:4H2O = Mg+2 + SO4-2 + 4H2O - log_k -0.887 + MgSO4:4H2O = Mg+2 + SO4-2 + 4 H2O + log_k -0.887 Leonite - K2Mg(SO4)2:4H2O = Mg+2 + 2 K+ + 2 SO4-2 + 4 H2O - log_k -3.979 + K2Mg(SO4)2:4H2O = Mg+2 + 2 K+ + 2 SO4-2 + 4 H2O + log_k -3.979 Magnesite - MgCO3 = CO3-2 + Mg+2 - log_k -7.834 - delta_h -6.169 + MgCO3 = CO3-2 + Mg+2 + log_k -7.834 + delta_h -6.169 Vm 28.3 MgCl2_2H2O - MgCl2:2H2O = Mg+2 + 2 Cl- + 2 H2O - -analytical_expression -10.273 0 7.403e3 # ref. 3 + MgCl2:2H2O = Mg+2 + 2 Cl- + 2 H2O + -analytical_expression -10.273 0 7.403e3 # ref. 3 MgCl2_4H2O - MgCl2:4H2O = Mg+2 + 2 Cl- + 4 H2O - -analytical_expression 12.98 -2.013e-2 # ref. 3 + MgCl2:4H2O = Mg+2 + 2 Cl- + 4 H2O + -analytical_expression 12.98 -2.013e-2 # ref. 3 Mirabilite - Na2SO4:10H2O = SO4-2 + 2 Na+ + 10 H2O - -analytical_expression -301.9326 -0.16232 0 141.078 # ref. 3 + Na2SO4:10H2O = SO4-2 + 2 Na+ + 10 H2O + -analytical_expression -301.9326 -0.16232 0 141.078 # ref. 3 Vm 216 Misenite - K8H6(SO4)7 = 6 H+ + 7 SO4-2 + 8 K+ - log_k -10.806 + K8H6(SO4)7 = 6 H+ + 7 SO4-2 + 8 K+ + log_k -10.806 Nahcolite - NaHCO3 = CO3-2 + H+ + Na+ - log_k -10.742 - Vm 38.0 + NaHCO3 = CO3-2 + H+ + Na+ + log_k -10.742 + Vm 38 Natron Na2CO3:10H2O = CO3-2 + 2 Na+ + 10 H2O - log_k -0.825 + log_k -0.825 Nesquehonite - MgCO3:3H2O = CO3-2 + Mg+2 + 3 H2O - log_k -5.167 + MgCO3:3H2O = CO3-2 + Mg+2 + 3 H2O + log_k -5.167 Pentahydrite - MgSO4:5H2O = Mg+2 + SO4-2 + 5 H2O - log_k -1.285 + MgSO4:5H2O = Mg+2 + SO4-2 + 5 H2O + log_k -1.285 Pirssonite - Na2Ca(CO3)2:2H2O = 2Na+ + Ca+2 + 2CO3-2 + 2 H2O - log_k -9.234 + Na2Ca(CO3)2:2H2O = 2 Na+ + Ca+2 + 2 CO3-2 + 2 H2O + log_k -9.234 Polyhalite - K2MgCa2(SO4)4:2H2O = 2K+ + Mg+2 + 2 Ca+2 + 4SO4-2 + 2 H2O - log_k -13.744 + K2MgCa2(SO4)4:2H2O = 2 K+ + Mg+2 + 2 Ca+2 + 4 SO4-2 + 2 H2O + log_k -13.744 Vm 218 Portlandite - Ca(OH)2 = Ca+2 + 2 OH- - log_k -5.190 + Ca(OH)2 = Ca+2 + 2 OH- + log_k -5.19 Quartz SiO2 + 2 H2O = H4SiO4 - -log_k -3.98; -delta_h 5.990 kcal + -log_k -3.98; -delta_h 5.99 kcal -Vm 22.67 Schoenite - K2Mg(SO4)2:6H2O = 2K+ + Mg+2 + 2 SO4-2 + 6H2O - log_k -4.328 + K2Mg(SO4)2:6H2O = 2 K+ + Mg+2 + 2 SO4-2 + 6 H2O + log_k -4.328 Sepiolite(d) - Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4 # phreeqc.dat - -log_k 18.66 + Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5 H2O = 2 Mg+2 + 3 H4SiO4 # phreeqc.dat + -log_k 18.66 -Vm 162 Sepiolite - Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4 # phreeqc.dat - -log_k 15.760 - -delta_h -10.700 kcal + Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5 H2O = 2 Mg+2 + 3 H4SiO4 # phreeqc.dat + -log_k 15.76 + -delta_h -10.7 kcal -Vm 154 SiO2(a) SiO2 + 2 H2O = H4SiO4 - -log_k -2.71; -delta_h 3.340 kcal - -analytic 20.42 3.107e-3 -1492 -7.68 # ref. 3 + -log_k -2.71; -delta_h 3.34 kcal + -analytic 20.42 3.107e-3 -1492 -7.68 # ref. 3 -Vm 25.7 Sylvite - KCl = K+ + Cl- - log_k 0.90; -delta_h 8 - -analytical_expression -50.571 9.8815e-2 1.3135e4 0 -1.3754e6 -7.393e-5 # ref. 3 + KCl = K+ + Cl- + log_k 0.9; -delta_h 8 + -analytical_expression -50.571 9.8815e-2 1.3135e4 0 -1.3754e6 -7.393e-5 # ref. 3 Vm 37.5 Syngenite - K2Ca(SO4)2:H2O = 2K+ + Ca+2 + 2SO4-2 + H2O - log_k -6.43; -delta_h -32.65 # ref. 3 - -Vm 127.3 + K2Ca(SO4)2:H2O = 2 K+ + Ca+2 + 2 SO4-2 + H2O + log_k -6.43; -delta_h -32.65 # ref. 3 + -Vm 127.3 Talc Mg3Si4O10(OH)2 + 4 H2O + 6 H+ = 3 Mg+2 + 4 H4SiO4 # phreeqc.dat - -log_k 21.399 + -log_k 21.399 -delta_h -46.352 kcal -Vm 140 Thenardite Na2SO4 = 2 Na+ + SO4-2 - -analytical_expression 57.185 8.6024e-2 0 -30.8341 0 -7.6905e-5 # ref. 3 + -analytical_expression 57.185 8.6024e-2 0 -30.8341 0 -7.6905e-5 # ref. 3 -Vm 52.9 Trona - Na3H(CO3)2:2H2O = 3 Na+ + H+ + 2CO3-2 + 2H2O - log_k -11.384 + Na3H(CO3)2:2H2O = 3 Na+ + H+ + 2 CO3-2 + 2 H2O + log_k -11.384 Vm 106 Borax - Na2(B4O5(OH)4):8H2O + 2 H+ = 4 B(OH)3 + 2 Na+ + 5 H2O - log_k 12.464 + Na2(B4O5(OH)4):8H2O + 2 H+ = 4 B(OH)3 + 2 Na+ + 5 H2O + log_k 12.464 Vm 223 Boric_acid,s - B(OH)3 = B(OH)3 - log_k -0.030 + B(OH)3 = B(OH)3 + log_k -0.03 KB5O8:4H2O - KB5O8:4H2O + 3H2O + H+ = 5B(OH)3 + K+ - log_k 4.671 + KB5O8:4H2O + 3 H2O + H+ = 5 B(OH)3 + K+ + log_k 4.671 K2B4O7:4H2O - K2B4O7:4H2O + H2O + 2H+ = 4B(OH)3 + 2K+ - log_k 13.906 + K2B4O7:4H2O + H2O + 2 H+ = 4 B(OH)3 + 2 K+ + log_k 13.906 NaBO2:4H2O - NaBO2:4H2O + H+ = B(OH)3 + Na+ + 3H2O - log_k 9.568 + NaBO2:4H2O + H+ = B(OH)3 + Na+ + 3 H2O + log_k 9.568 NaB5O8:5H2O - NaB5O8:5H2O + 2H2O + H+ = 5B(OH)3 + Na+ - log_k 5.895 + NaB5O8:5H2O + 2 H2O + H+ = 5 B(OH)3 + Na+ + log_k 5.895 Teepleite - Na2B(OH)4Cl + H+ = B(OH)3 + 2Na+ + Cl- + H2O - log_k 10.840 + Na2B(OH)4Cl + H+ = B(OH)3 + 2 Na+ + Cl- + H2O + log_k 10.84 CO2(g) CO2 = CO2 - log_k -1.468 + log_k -1.468 delta_h -4.776 kcal - -analytic 10.5624 -2.3547e-2 -3972.8 0 5.8746e5 1.9194e-5 - -T_c 304.2 # critical T, K - -P_c 72.80 # critical P, atm + -analytic 10.5624 -2.3547e-2 -3972.8 0 5.8746e5 1.9194e-5 + -T_c 304.2 # critical T, K + -P_c 72.8 # critical P, atm -Omega 0.225 # acentric factor H2O(g) H2O = H2O - log_k 1.506; delta_h -44.03 kJ - -T_c 647.3 # critical T, K - -P_c 217.60 # critical P, atm - -Omega 0.344 # acentric factor - -analytic -16.5066 -2.0013E-3 2710.7 3.7646 0 2.24E-6 + log_k 1.506; delta_h -44.03 kJ + -T_c 647.3 # critical T, K + -P_c 217.6 # critical P, atm + -Omega 0.344 # acentric factor + -analytic -16.5066 -2.0013E-3 2710.7 3.7646 0 2.24E-6 # redox-uncoupled gases Oxg(g) Oxg = Oxg - -analytic -7.5001 7.8981e-003 0.0 0.0 2.0027e+005 - T_c 154.6 ; -P_c 49.80 ; -Omega 0.021 + -analytic -7.5001 7.8981e-3 0 0 2.0027e+5 + T_c 154.6; -P_c 49.8; -Omega 0.021 Hdg(g) Hdg = Hdg - -analytic -9.3114e+000 4.6473e-003 -4.9335e+001 1.4341e+000 1.2815e+005 - -T_c 33.2 ; -P_c 12.80 ; -Omega -0.225 + -analytic -9.3114e+0 4.6473e-3 -4.9335e+1 1.4341e+0 1.2815e+5 + -T_c 33.2; -P_c 12.8; -Omega -0.225 Ntg(g) Ntg = Ntg - -analytic -58.453 1.81800E-03 3199 17.909 -27460 - T_c 126.2 ; -P_c 33.50 ; -Omega 0.039 + -analytic -58.453 1.818E-3 3199 17.909 -27460 + T_c 126.2; -P_c 33.5; -Omega 0.039 Mtg(g) Mtg = Mtg - -analytic 10.44 -7.65e-3 -6669 0 1.014e6 # CH4 solubilities 25 - 100°C - T_c 190.6 ; -P_c 45.40 ; -Omega 0.008 + -analytic 10.44 -7.65e-3 -6669 0 1.014e6 # CH4 solubilities 25 - 100°C + T_c 190.6; -P_c 45.4; -Omega 0.008 H2Sg(g) - H2Sg = H+ + HSg- - -analytic -45.07 -0.02418 0 17.9205 # H2S solubilities, 0 - 300°C, 1 - 987 atm, Jiang et al., 2020, CG 555, 119816 - T_c 373.2 ; -P_c 88.20 ; -Omega 0.1 + H2Sg = H+ + HSg- + -analytic -45.07 -0.02418 0 17.9205 # H2S solubilities, 0 - 300°C, 1 - 987 atm, Jiang et al., 2020, CG 555, 119816 + T_c 373.2; -P_c 88.2; -Omega 0.1 PITZER -B0 B(OH)4- K+ 0.035 @@ -498,14 +521,14 @@ PITZER Ba+2 Br- 0.31455 0 0 -0.33825E-3 Ba+2 Cl- 0.5268 0 0 0 0 4.75e4 # ref. 3 Ba+2 OH- 0.17175 - Br- H+ 0.1960 0 0 -2.049E-4 + Br- H+ 0.196 0 0 -2.049E-4 Br- K+ 0.0569 0 0 7.39E-4 Br- Li+ 0.1748 0 0 -1.819E-4 Br- Mg+2 0.4327 0 0 -5.625E-5 Br- Na+ 0.0973 0 0 7.692E-4 Br- Sr+2 0.331125 0 0 -0.32775E-3 Ca+2 Br- 0.3816 0 0 -5.2275E-4 - Ca+2 Cl- 0.3159 0 0 -3.27e-4 1.4e-7 # ref. 3 + Ca+2 Cl- 0.3159 0 0 -3.27e-4 1.4e-7 # ref. 3 Ca+2 HCO3- 0.4 Ca+2 HSO4- 0.2145 Ca+2 OH- -0.1747 @@ -513,13 +536,13 @@ PITZER CaB(OH)4+ Cl- 0.12 Cl- Fe+2 0.335925 Cl- H+ 0.1775 0 0 -3.081E-4 - Cl- K+ 0.04808 -758.48 -4.7062 0.010072 -3.7599e-6 # ref. 3 + Cl- K+ 0.04808 -758.48 -4.7062 0.010072 -3.7599e-6 # ref. 3 Cl- Li+ 0.1494 0 0 -1.685E-4 - Cl- Mg+2 0.351 0 0 -9.32e-4 5.94e-7 # ref. 3 + Cl- Mg+2 0.351 0 0 -9.32e-4 5.94e-7 # ref. 3 Cl- MgB(OH)4+ 0.16 Cl- MgOH+ -0.1 Cl- Mn+2 0.327225 - Cl- Na+ 7.534e-2 9598.4 35.48 -5.8731e-2 1.798e-5 -5e5 # ref. 3 + Cl- Na+ 7.534e-2 9598.4 35.48 -5.8731e-2 1.798e-5 -5e5 # ref. 3 Cl- Sr+2 0.2858 0 0 0.717E-3 CO3-2 K+ 0.1488 0 0 1.788E-3 CO3-2 Na+ 0.0399 0 0 1.79E-3 @@ -538,21 +561,21 @@ PITZER K+ SO4-2 3.17e-2 0 0 9.28e-4 # ref. 3 Li+ OH- 0.015 Li+ SO4-2 0.136275 0 0 0.5055E-3 - Mg+2 SO4-2 0.2135 -951 0 -2.34e-2 2.28e-5 # ref. 3 + Mg+2 SO4-2 0.2135 -951 0 -2.34e-2 2.28e-5 # ref. 3 Mn+2 SO4-2 0.2065 - Na+ OH- 0.0864 0 0 7.00E-4 - Na+ SO4-2 2.73e-2 0 -5.8 9.89e-3 0 -1.563e5 # ref. 3 - SO4-2 Sr+2 0.200 0 0 -2.9E-3 + Na+ OH- 0.0864 0 0 7E-4 + Na+ SO4-2 2.73e-2 0 -5.8 9.89e-3 0 -1.563e5 # ref. 3 + SO4-2 Sr+2 0.2 0 0 -2.9E-3 -B1 B(OH)4- K+ 0.14 B(OH)4- Na+ 0.089 - B3O3(OH)4- Na+ -0.910 - B4O5(OH)4-2 Na+ -0.40 + B3O3(OH)4- Na+ -0.91 + B4O5(OH)4-2 Na+ -0.4 Ba+2 Br- 1.56975 0 0 6.78E-3 Ba+2 Cl- 0.687 0 0 1.417e-2 # ref. 3 Ba+2 OH- 1.2 Br- H+ 0.3564 0 0 4.467E-4 - Br- K+ 0.2212 0 0 17.40E-4 + Br- K+ 0.2212 0 0 17.4E-4 Br- Li+ 0.2547 0 0 6.636E-4 Br- Mg+2 1.753 0 0 3.8625E-3 Br- Na+ 0.2791 0 0 10.79E-4 @@ -567,7 +590,7 @@ PITZER Cl- H+ 0.2945 0 0 1.419E-4 Cl- K+ 0.2168 0 -6.895 2.262e-2 -9.293e-6 -1e5 # ref. 3 Cl- Li+ 0.3074 0 0 5.366E-4 - Cl- Mg+2 1.65 0 0 -1.09e-2 2.60e-5 # ref. 3 + Cl- Mg+2 1.65 0 0 -1.09e-2 2.6e-5 # ref. 3 Cl- MgOH+ 1.658 Cl- Mn+2 1.55025 Cl- Na+ 0.2769 1.377e4 46.8 -6.9512e-2 2e-5 -7.4823e5 # ref. 3 @@ -596,7 +619,7 @@ PITZER Ca+2 Cl- -1.13 0 0 -0.0476 # ref. 3 Ca+2 OH- -5.72 Ca+2 SO4-2 -59.3 0 0 -0.443 -3.96e-6 # ref. 3 - Fe+2 SO4-2 -42.0 + Fe+2 SO4-2 -42 HCO3- Na+ 8.22 0 0 -0.049 # ref. 3 + new -analytic for calcite Mg+2 SO4-2 -32.45 0 -3.236e3 21.812 -1.8859e-2 # ref. 3 Mn+2 SO4-2 -40.0 @@ -607,28 +630,28 @@ PITZER Ba+2 Cl- -0.143 -114.5 # ref. 3 Br- Ca+2 -0.00257 Br- H+ 0.00827 0 0 -5.685E-5 - Br- K+ -0.00180 0 0 -7.004E-5 + Br- K+ -0.0018 0 0 -7.004E-5 Br- Li+ 0.0053 0 0 -2.813E-5 Br- Mg+2 0.00312 - Br- Na+ 0.00116 0 0 -9.30E-5 + Br- Na+ 0.00116 0 0 -9.3E-5 Br- Sr+2 0.00122506 Ca+2 Cl- 1.4e-4 -57 -0.098 -7.83e-4 7.18e-7 # ref. 3 Ca+2 SO4-2 0.114 # ref. 3 Cl- Fe+2 -0.00860725 Cl- H+ 0.0008 0 0 6.213E-5 - Cl- K+ -7.88e-4 91.27 0.58643 -1.298e-3 4.9567e-7 # ref. 3 - Cl- Li+ 0.00359 0 0 -4.520E-5 - Cl- Mg+2 0.00651 0 0 -2.50e-4 2.418e-7 # ref. 3 + Cl- K+ -7.88e-4 91.27 0.58643 -1.298e-3 4.9567e-7 # ref. 3 + Cl- Li+ 0.00359 0 0 -4.52E-5 + Cl- Mg+2 0.00651 0 0 -2.5e-4 2.418e-7 # ref. 3 Cl- Mn+2 -0.0204972 Cl- Na+ 1.48e-3 -120.5 -0.2081 0 1.166e-7 11121 # ref. 3 - Cl- Sr+2 -0.00130 + Cl- Sr+2 -0.0013 CO3-2 K+ -0.0015 CO3-2 Na+ 0.0044 Fe+2 SO4-2 0.0209 H+ SO4-2 0.0438 HCO3- K+ -0.008 K+ OH- 0.0041 - K+ SO4-2 8.18e-3 -625 -3.30 4.06e-3 # ref. 3 + K+ SO4-2 8.18e-3 -625 -3.3 4.06e-3 # ref. 3 Li+ SO4-2 -0.00399338 0 0 -2.33345e-4 Mg+2 SO4-2 2.875e-2 0 -2.084 1.1428e-2 -8.228e-6 # ref. 3 Mn+2 SO4-2 0.01636 @@ -638,8 +661,8 @@ PITZER B(OH)4- Cl- -0.065 B(OH)4- SO4-2 -0.012 B3O3(OH)4- Cl- 0.12 - B3O3(OH)4- HCO3- -0.10 - B3O3(OH)4- SO4-2 0.10 + B3O3(OH)4- HCO3- -0.1 + B3O3(OH)4- SO4-2 0.1 B4O5(OH)4-2 Cl- 0.074 B4O5(OH)4-2 HCO3- -0.087 B4O5(OH)4-2 SO4-2 0.12 @@ -665,18 +688,18 @@ PITZER Mg+2 Na+ 0.07 Na+ Sr+2 0.051 OH- SO4-2 -0.013 --LAMDA +-LAMBDA B(OH)3 Cl- 0.091 B(OH)3 K+ -0.14 B(OH)3 Na+ -0.097 B(OH)3 SO4-2 0.018 - B3O3(OH)4- B(OH)3 -0.20 + B3O3(OH)4- B(OH)3 -0.2 Ca+2 CO2 0.183 Ca+2 H4SiO4 0.238 # ref. 3 Cl- CO2 -0.005 Cl- H2Sg -0.005 Cl- (H2Sg)2 -0.005 - CO2 CO2 -1.34e-2 348 0.803 # new VM("CO2"), CO2 solubilities at high P, 0 - 150°C + CO2 CO2 -1.34e-2 348 0.803 # new VM("CO2"), CO2 solubilities at high P, 0 - 150°C CO2 HSO4- -0.003 CO2 K+ 0.051 CO2 Mg+2 0.183 @@ -756,52 +779,63 @@ PITZER HSO4- Mg+2 SO4-2 -0.0425 HSO4- Na+ SO4-2 -0.0094 K+ Mg+2 SO4-2 -0.048 - K+ Na+ SO4-2 -0.010 - K+ OH- SO4-2 -0.050 + K+ Na+ SO4-2 -0.01 + K+ OH- SO4-2 -0.05 Mg+2 Na+ SO4-2 -0.015 Na+ OH- SO4-2 -0.009 +GAS_BINARY_PARAMETERS +H2O(g) CO2(g) 0.19 +H2O(g) H2S(g) 0.19 +H2O(g) H2Sg(g) 0.19 +H2O(g) CH4(g) 0.49 +H2O(g) Mtg(g) 0.49 +H2O(g) Methane(g) 0.49 +H2O(g) N2(g) 0.49 +H2O(g) Ntg(g) 0.49 +H2O(g) Ethane(g) 0.49 +H2O(g) Propane(g) 0.55 EXCHANGE_MASTER_SPECIES - X X- + X X- EXCHANGE_SPECIES X- = X- - log_k 0.0 + log_k 0 Na+ + X- = NaX - log_k 0.0 + log_k 0 K+ + X- = KX - log_k 0.7 - delta_h -4.3 # Jardine & Sparks, 1984 + log_k 0.7 + delta_h -4.3 # Jardine & Sparks, 1984 Li+ + X- = LiX - log_k -0.08 - delta_h 1.4 # Merriam & Thomas, 1956 + log_k -0.08 + delta_h 1.4 # Merriam & Thomas, 1956 - Ca+2 + 2X- = CaX2 - log_k 0.8 - delta_h 7.2 # Van Bladel & Gheyl, 1980 + Ca+2 + 2 X- = CaX2 + log_k 0.8 + delta_h 7.2 # Van Bladel & Gheyl, 1980 - Mg+2 + 2X- = MgX2 - log_k 0.6 - delta_h 7.4 # Laudelout et al., 1968 + Mg+2 + 2 X- = MgX2 + log_k 0.6 + delta_h 7.4 # Laudelout et al., 1968 - Sr+2 + 2X- = SrX2 - log_k 0.91 - delta_h 5.5 # Laudelout et al., 1968 + Sr+2 + 2 X- = SrX2 + log_k 0.91 + delta_h 5.5 # Laudelout et al., 1968 - Ba+2 + 2X- = BaX2 - log_k 0.91 - delta_h 4.5 # Laudelout et al., 1968 + Ba+2 + 2 X- = BaX2 + log_k 0.91 + delta_h 4.5 # Laudelout et al., 1968 - Mn+2 + 2X- = MnX2 - log_k 0.52 + Mn+2 + 2 X- = MnX2 + log_k 0.52 - Fe+2 + 2X- = FeX2 - log_k 0.44 + Fe+2 + 2 X- = FeX2 + log_k 0.44 SURFACE_MASTER_SPECIES - Hfo_s Hfo_sOH - Hfo_w Hfo_wOH + Hfo_s Hfo_sOH + Hfo_w Hfo_wOH SURFACE_SPECIES # All surface data from # Dzombak and Morel, 1990 @@ -812,52 +846,52 @@ SURFACE_SPECIES # strong binding site--Hfo_s, Hfo_sOH = Hfo_sOH - log_k 0.0 + log_k 0 - Hfo_sOH + H+ = Hfo_sOH2+ - log_k 7.29 # = pKa1,int + Hfo_sOH + H+ = Hfo_sOH2+ + log_k 7.29 # = pKa1,int Hfo_sOH = Hfo_sO- + H+ - log_k -8.93 # = -pKa2,int + log_k -8.93 # = -pKa2,int # weak binding site--Hfo_w Hfo_wOH = Hfo_wOH - log_k 0.0 + log_k 0 - Hfo_wOH + H+ = Hfo_wOH2+ - log_k 7.29 # = pKa1,int + Hfo_wOH + H+ = Hfo_wOH2+ + log_k 7.29 # = pKa1,int Hfo_wOH = Hfo_wO- + H+ - log_k -8.93 # = -pKa2,int + log_k -8.93 # = -pKa2,int ############################################### -# CATIONS # +# CATIONS # ############################################### # # Cations from table 10.1 or 10.5 # # Calcium Hfo_sOH + Ca+2 = Hfo_sOHCa+2 - log_k 4.97 + log_k 4.97 Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+ log_k -5.85 # Strontium Hfo_sOH + Sr+2 = Hfo_sOHSr+2 - log_k 5.01 + log_k 5.01 Hfo_wOH + Sr+2 = Hfo_wOSr+ + H+ log_k -6.58 - Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2H+ - log_k -17.60 + Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2 H+ + log_k -17.6 # Barium Hfo_sOH + Ba+2 = Hfo_sOHBa+2 - log_k 5.46 + log_k 5.46 Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+ - log_k -7.2 # table 10.5 + log_k -7.2 # table 10.5 # # Derived constants table 10.5 # @@ -866,10 +900,10 @@ SURFACE_SPECIES log_k -4.6 # Manganese Hfo_sOH + Mn+2 = Hfo_sOMn+ + H+ - log_k -0.4 # table 10.5 + log_k -0.4 # table 10.5 Hfo_wOH + Mn+2 = Hfo_wOMn+ + H+ - log_k -3.5 # table 10.5 + log_k -3.5 # table 10.5 # Iron # Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+ # log_k 0.7 # LFER using table 10.5 @@ -878,17 +912,17 @@ SURFACE_SPECIES # log_k -2.5 # LFER using table 10.5 # Iron, strong site: Appelo, Van der Weiden, Tournassat & Charlet, subm. - Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+ - log_k -0.95 + Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+ + log_k -0.95 # Iron, weak site: Liger et al., GCA 63, 2939, re-optimized for D&M - Hfo_wOH + Fe+2 = Hfo_wOFe+ + H+ - log_k -2.98 + Hfo_wOH + Fe+2 = Hfo_wOFe+ + H+ + log_k -2.98 - Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2H+ - log_k -11.55 + Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2 H+ + log_k -11.55 ############################################### -# ANIONS # +# ANIONS # ############################################### # # Anions from table 10.6 @@ -898,56 +932,54 @@ SURFACE_SPECIES # # Borate Hfo_wOH + B(OH)3 = Hfo_wH2BO3 + H2O - log_k 0.62 + log_k 0.62 # # Anions from table 10.8 # # Sulfate Hfo_wOH + SO4-2 + H+ = Hfo_wSO4- + H2O - log_k 7.78 + log_k 7.78 Hfo_wOH + SO4-2 = Hfo_wOHSO4-2 - log_k 0.79 + log_k 0.79 # # Carbonate: Van Geen et al., 1994 reoptimized for HFO # 0.15 g HFO/L has 0.344 mM sites == 2 g of Van Geen's Goethite/L # Hfo_wOH + CO3-2 + H+ = Hfo_wCO3- + H2O - log_k 12.56 + log_k 12.56 - Hfo_wOH + CO3-2 + 2H+= Hfo_wHCO3 + H2O - log_k 20.62 + Hfo_wOH + CO3-2 + 2 H+ = Hfo_wHCO3 + H2O + log_k 20.62 # # Silicate: Swedlund, P.J. and Webster, J.G., 1999. Water Research 33, 3413-3422. # - Hfo_wOH + H4SiO4 = Hfo_wH3SiO4 + H2O ; log_K 4.28 - Hfo_wOH + H4SiO4 = Hfo_wH2SiO4- + H+ + H2O ; log_K -3.22 - Hfo_wOH + H4SiO4 = Hfo_wHSiO4-2 + 2H+ + H2O ; log_K -11.69 - -END -MEAN GAM -CaCl2 -CaSO4 -CaCO3 -Ca(OH)2 -MgCl2 -MgSO4 -MgCO3 -Mg(OH)2 -NaCl -Na2SO4 -NaHCO3 -Na2CO3 -NaOH -KCl -K2SO4 -KHCO3 -K2CO3 -KOH -HCl -H2SO4 -HBr + Hfo_wOH + H4SiO4 = Hfo_wH3SiO4 + H2O; log_K 4.28 + Hfo_wOH + H4SiO4 = Hfo_wH2SiO4- + H+ + H2O; log_K -3.22 + Hfo_wOH + H4SiO4 = Hfo_wHSiO4-2 + 2 H+ + H2O; log_K -11.69 +MEAN_GAMMAS +CaCl2 Ca+2 1 Cl- 2 +CaSO4 Ca+2 1 SO4-2 1 +CaCO3 Ca+2 1 CO3-2 1 +Ca(OH)2 Ca+2 1 OH- 2 +MgCl2 Mg+2 1 Cl- 2 +MgSO4 Mg+2 1 SO4-2 1 +MgCO3 Mg+2 1 CO3-2 1 +Mg(OH)2 Mg+2 1 OH- 2 +NaCl Na+ 1 Cl- 1 +Na2SO4 Na+ 2 SO4-2 1 +NaHCO3 Na+ 1 HCO3- 1 +Na2CO3 Na+ 2 CO3-2 1 +NaOH Na+ 1 OH- 1 +KCl K+ 1 Cl- 1 +K2SO4 K+ 2 SO4-2 1 +HCO3 K+ 1 HCO3- 1 +K2CO3 K+ 2 CO3-2 1 +KOH K+ 1 OH- 1 +HCl H+ 1 Cl- 1 +H2SO4 H+ 2 SO4-2 1 +HBr H+ 1 Br- 1 END # For the reaction aA + bB = cC + dD, @@ -955,20 +987,21 @@ END # PHREEQC adds the pressure term to log_k: -= delta_v * (P - 1) / (2.3RT). # Vm(A) is volume of A, cm3/mol, P is pressure, atm, R is the gas constant, T is Kelvin. # Gas-pressures and fugacity coefficients are calculated with Peng-Robinson's EOS. -# Binary interaction coefficients from Soreide and Whitson, 1992, FPE 77, 217 are +# These binary interaction coefficients from Soreide and Whitson, 1992, FPE 77, 217 are # hard-coded in calc_PR(): # kij CH4 CO2 H2S N2 # H2O 0.49 0.19 0.19 0.49 +# but are overwritten by the data block GAS_BINARY_PARAMETERS of this file. # ============================================================================================= # The molar volumes of solids are entered with -# -Vm vm cm3/mol +# -Vm vm cm3/mol # vm is the molar volume, cm3/mol (default), but dm3/mol and m3/mol are permitted. # Data for minerals' vm (= MW (g/mol) / rho (g/cm3)) are defined using rho from # Deer, Howie and Zussman, The rock-forming minerals, Longman. # -------------------- # Temperature- and pressure-dependent volumina of aqueous species are calculated with a Redlich- # type equation (cf. Redlich and Meyer, Chem. Rev. 64, 221), from parameters entered with -# -Vm a1 a2 a3 a4 W a0 i1 i2 i3 i4 +# -Vm a1 a2 a3 a4 W a0 i1 i2 i3 i4 # The volume (cm3/mol) is # Vm(T, pb, I) = 41.84 * (a1 * 0.1 + a2 * 100 / (2600 + pb) + a3 / (T - 228) + # a4 * 1e4 / (2600 + pb) / (T - 228) - W * QBrn) @@ -980,18 +1013,31 @@ END # W * QBrn is the energy of solvation, QBrn is the pressure dependence of the Born equation, # W is fitted on measured solution densities. # z is charge of the solute species. -# Av is the Debye-Hückel limiting slope (DH_AV in PHREEQC basic). -# a0 is the ion-size parameter in the extended Debye-Hückel equation: +# Av is the Debye-Hückel limiting slope (DH_AV in PHREEQC basic). +# a0 is the ion-size parameter in the extended Debye-Hückel equation: # f(I^0.5) = I^0.5 / (1 + a0 * DH_B * I^0.5), # a0 = -gamma x for cations, = 0 for anions. # For details, consult ref. 1. +# ============================================================================================= +# The viscosity is calculated with a (modified) Jones-Dole equation: +# viscos / viscos_0 = 1 + A * Sum(0.5 z_i m_i) + fan * Sum(B_i m_i + D_i m_i n_i) +# Parameters are for calculating the B and D terms: +# -viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.570 0 +# # b0 b1 b2 d1 d2 d3 tan +# z_i is absolute charge number, m_i is molality of i +# B_i = b0 + b1 exp(-b2 * tc) +# fan = (2 - tan V_i / V_Cl-), corrects for the volume of anions +# D_i = d1 * exp(-d2 tc) +# n_i = (I^d3 * (1 + fI) + ((z_i^2 + z_i) / 2 · m_i)^d3) / (2 + fI), fI is an ionic strength term. +# For details, consult ref. 5. # -# ref. 1: Appelo, Parkhurst and Post, 2014. Geochim. Cosmochim. Acta 125, 49–67. -# ref. 2: Procedures from ref. 1 using data compiled by Laliberté, 2009, J. Chem. Eng. Data 54, 1725. -# ref. 3: Appelo, 2015, Appl. Geochem. 55, 62–71. +# ref. 1: Appelo, Parkhurst and Post, 2014. Geochim. Cosmochim. Acta 125, 49–67. +# ref. 2: Procedures from ref. 1 using data compiled by Laliberté, 2009, J. Chem. Eng. Data 54, 1725. +# ref. 3: Appelo, 2015, Appl. Geochem. 55, 62–71. # http://www.hydrochemistry.eu/pub/pitzer_db/appendix.zip contains example files # for the high P,T Pitzer model and improvements for Calcite. # ref. 4: Appelo, 2017, Cem. Concr. Res. 101, 102-113. +# ref. 5: Appelo and Parkhurst in prep., for parameters see subroutine viscosity in transport.cpp # # ============================================================================================= # It remains the responsibility of the user to check the calculated results, for example with diff --git a/src/phreeqcinwt/databases/sit.dat b/src/phreeqcinwt/databases/sit.dat index 596a0d3..91e80e4 100644 --- a/src/phreeqcinwt/databases/sit.dat +++ b/src/phreeqcinwt/databases/sit.dat @@ -1,15343 +1,14348 @@ -# PHREEQC database -# Thermodynamic database ANDRA/RWM - THERMOCHIMIE-TDB (www.thermochimie-tdb.com) -# Version 9b0 -# Nom : ThermoChimie project -# BDD Date: 10/8/2015 -# Comment: no comment - -# NAMED_EXPRESSIONS - -# -# formation of O2 from H2O -# 2H2O = O2 + 4H+ + 4e- -# -# Log_K_O2 -# log_k -85.980 -# delta_H 559.526 kJ/mol -# -# -analytic 1.20446E+1 0E+0 -2.9226E+4 0E+0 0E+0 +SOLUTION_SPECIES +# PHREEQC database +# Thermodynamic database ANDRA - NWS - ONDRAF THERMO_CHIMIE (www.thermochimie-tdb.com) +# Version 12a +# Name : ThermoChimie project +# Database date: 22/08/2023 0:00:00 +# Generated by XCheck Tool v5.2.0 +# Comment: tidied with lsp.exe from https://phreeplot.org/lsp/lsp.html +# Redox states modified by David Parkhurst May 18, 2024 +# GFW of S(6) and Si modified by David Parkhurst May 18, 2024 SOLUTION_MASTER_SPECIES - -#element species alk gfw_formula element_gfw -E e- 0 0 0 -Acetate Acetate- 0 Acetate 59.01 -Adipate Adipate-2 0 Adipate 144.07 -Ag Ag+ 0 Ag 107.8682 -Al Al+3 0 Al 26.9815 -Alkalinity CO3-2 1 Ca0.5(CO3)0.5 50.05 -Am Am+3 0 Am 243 -Am(+2) Am+2 0 Am 243 -Am(+3) Am+3 0 Am 243 -Am(+4) Am+4 0 Am 243 -Am(+5) AmO2+ 0 Am 243 -Am(+6) AmO2+2 0 Am 243 -As AsO4-3 0 As 74.9216 -As(+3) H3(AsO3) 0 As 74.9216 -As(+5) AsO4-3 2 As 74.9216 -B B(OH)4- 1 B 10.811 -Ba Ba+2 0 Ba 137.327 -Br Br- 0 Br 79.904 -C CO3-2 2 CO3 12.011 -C(+4) CO3-2 2 CO3 12.011 -C(-4) CH4 0 CH4 12.011 -Ca Ca+2 0 Ca 40.078 -Cd Cd+2 0 Cd 112.411 -Cit Cit-3 0 Cit 189.1013 -Cl Cl- 0 Cl 35.4527 -Cm Cm+3 0 Cm 247 -Cn Cn- 0 Cn 26.018 -Co Co+2 0 Co 58.9332 -Cr CrO4-2 0 CrO4 51.9961 -Cr(+2) Cr+2 0 Cr 51.9961 -Cr(+3) Cr+3 -1 Cr 51.9961 -Cr(+6) CrO4-2 1 CrO4 51.9961 -Cs Cs+ 0 Cs 132.9054 -Cu Cu+2 0 Cu 63.546 -Cu(+1) Cu+ 0 Cu 63.546 -Cu(+2) Cu+2 0 Cu 63.546 -Edta Edta-4 0 Edta 288.2134 -Eu Eu+3 0 Eu 151.965 -Eu(+2) Eu+2 0 Eu 151.965 -Eu(+3) Eu+3 0 Eu 151.965 -F F- 0 F 18.9984 -Fe Fe+2 0 Fe 55.847 -Fe(+2) Fe+2 0 Fe 55.847 -Fe(+3) Fe+3 0 Fe 55.847 -Glu HGlu- 0 Glu 195.1459 -H H+ -1 H 1.0079 -H(+1) H+ -1 H 1.0079 -H(0) H2 0 H 1.0079 -Hf Hf+4 -4 Hf 178.49 -Hg Hg+2 0 Hg 200.59 -Hg(+2) Hg+2 0 Hg 200.59 -Hg(+1) Hg2+2 0 Hg2 401.18 -Ho Ho+3 0 Ho 164.9303 -I I- 0 I 126.9045 -I(+5) IO3- 0 I 126.9045 -I(-1) I- 0 I 126.9045 -Isa HIsa- 0 HIsa 180.1548 -K K+ 0 K 39.0983 -Li Li+ 0 Li 6.941 -Malonate Malonate-2 0 Malonate 63.99 -Mg Mg+2 0 Mg 24.305 -Mn Mn+2 0 Mn 54.938 -Mo MoO4-2 0 Mo 95.94 -N NO3- 0 N 14.0067 -N(+5) NO3- 0 N 14.0067 -N(-3) NH3 1 N 14.0067 -Na Na+ 0 Na 22.9898 -Nb Nb(OH)6- 0 Nb 92.9064 -Ni Ni+2 0 Ni 58.69 -Np NpO2+2 0 Np 237.048 -Np(+3) Np+3 0 Np 237.048 -Np(+4) Np+4 0 Np 237.048 -Np(+5) NpO2+ 0 Np 237.048 -Np(+6) NpO2+2 0 Np 237.048 -Nta Nta-3 0 Nta 188.1165 -O H2O 0 O 15.999 -O(0) O2 0 O 15.9994 -O(-2) H2O 0 O 15.9994 -Ox Ox-2 0 Ox 88.0196 -P H2(PO4)- 1 P 30.9738 -Pa Pa+4 0 Pa 231.0359 -Pa(+4) Pa+4 0 Pa 231.0359 -Pa(+5) PaO2+ 0 Pa 231.0359 -Pb Pb+2 0 Pb 207.2 -Pd Pd+2 -2 Pd 106.42 -Phthalat Phthalat-2 0 Phthalat 164.084 -Pu PuO2+2 0 Pu 244 -Pu(+3) Pu+3 0 Pu 244 -Pu(+4) Pu+4 0 Pu 244 -Pu(+5) PuO2+ 0 Pu 244 -Pu(+6) PuO2+2 0 Pu 244 -Pyrophos Pyrophos-4 0 Pyrophos 173.95 -Ra Ra+2 0 Ra 226.025 -Rb Rb+ 0 Rb 85.4678 -S SO4-2 0 SO4 32.066 -S(+2) S2O3-2 0 S 32.066 -S(+3) S2O4-2 0 S2O4-2 128.128 -S(+4) SO3-2 0 S 32.066 -S(+6) SO4-2 0 SO4 32.066 -S(-2) HS- 1 S 32.066 -Sb Sb(OH)3 0 Sb 121.76 -Sb(+3) Sb(OH)3 0 Sb 121.76 -Sb(+5) Sb(OH)5 0 Sb 121.76 -Scn Scn- 0 Scn 58.084 -Se SeO4-2 0 Se 78.96 -Se(+4) SeO3-2 0 Se 78.96 -Se(+6) SeO4-2 0 Se 78.96 -Se(-2) HSe- 0 Se 78.96 -Si H4(SiO4) 0 Si 28.0855 -Sm Sm+3 0 Sm 150.36 -Sn Sn+2 -1 Sn 118.71 -Sn(+2) Sn+2 -1 Sn 118.71 -Sn(+4) Sn+4 -4 Sn 118.71 -Sr Sr+2 0 Sr 87.62 -Suberate Suberate-2 0 Suberate 170.16 -Succinat Succinat-2 0 Succinat 116.07 -Tc TcO(OH)2 0 Tc 98 -Tc(+4) TcO(OH)2 0 Tc 98 -Tc(+6) TcO4-2 0 Tc 98 -Tc(+7) TcO4- 0 Tc 98 -Th Th+4 -3 Th 232.0381 -U UO2+2 0 U 238.0289 -U(+3) U+3 0 U 238.0289 -U(+4) U+4 0 U 238.0289 -U(+5) UO2+ 0 U 238.0289 -U(+6) UO2+2 0 U 238.0289 -Zn Zn+2 0 Zn 65.39 -Zr Zr+4 -4 Zr 91.22 - +#element species alk gfw_formula element_gfw +E e- 1 0 0 +# DLP: Set Alkalinity to 1 to account for non-master species with e- in equations +Alkalinity CO3-2 1 Ca0.5(CO3)0.5 50.0436 +Adipate Adipate-2 1 Adipate 144.0700 +Acetate Acetate- 1 Acetate 59.0100 +Ag Ag+ -2 Ag 107.8682 +Al Al+3 0 Al 26.9815 +Am Am+3 0 Am 243.0000 +Am(+3) Am+3 0 Am 243.0000 +Am(+2) Am+2 0 Am 243.0000 +Am(+4) Am+4 0 Am 243.0000 +Am(+5) AmO2+ 0 Am 243.0000 +Am(+6) AmO2+2 0 Am 243.0000 +As AsO4-3 2 As 74.9216 +As(+5) AsO4-3 2 As 74.9216 +As(+3) H3(AsO3) 0 As 74.9216 +B B(OH)4- 1 B 10.8110 +Ba Ba+2 0 Ba 137.3270 +Be Be+2 0 Be 9.0122 +Br Br- 0 Br 79.9040 +C CO3-2 2 C 12.0110 +C(2) CO 0 C # DLP +C(+4) CO3-2 2 C 12.0110 +C(-4) CH4 0 C 12.0110 +Ca Ca+2 0 Ca 40.0780 +Cd Cd+2 -1 Cd 112.4110 +Cit Cit-3 1 Cit 189.1013 +Cl Cl- 0 Cl 35.4527 +Cl(-1) Cl- 0 Cl # DLP +Cl(0) Cl2 0 Cl # DLP +Cl(7) ClO4- 0 Cl # DLP +Cm Cm+3 0 Cm 247.0000 +Co Co+2 0 Co 58.9332 +Cr CrO4-2 1 Cr 51.9961 +Cr(+6) CrO4-2 1 Cr 51.9961 +Cr(+2) Cr+2 -1 Cr 51.9961 +Cr(+3) Cr+3 2 Cr 51.9961 +Cs Cs+ 0 Cs 132.9054 +Cu Cu+2 0 Cu 63.5460 +Cu(+2) Cu+2 0 Cu 63.5460 +Cu(+1) Cu+ -2 Cu 63.5460 +Edta Edta-4 2 Edta 288.2134 +Eu Eu+3 0 Eu 151.9650 +Eu(+3) Eu+3 0 Eu 151.9650 +Eu(+2) Eu+2 0 Eu 151.9650 +F F- 0 F 18.9984 +Fe Fe+2 0 Fe 55.8470 +Fe(+2) Fe+2 0 Fe 55.8470 +Fe(+3) Fe+3 -2 Fe 55.8470 +Glu HGlu- 0 Glu 194.1380 +H H+ -1 H 1.0079 +H(+1) H+ -1 H 1.0079 +H(0) H2 0 H 1.0079 +Hf Hf+4 -4 Hf 178.4900 +Hg Hg+2 -2 Hg 200.5900 +Hg(+2) Hg+2 -2 Hg 200.5900 +Hg(+1) Hg2+2 0 Hg 200.5900 +Ho Ho+3 0 Ho 164.9303 +I I- 0 I 126.9045 +I(-1) I- 0 I 126.9045 +I(1) IO- 0 I # DLP +I(+5) IO3- 0 I 126.9045 +I(7) IO4- 0 I # DLP +Isa HIsa- 0 Isa 178.1421 +K K+ 0 K 39.0983 +Li Li+ 0 Li 6.9410 +Malonate Malonate-2 1 Malonate 102.0464 +Mg Mg+2 0 Mg 24.3050 +Mn Mn+2 0 Mn 54.9380 +Mn(+2) Mn+2 0 Mn # DLP +Mn(+3) Mn+3 0 Mn # DLP +Mn(+5) MnO4-3 0 Mn # DLP +Mn(+6) MnO4-2 0 Mn # DLP +Mn(+7) MnO4- 0 Mn # DLP +Mo MoO4-2 0 Mo 95.9400 +Mo(6) MoO4-2 0 Mo # DLP +Mo(3) Mo+3 0 Mo # DLP +N NO3- 0 N 14.0067 +N(+5) NO3- 0 N 14.0067 +N(-3) NH3 1 N 14.0067 +Na Na+ 0 Na 22.9898 +Nb Nb(OH)6- 1 Nb 92.9064 +Ni Ni+2 0 Ni 58.6900 +Np NpO2+2 0 Np 237.0480 +Np(+6) NpO2+2 0 Np 237.0480 +Np(+3) Np+3 0 Np 237.0480 +Np(+4) Np+4 -3 Np 237.0480 +Np(+5) NpO2+ 0 Np 237.0480 +Nta Nta-3 1 Nta 188.1165 +O H2O 0 O 15.9994 +O(-2) H2O 0 O 15.9994 +O(0) O2 0 O 15.9994 +Ox Ox-2 0 Ox 88.0196 +P H2(PO4)- 0 P 30.9738 +Pa Pa+4 -3 Pa 231.0359 +Pa(+4) Pa+4 -3 Pa 231.0359 +Pa(+5) PaO2+ 0 Pa 231.0359 +Pb Pb+2 -1 Pb 207.2000 +Pd Pd+2 -4 Pd 106.4200 +Phthalat Phthalat-2 2 Phthalat 164.0840 +Pu PuO2+2 0 Pu 244.0000 +Pu(+6) PuO2+2 0 Pu 244.0000 +Pu(+3) Pu+3 0 Pu 244.0000 +Pu(+4) Pu+4 -3 Pu 244.0000 +Pu(+5) PuO2+ -1 Pu 244.0000 +Pyrophos Pyrophos-4 2 Pyrophos 173.9500 +Ra Ra+2 0 Ra 226.0250 +Rb Rb+ 0 Rb 85.4678 +S SO4-2 0 S 32.0660 +S(+6) SO4-2 0 SO4 32.0660 # DLP +S(-2) HS- 1 S 32.0660 +S(+2) S2O3-2 0 S 32.0660 +S(+3) S2O4-2 0 S 32.0660 +S(+4) SO3-2 1 S 32.0660 +S(8) HSO5- 0 S # DLP +Sb Sb(OH)3 0 Sb 121.7600 +Sb(+3) Sb(OH)3 0 Sb 121.7600 +Sb(+5) Sb(OH)5 -6 Sb 121.7600 +Se SeO4-2 0 Se 78.9600 +Se(+6) SeO4-2 0 Se 78.9600 +Se(-2) HSe- -1 Se 78.9600 +Se(+4) SeO3-2 1 Se 78.9600 +Si H4(SiO4) 0 SiO2 28.0855 # DLP +Sm Sm+3 0 Sm 150.3600 +Sn Sn+2 -2 Sn 118.7100 +Sn(+2) Sn+2 -2 Sn 118.7100 +Sn(+4) Sn+4 -4 Sn 118.7100 +Sr Sr+2 0 Sr 87.6200 +Succinat Succinat-2 1 Succinat 116.0700 +Suberate Suberate-2 1 Suberate 172.1804 +Tc TcO(OH)2 0 Tc 98.0000 +Tc(+4) TcO(OH)2 0 Tc 98.0000 +Tc(+7) TcO4- 0 Tc 98.0000 +Tc(+6) TcO4-2 0 Tc 98.0000 +Th Th+4 0 Th 232.0381 +U UO2+2 0 U 238.0289 +U(+6) UO2+2 0 U 238.0289 +U(+3) U+3 0 U 238.0289 +U(+4) U+4 -3 U 238.0289 +U(+5) UO2+ 0 U 238.0289 +Zn Zn+2 0 Zn 65.3900 +Zr Zr+4 -4 Zr 91.2200 SIT -epsilon -(NpO2)2(OH)2+2 Cl- -0.248 -(NpO2)2(OH)2+2 ClO4- 0.57 -(NpO2)2CO3(OH)3- Na+ 0 -(NpO2)3(CO3)6-6 Na+ -0.46 -(NpO2)3(OH)5+ Cl- -0.226 -(NpO2)3(OH)5+ ClO4- 0.45 -(PuO2)2(OH)2+2 Cl- -0.248 -(PuO2)3(CO3)6-6 Na+ -0.46 -(UO2)2(CO3)(OH)3- Na+ 0 -(UO2)2(NpO2)(CO3)6-6 Na+ 0.09 -(UO2)2(OH)2+2 Cl- 0.69 -(UO2)2(OH)2+2 ClO4- 0.57 -(UO2)2(OH)2+2 NO3- 0.49 -(UO2)3(CO3)6-6 Na+ 0.37 -(UO2)3(OH)4+2 Cl- 0.5 -(UO2)3(OH)5+ Cl- 0.81 -Ag(SeO3)- Na+ -0.024 -Ag+ Cl- 0.031 -Al(OH)+2 Cl- 0.09 -Al(OH)2+ Cl- 0.09 -Al+3 Cl- 0.33 -Am(CO3)+ Cl- 0.129 -Am(CO3)+ ClO4- 0.17 -Am(CO3)2- Na+ -0.14 -Am(CO3)3-3 Na+ -0.23 -Am(CO3)5-6 Na+ -0.3 -Am(Edta)- Na+ 0.01 -Am(H2PO4)+2 Cl- 0.191 -Am(H2PO4)+2 ClO4- 0.39 -Am(NO3)+2 Cl- 0.191 -Am(NO3)+2 ClO4- 0.39 -Am(OH)+2 Cl- -0.04 -Am(OH)+2 ClO4- 0.39 -Am(OH)2+ Cl- -0.29 -Am(OH)2+ ClO4- 0.17 -Am(Ox)+ ClO4- 0.08 -Am(Ox)2- Na+ -0.21 -Am(Ox)3-3 Na+ -0.23 -Am(SO4)+ Cl- 0.157 -Am(SO4)+ ClO4- 0.22 -Am(SO4)2- Na+ -0.05 -Am+3 Cl- 0.23 -Am+3 ClO4- 0.49 -AmCl+2 Cl- 0.191 -AmCl+2 ClO4- 0.39 -AmCl2+ Cl- 0.129 -AmF+2 Cl- 0.191 -AmF+2 ClO4- 0.39 -AmF2+ Cl- 0.129 -AmF2+ ClO4- 0.17 -AmO2(CO3)- Na+ -0.18 -AmO2(CO3)2-3 Na+ -0.33 -AmO2(CO3)3-5 Na+ -0.53 -AmO2+ Cl- 0.09 -AmO2+2 Cl- 0.39 -B(OH)4- Na+ -0.07 -Ba+2 Cl- 0.07 -Ba+2 ClO4- 0.15 -Ba+2 NO3- -0.28 -Br- Na+ 0.05 -CO3-2 Na+ -0.08 -Ca+2 Cl- 0.14 -Ca+2 ClO4- 0.27 -Ca+2 NO3- 0.02 -Ca4Th(OH)8+4 Cl- -0.01 -Ca4Th(OH)8+4 ClO4- 0.21 -Cd(HCO3)+ Cl- 0.2 -Cd+2 Cl- 0.16 -Cd+2 NO3- 0.09 -CdCl+ Cl- 0.127 -CdCl+ ClO4- 0.25 -CdI+ Cl- 0.136 -CdI+ ClO4- 0.27 -Cit-3 Na+ -0.076 -Cl- Na+ 0.03 -Cm(CO3)2- Na+ 0.34 -Cm(CO3)3-3 Na+ 0.16 -Cm(H2PO4)+2 Cl- 0.191 -Cm(H2PO4)+2 ClO4- 0.39 -Cm(OH)+2 Cl- -0.04 -Cm(OH)+2 ClO4- 0.39 -Cm(OH)2+ Cl- -0.27 -Cm(OH)2+ ClO4- 0.17 -Cm(SO4)2- Na+ -0.05 -Cm+3 Cl- 0.23 -Cm+3 ClO4- 0.49 -CmCO3+ Cl- 0.35 -CmCl+2 Cl- 0.191 -CmCl+2 ClO4- 0.39 -CmCl2+ Cl- 0.129 -CmF+2 ClO4- 0.39 -CmF2+ ClO4- 0.17 -CmNO3+2 ClO4- 0.39 -CmSO4+ Cl- 0.157 -CmSO4+ ClO4- 0.22 -Cn- Na+ 0.07 -Co+2 Cl- 0.16 -Co+2 ClO4- 0.34 -Co+2 NO3- 0.14 -Cr+3 Cl- 0.3 -Cr+3 NO3- 0.27 -Cu+ ClO4- 0.11 -Cu+2 Cl- 0.08 -Cu+2 ClO4- 0.32 -Cu+2 NO3- 0.11 -Edta-4 Na+ 0.32 -Eu(CO3)+ Cl- 0.129 -Eu(CO3)+ ClO4- 0.17 -Eu(CO3)2- Na+ -0.14 -Eu(CO3)3-3 Na+ -0.23 -Eu(H2PO4)+2 Cl- 0.191 -Eu(H2PO4)+2 ClO4- 0.39 -Eu(NO3)+2 Cl- 0.191 -Eu(NO3)+2 ClO4- 0.39 -Eu(OH)+2 Cl- -0.04 -Eu(OH)+2 ClO4- 0.39 -Eu(OH)2+ Cl- -0.29 -Eu(OH)2+ ClO4- 0.17 -Eu(SO4)+ Cl- 0.157 -Eu(SO4)+ ClO4- 0.22 -Eu(SO4)2- Na+ -0.05 -Eu+3 Cl- 0.23 -Eu+3 ClO4- 0.49 -EuCl+2 Cl- 0.191 -EuCl+2 ClO4- 0.39 -EuCl2+ Cl- 0.129 -EuF+2 Cl- 0.191 -EuF2+ Cl- 0.129 -F- Na+ 0.02 -Fe(OH)+2 Cl- 0.186 -Fe+3 ClO4- 0.56 -Fe+3 NO3- 0.42 -H(Cit)-2 Na+ -0.04 -H(Edta)-3 Na+ -0.1 -H(Ox)- Na+ -0.07 -H(SO4)- Na+ -0.01 -H(SeO3)- Na+ 0.02 -H(SeO4)- Na+ 0 -H+ Cl- 0.12 -H+ ClO4- 0.14 -H+ NO3- 0.07 -H2(Cit)- Na+ -0.05 -H2(Edta)-2 Na+ -0.37 -H2(PO4)- Na+ -0.08 -H2(SiO4)-2 Na+ -0.1 -H3(Edta)- Na+ -0.33 -H3(SiO4)- Na+ -0.08 -H5(Edta)+ Cl- -0.23 -H5(Edta)+ ClO4- -0.23 -H5(Edta)+ NO3- -0.23 -H6(Edta)+2 Cl- -0.2 -H6(Edta)+2 ClO4- -0.2 -H6(Edta)+2 NO3- -0.2 -HCO3- Na+ 0 -HGlu- Na+ -0.07 -HIsa- Na+ -0.07 -HMoO4- Na+ -0.099 -HPO4-2 Na+ -0.15 -Hf(NO3)2+2 ClO4- 0.84 -Hf(OH)+3 ClO4- 0.57 -Hf+4 Cl- 0.89 -Hf+4 ClO4- 0.89 -Hf+4 NO3- 0.89 -HfCl+3 ClO4- 0.87 -HfCl2+2 ClO4- 0.84 -HfF+3 ClO4- 0.63 -HfF2+2 ClO4- 0.47 -HfNO3+3 ClO4- 0.91 -Hg(SeO3)2-2 Na+ 0.008 -Hg+2 Cl- 0.168 -Hg2+2 Cl- 0.054 -Ho(CO3)+ Cl- 0.129 -Ho(CO3)+ ClO4- 0.17 -Ho(CO3)2- Na+ -0.14 -Ho(CO3)3-3 Na+ -0.23 -Ho(H2PO4)+2 Cl- 0.191 -Ho(H2PO4)+2 ClO4- 0.39 -Ho(NO3)+2 Cl- 0.191 -Ho(NO3)+2 ClO4- 0.39 -Ho(OH)+2 Cl- -0.04 -Ho(OH)+2 ClO4- 0.39 -Ho(OH)2+ Cl- -0.29 -Ho(OH)2+ ClO4- 0.17 -Ho(SO4)+ Cl- 0.157 -Ho(SO4)+ ClO4- 0.22 -Ho(SO4)2- Na+ -0.05 -Ho+3 Cl- 0.23 -Ho+3 ClO4- 0.49 -HoCl+2 Cl- 0.191 -HoCl+2 ClO4- 0.39 -HoCl2+ Cl- 0.129 -HoF+2 Cl- 0.191 -HoF+2 ClO4- 0.39 -HoF2+ Cl- 0.129 -HoF2+ ClO4- 0.17 -I- Na+ 0.08 -IO3- Na+ -0.06 -K+ Cl- 0 -K+ NO3- -0.11 -Li+ Cl- 0.1 -Li+ ClO4- 0.15 -Li+ NO3- 0.08 -Mg(Cit)- Na+ 0.03 -Mg(Edta)-2 Na+ -0.01 -Mg(HEdta)- Na+ 0.11 -Mg(Ox)2-2 Na+ -0.15 -Mg+2 Cl- 0.19 -Mg+2 ClO4- 0.33 -Mg+2 NO3- 0.17 -Mn+2 Cl- 0.13 -Mo7O21(OH)3-3 Na+ -1.455 -Mo7O22(OH)2-4 Na+ -1.346 -Mo7O23(OH)-5 Na+ -1.145 -Mo7O24-6 Na+ -1.265 -MoO4-2 Na+ 0.034 -NH4+ Cl- -0.01 -NH4+ ClO4- -0.08 -NH4+ NO3- -0.06 -NO3- Na+ -0.04 -Na+ ClO4- 0.01 -Ni(CO3)2-2 Na+ 0.003 -Ni(Cit)- Na+ 0.22 -Ni(Cn)4-2 Na+ 0.185 -Ni(Cn)5-3 Na+ 0.25 -Ni(HCO3)+ Cl- 0.085 -Ni(NO3)+ Cl- 0.06 -Ni(NO3)+ ClO4- 0.44 -Ni(OH)+ Cl- -0.01 -Ni(OH)+ ClO4- 0.14 -Ni(OH)3- Na+ 0.88 -Ni(SO4)2-2 Na+ -0.263 -Ni(Scn)+ Cl- 0.11 -Ni(Scn)+ ClO4- 0.31 -Ni(Scn)3- Na+ 0.66 -Ni+2 Cl- 0.17 -Ni+2 ClO4- 0.37 -Ni+2 NO3- 0.182 -Ni4(OH)4+4 ClO4- 1.08 -NiCl+ Cl- 0.1 -NiCl+ ClO4- 0.34 -NiF+ Cl- 0.065 -NiF+ ClO4- 0.34 -NiHS+ ClO4- -0.85 -Np(CO3)(OH)3- Na+ -0.11 -Np(CO3)+ Cl- 0.129 -Np(CO3)+ ClO4- 0.17 -Np(CO3)2- Na+ -0.14 -Np(CO3)3-3 Na+ -0.23 -Np(CO3)4-4 Na+ -0.09 -Np(CO3)5-6 Na+ 0 -Np(NO3)+3 ClO4- 0.71 -Np(OH)+2 Cl- -0.04 -Np(OH)+2 ClO4- 0.39 -Np(OH)+3 Cl- 0.2 -Np(OH)+3 ClO4- 0.5 -Np(OH)2+ Cl- -0.29 -Np(OH)2+ ClO4- 0.17 -Np(OH)2+2 Cl- 0.1 -Np(OH)3+ Cl- 0.05 -Np(OH)4(CO3)-2 Na+ -0.13 -Np(SO4)+ Cl- 0.157 -Np(SO4)+ ClO4- 0.22 -Np(SO4)+2 Cl- 0.232 -Np(SO4)+2 ClO4- 0.48 -Np(SO4)2- Na+ -0.05 -Np+3 Cl- 0.23 -Np+3 ClO4- 0.49 -Np+4 Cl- 0.4 -Np+4 ClO4- 0.84 -NpCl+3 ClO4- 0.81 -NpF+3 ClO4- 0.58 -NpF2+2 Cl- 0.186 -NpF2+2 ClO4- 0.38 -NpF3+ Cl- 0.1 -NpI+3 ClO4- 0.77 -NpO2(CO3)- Na+ -0.18 -NpO2(CO3)2-2 Na+ -0.02 -NpO2(CO3)2-3 Na+ -0.33 -NpO2(CO3)2OH-4 Na+ -0.4 -NpO2(CO3)3-4 Na+ -0.4 -NpO2(CO3)3-5 Na+ -0.53 -NpO2(Cit)-2 Na+ -0.06 -NpO2(Edta)-3 Na+ 0.2 -NpO2(HEdta)-2 Na+ 0.07 -NpO2(HPO4)2-2 Na+ -0.1 -NpO2(NO3)+ Cl- 0.22 -NpO2(NO3)+ ClO4- 0.33 -NpO2(OH)+ Cl- -0.003 -NpO2(OH)+ ClO4- -0.06 -NpO2(OH)2- Na+ -0.01 -NpO2(Ox)- Na+ -0.4 -NpO2(Ox)2-3 Na+ -0.3 -NpO2(SO4)- Na+ -0.74 -NpO2(SO4)2-2 Na+ -0.12 -NpO2+ Cl- 0.09 -NpO2+ ClO4- 0.25 -NpO2+2 Cl- 0.223 -NpO2+2 ClO4- 0.46 -NpO2Cl+ Cl- 0.318 -NpO2Cl+ ClO4- 0.5 -NpO2F+ Cl- 0.197 -NpO2F+ ClO4- 0.29 -OH- Na+ 0.04 -Ox-2 Na+ -0.08 -PO4-3 Na+ -0.25 -Pa+4 Cl- 0.3 -PaO(OH)+2 Cl- 0.13 -Pb(OH)3- Na+ 0.02 -Pb(SO4)2-2 Na+ -0.52 -Pb+2 Cl- 0.081 -Pb+2 ClO4- 0.15 -Pb+2 NO3- -0.2 -PbF+ Cl- 0.14 -Pd(SO4)2-2 Na+ -0.12 -Pd+2 Cl- 0.16 -PdBr+ Cl- 0.175 -PdBr3- Na+ 0 -PdBr4-2 Na+ 0.1 -PdCl+ Cl- 0.175 -PdCl3- Na+ 0 -PdCl4-2 Na+ 0.1 -Pu(CO3)+ Cl- 0.129 -Pu(CO3)+ ClO4- 0.17 -Pu(CO3)2- Na+ -0.14 -Pu(CO3)3-3 Na+ -0.23 -Pu(CO3)4-4 Na+ -0.09 -Pu(CO3)5-6 Na+ 0 -Pu(NO3)+2 Cl- 0.191 -Pu(NO3)+2 ClO4- 0.39 -Pu(NO3)+3 ClO4- 0.59 -Pu(OH)+2 Cl- -0.04 -Pu(OH)+2 ClO4- 0.39 -Pu(OH)+3 Cl- 0.2 -Pu(OH)+3 ClO4- 0.5 -Pu(OH)2+ Cl- -0.29 -Pu(OH)2+ ClO4- 0.17 -Pu(OH)2+2 Cl- 0.1 -Pu(OH)3+ Cl- 0.05 -Pu(SO4)+ Cl- 0.157 -Pu(SO4)+ ClO4- 0.22 -Pu(SO4)+2 Cl- 0.232 -Pu(SO4)+2 ClO4- 0.36 -Pu(SO4)2- Na+ -0.05 -Pu+3 Cl- 0.23 -Pu+3 ClO4- 0.49 -Pu+4 Cl- 0.37 -Pu+4 ClO4- 0.82 -PuBr+3 Cl- 0.1 -PuBr+3 ClO4- 0.58 -PuCl+3 Cl- 0.1 -PuCl+3 ClO4- 0.85 -PuF+3 Cl- 0.1 -PuF+3 ClO4- 0.56 -PuF2+2 Cl- 0.177 -PuF2+2 ClO4- 0.36 -PuF3+ Cl- 0.1 -PuI+2 Cl- 0.191 -PuI+2 ClO4- 0.39 -PuI+3 Cl- 0.1 -PuO2(CO3)2-2 Na+ -0.7 -PuO2(CO3)3-4 Na+ -0.2 -PuO2(CO3)3-5 Na+ -0.53 -PuO2(OH)+ Cl- -0.003 -PuO2(SO4)- Na+ -0.74 -PuO2(SO4)2-2 Na+ -0.12 -PuO2+ Cl- 0.129 -PuO2+ ClO4- 0.24 -PuO2+2 Cl- 0.223 -PuO2+2 ClO4- 0.46 -PuO2CO3- Na+ -0.18 -PuO2Cl+ Cl- 0.318 -PuO2Cl+ ClO4- 0.5 -PuO2F+ Cl- 0.197 -PuO2F+ ClO4- 0.29 -PuO2F3- Na+ 0 -PuO2NO3+ Cl- 0.22 -PuO2NO3+ ClO4- 0.33 -SO3-2 Na+ -0.08 -SO4-2 Na+ -0.12 -Scn- Na+ 0.05 -SeO3-2 Na+ -0.08 -SeO4-2 Na+ -0.12 -Si2O2(OH)5- Na+ -0.08 -Si2O3(OH)4-2 Na+ -0.15 -Si3O5(OH)5-3 Na+ -0.25 -Si3O6(OH)3-3 Na+ -0.25 -Si4O8(OH)4-4 Na+ -0.26 -Sm(CO3)+ Cl- 0.129 -Sm(CO3)+ ClO4- 0.17 -Sm(CO3)2- Na+ -0.14 -Sm(CO3)3-3 Na+ -0.23 -Sm(H2PO4)+2 Cl- 0.191 -Sm(H2PO4)+2 ClO4- 0.39 -Sm(NO3)+2 Cl- 0.191 -Sm(NO3)+2 ClO4- 0.39 -Sm(OH)+2 Cl- -0.04 -Sm(OH)+2 ClO4- 0.39 -Sm(OH)2+ Cl- -0.29 -Sm(OH)2+ ClO4- 0.17 -Sm(SO4)+ Cl- 0.157 -Sm(SO4)+ ClO4- 0.22 -Sm(SO4)2- Na+ -0.05 -Sm+3 Cl- 0.23 -Sm+3 ClO4- 0.49 -SmCl+2 Cl- 0.191 -SmCl+2 ClO4- 0.39 -SmF+2 Cl- 0.191 -SmF+2 ClO4- 0.39 -Sn(OH)+ ClO4- -0.07 -Sn(OH)3- Na+ 0.22 -Sn+2 Cl- 0.14 -Sn+2 ClO4- 0.19 -Sn+4 ClO4- 0.7 -Sn3(OH)4+2 ClO4- -0.02 -SnBr+ ClO4- 0.17 -SnBr3- Na+ 0.16 -SnCl+ ClO4- 0.08 -SnCl3- Na+ 0.04 -SnF+ ClO4- 0.14 -Th(CO3)5-6 Na+ -0.3 -Th(H2PO4)+3 ClO4- 0.5 -Th(H2PO4)2+2 ClO4- 0.4 -Th(H3PO4)(H2PO4)+3 ClO4- 0.5 -Th(H3PO4)+4 ClO4- 0.7 -Th(NO3)+3 ClO4- 0.56 -Th(NO3)+3 NO3- 0.56 -Th(NO3)2+2 ClO4- 0.43 -Th(NO3)2+2 NO3- 0.43 -Th(OH)(CO3)4-5 Na+ -0.22 -Th(OH)+3 Cl- 0.19 -Th(OH)+3 ClO4- 0.48 -Th(OH)+3 NO3- 0.2 -Th(OH)2(CO3)2-2 Na+ -0.1 -Th(OH)2+2 Cl- 0.13 -Th(OH)2+2 ClO4- 0.33 -Th(OH)2+2 NO3- 0.1 -Th(OH)3(CO3)- Na+ -0.05 -Th(OH)3+ Cl- 0.06 -Th(OH)3+ ClO4- 0.15 -Th(OH)3+ NO3- 0.05 -Th(OH)4(CO3)-2 Na+ -0.1 -Th(SO4)+2 Cl- 0.14 -Th(SO4)+2 ClO4- 0.3 -Th(SO4)3-2 Na+ -0.091 -Th+4 Cl- 0.7 -Th+4 ClO4- 0.7 -Th+4 NO3- 0.7 -Th2(OH)2+6 Cl- 0.4 -Th2(OH)2+6 ClO4- 1.22 -Th2(OH)2+6 NO3- 0.69 -Th2(OH)3+5 Cl- 0.29 -Th2(OH)3+5 ClO4- 0.91 -Th2(OH)3+5 NO3- 0.69 -Th4(OH)12+4 Cl- 0.25 -Th4(OH)12+4 ClO4- 0.56 -Th4(OH)12+4 NO3- 0.42 -Th4(OH)8+8 Cl- 0.7 -Th4(OH)8+8 ClO4- 1.69 -Th4(OH)8+8 NO3- 1.59 -Th6(OH)14+10 Cl- 0.83 -Th6(OH)14+10 ClO4- 2.2 -Th6(OH)14+10 NO3- 2.9 -Th6(OH)15+9 Cl- 0.72 -Th6(OH)15+9 ClO4- 1.85 -Th6(OH)15+9 NO3- 2.2 -ThCl+3 Cl- 0.62 -ThCl+3 ClO4- 0.62 -ThF+3 ClO4- 0.48 -ThF+3 NO3- 0.25 -ThF2+2 ClO4- 0.3 -ThF2+2 NO3- 0.15 -ThF3+ ClO4- 0.1 -ThF3+ NO3- 0 -U(CO3)4-4 Na+ -0.09 -U(CO3)5-6 Na+ -0.3 -U(NO3)+3 ClO4- 0.62 -U(NO3)2+2 Cl- 0.236 -U(NO3)2+2 ClO4- 0.49 -U(OH)+3 Cl- 0.2 -U(OH)+3 ClO4- 0.48 -U(OH)2+2 Cl- 0.1 -U(OH)3+ Cl- 0.05 -U(SO4)+2 Cl- 0.149 -U(SO4)+2 ClO4- 0.3 -U+3 Cl- 0.23 -U+3 ClO4- 0.49 -U+4 Cl- 0.36 -U+4 ClO4- 0.76 -UBr+3 ClO4- 0.52 -UCl+3 Cl- 0.1 -UCl+3 ClO4- 0.5 -UF+3 Cl- 0.1 -UF+3 ClO4- 0.48 -UF2+2 Cl- 0.149 -UF2+2 ClO4- 0.3 -UF3+ Cl- 0.1 -UF3+ ClO4- 0.1 -UI+3 ClO4- 0.55 -UI+3 NO3- 0.56 -UO2(CO3)2-2 Na+ -0.02 -UO2(CO3)3-4 Na+ -0.01 -UO2(CO3)3-5 Na+ -0.62 -UO2(Cit)- Na+ -0.11 -UO2(NO3)+ Cl- 0.22 -UO2(NO3)+ ClO4- 0.33 -UO2(OH)+ Cl- -0.003 -UO2(OH)+ ClO4- -0.06 -UO2(OH)+ NO3- 0.51 -UO2(OH)3- Na+ -0.09 -UO2(Ox)2-2 Na+ -0.18 -UO2(Ox)3-4 Na+ -0.01 -UO2(SO4)2-2 Na+ -0.12 -UO2+ Cl- 0.18 -UO2+ ClO4- 0.26 -UO2+2 Cl- 0.46 -UO2+2 ClO4- 0.46 -UO2+2 NO3- 0.46 -UO2Br+ Cl- 0.169 -UO2Br+ ClO4- 0.24 -UO2Cl+ Cl- 0.22 -UO2Cl+ ClO4- 0.33 -UO2F+ Cl- 0.04 -UO2F+ ClO4- 0.28 -UO2F3- Na+ -0.14 -UO2F4-2 Na+ -0.3 -Zn+2 Cl- 0.163 -Zn+2 ClO4- 0.33 -Zn+2 NO3- 0.16 -Zr(CO3)4-4 Na+ -0.09 -Zr(NO3)2+2 ClO4- 0.84 -Zr(OH)+3 ClO4- 0.57 -Zr(OH)2+2 ClO4- 0.62 -Zr(OH)6-2 Na+ -0.1 -Zr+4 Cl- 0.89 -Zr+4 ClO4- 0.89 -Zr+4 NO3- 0.89 -Zr4(OH)15+ ClO4- 0.09 -ZrCl+3 ClO4- 0.87 -ZrCl2+2 ClO4- 0.84 -ZrF+3 ClO4- 0.63 -ZrF2+2 ClO4- 0.47 -ZrF5- Na+ -0.14 -ZrF6-2 Na+ -0.15 -ZrNO3+3 ClO4- 0.88 - +(NpO2)2(OH)2+2 Cl- -0.248 +(NpO2)2(OH)2+2 ClO4- 0.570 +(NpO2)2CO3(OH)3- Na+ 0.000 +(NpO2)3(CO3)6-6 Na+ -0.460 +(NpO2)3(OH)5+ Cl- -0.226 +(NpO2)3(OH)5+ ClO4- 0.450 +(PuO2)2(OH)2+2 Cl- -0.248 +(PuO2)3(CO3)6-6 Na+ -0.460 +(UO2)2(Cit)(OH)2- Na+ 0.600 +(UO2)2(Cit)2(OH)2-4 Na+ 0.560 +(UO2)2(Cit)2(OH)-3 Na+ 0.700 +(UO2)2(Cit)2-2 Na+ -0.110 +(UO2)2(CO3)(OH)3- Na+ 0.000 +(UO2)2(NpO2)(CO3)6-6 Na+ 0.090 +(UO2)2(OH)2+2 Cl- 0.690 +(UO2)2(OH)2+2 ClO4- 0.570 +(UO2)2(OH)2+2 NO3- 0.490 +(UO2)3(CO3)6-6 Na+ 0.370 +(UO2)3(OH)4+2 Cl- 0.500 +(UO2)3(OH)4+2 ClO4- 0.890 +(UO2)3(OH)4+2 NO3- 0.720 +(UO2)3(OH)5+ Cl- 0.810 +(UO2)3(OH)5+ ClO4- 0.450 +(UO2)3(OH)5+ NO3- 0.410 +Ag(SeO3)- Na+ -0.024 +Ag+ Cl- 0.031 +Al(OH)+2 Cl- 0.090 +Al(OH)2+ Cl- 0.090 +Al+3 Cl- 0.330 +Am(CO3)+ Cl- 0.210 +Am(CO3)+ ClO4- 0.210 +Am(CO3)2- Na+ 0.060 +Am(CO3)3-3 Na+ 0.080 +Am(CO3)5-6 Na+ -0.300 +Am(Edta)- Na+ 0.010 +Am(H2PO4)+2 Cl- 0.191 +Am(H2PO4)+2 ClO4- 0.390 +Am(NO3)+2 ClO4- 0.390 +Am(OH)+2 Cl- -0.040 +Am(OH)+2 ClO4- 0.390 +Am(OH)2+ Cl- -0.290 +Am(OH)2+ ClO4- 0.170 +Am(Ox)+ ClO4- 0.080 +Am(Ox)2- Na+ -0.210 +Am(Ox)3-3 Na+ -0.230 +Am(SO4)+ Cl- 0.157 +Am(SO4)+ ClO4- 0.220 +Am(SO4)2- Na+ -0.050 +Am+3 Cl- 0.230 +Am+3 ClO4- 0.490 +AmCl+2 Cl- 0.191 +AmCl+2 ClO4- 0.390 +AmCl2+ Cl- 0.129 +AmF+2 Cl- 0.191 +AmF+2 ClO4- 0.390 +AmF2+ Cl- 0.129 +AmF2+ ClO4- 0.170 +AmO2(CO3)- Na+ -0.180 +AmO2(CO3)2-3 Na+ -0.330 +AmO2(CO3)3-5 Na+ -0.530 +AmO2+ Cl- 0.090 +AmO2+2 Cl- 0.390 +B(OH)4- Na+ -0.070 +Ba+2 Cl- 0.070 +Ba+2 ClO4- 0.150 +Ba+2 NO3- -0.280 +Be(OH)+ ClO4- 0.220 +Be(OH)3- Na+ 0.020 +Be(OH)4-2 Na+ 0.030 +Be+2 Cl- 0.100 +Be+2 ClO4- 0.300 +Be+2 NO3- 0.160 +Be2(OH)+3 Cl- 0.300 +Be2(OH)+3 ClO4- 0.500 +Be2(OH)+3 NO3- 0.270 +Be3(OH)(CO3)+3 ClO4- 0.510 +Be3(OH)3+3 Cl- 0.300 +Be3(OH)3+3 ClO4- 0.510 +Be3(OH)3+3 NO3- 0.290 +Be5(OH)4(CO3)+4 ClO4- 0.800 +Be5(OH)6+4 ClO4- 0.800 +Be6(OH)5(CO3)2+3 Cl- 0.510 +Be6(OH)8+4 ClO4- 0.600 +Be6(OH)8+4 NO3- 0.600 +BeCl+ Cl- 0.090 +Br- Na+ 0.050 +Ca(Am(OH)3)+2 Cl- 0.050 +Ca(Cm(OH)3)+2 Cl- 0.050 +Ca(NpO2(OH)2)+ Cl- -0.070 +Ca+2 Cl- 0.140 +Ca+2 ClO4- 0.270 +Ca+2 NO3- 0.020 +Ca2(Am(OH)4)+3 Cl- 0.290 +Ca2(Cm(OH)4)+3 Cl- 0.290 +Ca3(Am(OH)6)+3 Cl- 0.000 +Ca3(Cm(OH)6)+3 Cl- 0.000 +Ca3(NpO2(OH)5)+2 Cl- -0.200 +Ca4Pu(OH)8+4 Cl- 0.120 +Ca4Th(OH)8+4 Cl- -0.010 +Ca4Th(OH)8+4 ClO4- 0.210 +CaUO2(CO3)3-2 Na+ -0.020 +Cd(HCO3)+ Cl- 0.200 +Cd+2 Cl- 0.160 +Cd+2 NO3- 0.090 +CdCl+ Cl- 0.127 +CdCl+ ClO4- 0.250 +CdI+ Cl- 0.136 +CdI+ ClO4- 0.270 +Cit-3 Na+ -0.076 +Cl- Na+ 0.030 +Cm(CO3)+ Cl- 0.210 +Cm(CO3)+ ClO4- 0.210 +Cm(CO3)2- Na+ 0.060 +Cm(CO3)3-3 Na+ 0.080 +Cm(H2PO4)+2 Cl- 0.191 +Cm(H2PO4)+2 ClO4- 0.390 +Cm(NO3)+2 ClO4- 0.390 +Cm(OH)+2 Cl- -0.040 +Cm(OH)+2 ClO4- 0.390 +Cm(OH)2+ Cl- -0.270 +Cm(OH)2+ ClO4- 0.170 +Cm(SO4)+ Cl- 0.157 +Cm(SO4)+ ClO4- 0.220 +Cm(SO4)2- Na+ -0.050 +Cm+3 Cl- 0.230 +Cm+3 ClO4- 0.490 +CmCl+2 Cl- 0.191 +CmCl+2 ClO4- 0.390 +CmCl2+ Cl- 0.129 +CmF+2 ClO4- 0.390 +CmF2+ ClO4- 0.170 +Co+2 Cl- 0.160 +Co+2 ClO4- 0.340 +Co+2 NO3- 0.140 +CO3-2 Na+ -0.080 +Cr+3 Cl- 0.300 +Cr+3 NO3- 0.270 +Cu(OH)+ ClO4- -0.130 +Cu(OH)4-2 Na+ 0.190 +Cu+ ClO4- 0.110 +Cu+2 Cl- 0.080 +Cu+2 ClO4- 0.320 +Cu+2 NO3- 0.110 +Cu2(OH)+3 ClO4- 0.470 +Cu2(OH)2+2 ClO4- 0.330 +CuCl+ ClO4- 0.310 +CuCl2- Na+ 0.070 +CuCl3- Na+ 0.000 +CuCl3-2 Na+ 0.140 +CuCl4-2 Na+ -0.050 +Edta-4 Na+ 0.320 +Eu(CO3)+ Cl- 0.129 +Eu(CO3)+ ClO4- 0.170 +Eu(CO3)2- Na+ -0.140 +Eu(CO3)3-3 Na+ -0.230 +Eu(H2PO4)+2 Cl- 0.191 +Eu(H2PO4)+2 ClO4- 0.390 +Eu(NO3)+2 Cl- 0.191 +Eu(NO3)+2 ClO4- 0.390 +Eu(OH)+2 Cl- -0.040 +Eu(OH)+2 ClO4- 0.390 +Eu(OH)2+ Cl- -0.290 +Eu(OH)2+ ClO4- 0.170 +Eu(SO4)+ Cl- 0.157 +Eu(SO4)+ ClO4- 0.220 +Eu(SO4)2- Na+ -0.050 +Eu+3 Cl- 0.230 +Eu+3 ClO4- 0.490 +EuCl+2 Cl- 0.191 +EuCl+2 ClO4- 0.390 +EuCl2+ Cl- 0.129 +EuF+2 Cl- 0.191 +EuF2+ Cl- 0.129 +F- Na+ 0.020 +Fe(OH)+2 Cl- 0.186 +Fe(OH)+2 ClO4- 0.460 +Fe(OH)2+ ClO4- 0.370 +Fe+2 Cl- 0.170 +Fe+2 ClO4- 0.370 +Fe+3 Cl- 0.760 +Fe+3 ClO4- 0.730 +Fe+3 NO3- 0.420 +Fe2(OH)2+4 ClO4- 1.040 +FeCl+ Cl- 0.160 +FeCl+2 Cl- 0.640 +FeCl+2 ClO4- 0.630 +FeCl2+ ClO4- 0.520 +FeF+ ClO4- 0.340 +H(Cit)-2 Na+ -0.040 +H(Edta)-3 Na+ -0.100 +H(Ox)- Na+ -0.070 +H(SeO3)- Na+ 0.020 +H(SeO4)- Na+ 0.000 +H(SO4)- Na+ -0.010 +H+ Cl- 0.120 +H+ ClO4- 0.140 +H+ NO3- 0.070 +H2(Cit)- Na+ -0.050 +H2(Edta)-2 Na+ -0.370 +H2(PO4)- Na+ -0.080 +H2(SiO4)-2 Na+ -0.100 +H3(Edta)- Na+ -0.330 +H3(SiO4)- Na+ -0.080 +H5(Edta)+ Cl- -0.230 +H5(Edta)+ ClO4- -0.230 +H5(Edta)+ NO3- -0.230 +H6(Edta)+2 Cl- -0.200 +H6(Edta)+2 ClO4- -0.200 +H6(Edta)+2 NO3- -0.200 +HCO3- Na+ 0.000 +Hf(NO3)2+2 ClO4- 0.840 +Hf(OH)+3 ClO4- 0.570 +Hf+4 Cl- 0.890 +Hf+4 ClO4- 0.890 +Hf+4 NO3- 0.890 +HfCl+3 ClO4- 0.870 +HfCl2+2 ClO4- 0.840 +HfF+3 ClO4- 0.630 +HfF2+2 ClO4- 0.470 +HfNO3+3 ClO4- 0.910 +Hg(OH)+ ClO4- 0.060 +Hg+2 ClO4- 0.340 +Hg+2 NO3- -0.100 +Hg2+2 ClO4- 0.090 +Hg2+2 NO3- -0.200 +HgCl+ ClO4- 0.190 +HgCl3- Na+ 0.050 +HgCl4-2 Na+ 0.080 +HGlu- Na+ -0.070 +HIsa- Na+ -0.070 +HMoO4- Na+ -0.099 +Ho(CO3)+ Cl- 0.129 +Ho(CO3)+ ClO4- 0.170 +Ho(CO3)2- Na+ -0.140 +Ho(CO3)3-3 Na+ -0.230 +Ho(H2PO4)+2 Cl- 0.191 +Ho(H2PO4)+2 ClO4- 0.390 +Ho(NO3)+2 Cl- 0.191 +Ho(NO3)+2 ClO4- 0.390 +Ho(OH)+2 Cl- -0.040 +Ho(OH)+2 ClO4- 0.390 +Ho(OH)2+ Cl- -0.290 +Ho(OH)2+ ClO4- 0.170 +Ho(SO4)+ Cl- 0.157 +Ho(SO4)+ ClO4- 0.220 +Ho(SO4)2- Na+ -0.050 +Ho+3 Cl- 0.230 +Ho+3 ClO4- 0.490 +HoCl+2 Cl- 0.191 +HoCl+2 ClO4- 0.390 +HoCl2+ Cl- 0.129 +HoF+2 Cl- 0.191 +HoF+2 ClO4- 0.390 +HoF2+ Cl- 0.129 +HoF2+ ClO4- 0.170 +HPO4-2 Na+ -0.150 +I- Na+ 0.080 +IO3- Na+ -0.060 +K+ Cl- 0.000 +K+ NO3- -0.110 +Li+ Cl- 0.100 +Li+ ClO4- 0.150 +Li+ NO3- 0.080 +Mg(Cit)- Na+ 0.030 +Mg(Edta)-2 Na+ -0.010 +Mg(HEdta)- Na+ 0.110 +Mg(Ox)2-2 Na+ -0.150 +Mg+2 Cl- 0.190 +Mg+2 ClO4- 0.330 +Mg+2 NO3- 0.170 +MgUO2(CO3)3-2 Na+ -0.020 +Mn+2 Cl- 0.130 +Mo7O21(OH)3-3 Na+ -1.455 +Mo7O22(OH)2-4 Na+ -1.346 +Mo7O23(OH)-5 Na+ -1.145 +Mo7O24-6 Na+ -1.265 +MoO4-2 Na+ 0.034 +Na+ ClO4- 0.010 +NH4+ Cl- -0.010 +NH4+ ClO4- -0.080 +NH4+ NO3- -0.060 +Ni(Cit)- Na+ 0.220 +Ni(CO3)2-2 Na+ 0.003 +Ni(HCO3)+ Cl- 0.085 +Ni(NO3)+ Cl- 0.060 +Ni(NO3)+ ClO4- 0.440 +Ni(OH)+ Cl- -0.010 +Ni(OH)+ ClO4- 0.140 +Ni(SO4)2-2 Na+ -0.263 +Ni+2 Cl- 0.170 +Ni+2 ClO4- 0.370 +Ni+2 NO3- 0.182 +Ni4(OH)4+4 ClO4- 1.080 +NiCl+ Cl- 0.100 +NiCl+ ClO4- 0.470 +NiF+ Cl- 0.065 +NiF+ ClO4- 0.340 +NiHS+ ClO4- -0.850 +NO3- Na+ -0.040 +Np(CO3)+ Cl- 0.129 +Np(CO3)+ ClO4- 0.170 +Np(CO3)2- Na+ -0.140 +Np(CO3)3-3 Na+ -0.230 +Np(CO3)4-4 Na+ -0.090 +Np(CO3)5-6 Na+ 0.000 +Np(NO3)+3 ClO4- 0.710 +Np(OH)+2 Cl- -0.040 +Np(OH)+2 ClO4- 0.390 +Np(OH)+3 Cl- 0.200 +Np(OH)+3 ClO4- 0.500 +Np(OH)2+ Cl- -0.290 +Np(OH)2+ ClO4- 0.170 +Np(OH)2+2 Cl- 0.100 +Np(OH)3+ Cl- 0.050 +Np(SO4)+ Cl- 0.157 +Np(SO4)+ ClO4- 0.220 +Np(SO4)+2 Cl- 0.232 +Np(SO4)+2 ClO4- 0.480 +Np(SO4)2- Na+ -0.050 +Np+3 Cl- 0.230 +Np+3 ClO4- 0.490 +Np+4 Cl- 0.400 +Np+4 ClO4- 0.840 +NpCl+3 ClO4- 0.810 +NpF+3 ClO4- 0.580 +NpF2+2 Cl- 0.186 +NpF2+2 ClO4- 0.380 +NpF3+ Cl- 0.100 +NpI+3 ClO4- 0.770 +NpO2(Cit)-2 Na+ -0.060 +NpO2(CO3)- Na+ -0.180 +NpO2(CO3)2-2 Na+ -0.020 +NpO2(CO3)2-3 Na+ -0.330 +NpO2(CO3)2OH-4 Na+ -0.400 +NpO2(CO3)3-4 Na+ -0.400 +NpO2(CO3)3-5 Na+ -0.530 +NpO2(Edta)-3 Na+ 0.200 +NpO2(HEdta)-2 Na+ 0.070 +NpO2(HPO4)- Na+ -0.050 +NpO2(HPO4)2-2 Na+ -0.100 +NpO2(NO3)+ Cl- 0.220 +NpO2(NO3)+ ClO4- 0.330 +NpO2(OH)+ Cl- -0.003 +NpO2(OH)+ ClO4- -0.060 +NpO2(OH)2- Na+ -0.010 +NpO2(OH)3- Na+ -0.200 +NpO2(OH)4-2 Na+ -0.120 +NpO2(Ox)- Na+ -0.400 +NpO2(Ox)2-3 Na+ -0.300 +NpO2(SO4)- Na+ 0.070 +NpO2(SO4)2-2 Na+ -0.120 +NpO2+ Cl- 0.090 +NpO2+ ClO4- 0.250 +NpO2+2 Cl- 0.223 +NpO2+2 ClO4- 0.460 +NpO2Cl+ Cl- 0.318 +NpO2Cl+ ClO4- 0.500 +NpO2F+ Cl- 0.197 +NpO2F+ ClO4- 0.290 +OH- Na+ 0.040 +Ox-2 Na+ -0.080 +Pa+4 Cl- 0.300 +PaO(OH)+2 Cl- 0.130 +Pb(OH)3- Na+ 0.020 +Pb(SO4)2-2 Na+ -0.520 +Pb+2 Cl- 0.081 +Pb+2 ClO4- 0.150 +Pb+2 NO3- -0.200 +PbF+ Cl- 0.140 +Pd(OH)3- Na+ 0.110 +Pd(SO4)2-2 Na+ -0.120 +Pd+2 Cl- 0.160 +Pd+2 ClO4- 0.220 +PdBr+ Cl- 0.175 +PdBr3- Na+ 0.000 +PdBr4-2 Na+ 0.100 +PdCl+ Cl- 0.175 +PdCl+ ClO4- 0.250 +PdCl3- Na+ 0.030 +PdCl3(OH)-2 Na+ -0.044 +PdCl4-2 Na+ -0.044 +PO4-3 Na+ -0.250 +Pu(CO3)+ Cl- 0.129 +Pu(CO3)+ ClO4- 0.170 +Pu(CO3)2- Na+ -0.140 +Pu(CO3)3-3 Na+ -0.230 +Pu(CO3)4-4 Na+ -0.090 +Pu(CO3)5-6 Na+ 0.000 +Pu(NO3)+2 Cl- 0.191 +Pu(NO3)+2 ClO4- 0.390 +Pu(NO3)+3 ClO4- 0.590 +Pu(OH)+2 Cl- -0.040 +Pu(OH)+2 ClO4- 0.390 +Pu(OH)+3 Cl- 0.200 +Pu(OH)+3 ClO4- 0.500 +Pu(OH)2+ Cl- -0.290 +Pu(OH)2+ ClO4- 0.170 +Pu(OH)2+2 Cl- 0.100 +Pu(OH)3+ Cl- 0.050 +Pu(SO4)+ Cl- 0.157 +Pu(SO4)+ ClO4- 0.220 +Pu(SO4)+2 Cl- 0.232 +Pu(SO4)+2 ClO4- 0.360 +Pu(SO4)2- Na+ -0.050 +Pu+3 Cl- 0.230 +Pu+3 ClO4- 0.490 +Pu+4 ClO4- 0.820 +PuBr+3 Cl- 0.100 +PuBr+3 ClO4- 0.580 +PuCl+3 Cl- 0.100 +PuCl+3 ClO4- 0.850 +PuF+3 Cl- 0.100 +PuF+3 ClO4- 0.560 +PuF2+2 Cl- 0.177 +PuF2+2 ClO4- 0.360 +PuF3+ Cl- 0.100 +PuI+2 Cl- 0.191 +PuI+2 ClO4- 0.390 +PuI+3 Cl- 0.100 +PuO2(CO3)- Na+ -0.180 +PuO2(CO3)2-2 Na+ -0.700 +PuO2(CO3)3-4 Na+ -0.200 +PuO2(CO3)3-5 Na+ -0.530 +PuO2(OH)+ Cl- -0.003 +PuO2(SO4)- Na+ -0.070 +PuO2(SO4)2-2 Na+ -0.120 +PuO2+ Cl- 0.129 +PuO2+ ClO4- 0.240 +PuO2+2 Cl- 0.223 +PuO2+2 ClO4- 0.460 +PuO2Cl+ Cl- 0.318 +PuO2Cl+ ClO4- 0.500 +PuO2F+ Cl- 0.197 +PuO2F+ ClO4- 0.290 +PuO2F3- Na+ 0.000 +PuO2NO3+ Cl- 0.220 +PuO2NO3+ ClO4- 0.330 +SeO3-2 Na+ -0.080 +SeO4-2 Na+ -0.120 +Si2O2(OH)5- Na+ -0.080 +Si2O3(OH)4-2 Na+ -0.150 +Si3O5(OH)5-3 Na+ -0.250 +Si3O6(OH)3-3 Na+ -0.250 +Si4O8(OH)4-4 Na+ -0.260 +Sm(CO3)+ Cl- 0.129 +Sm(CO3)+ ClO4- 0.170 +Sm(CO3)2- Na+ -0.140 +Sm(CO3)3-3 Na+ -0.230 +Sm(H2PO4)+2 Cl- 0.191 +Sm(H2PO4)+2 ClO4- 0.390 +Sm(NO3)+2 Cl- 0.191 +Sm(NO3)+2 ClO4- 0.390 +Sm(OH)+2 Cl- -0.040 +Sm(OH)+2 ClO4- 0.390 +Sm(OH)2+ Cl- -0.290 +Sm(OH)2+ ClO4- 0.170 +Sm(SO4)+ Cl- 0.157 +Sm(SO4)+ ClO4- 0.220 +Sm(SO4)2- Na+ -0.050 +Sm+3 Cl- 0.230 +Sm+3 ClO4- 0.490 +SmCl+2 Cl- 0.191 +SmCl+2 ClO4- 0.390 +SmF+2 Cl- 0.191 +SmF+2 ClO4- 0.390 +Sn(OH)+ ClO4- -0.070 +Sn(OH)3- Na+ 0.220 +Sn+2 Cl- 0.140 +Sn+2 ClO4- 0.190 +Sn+4 ClO4- 0.700 +Sn3(OH)4+2 ClO4- -0.020 +SnBr+ ClO4- 0.150 +SnBr3- Na+ 0.160 +SnCl+ ClO4- 0.080 +SnCl3- Na+ 0.040 +SnF+ ClO4- 0.140 +SO3-2 Na+ -0.080 +SO4-2 Na+ -0.120 +Tc2O2(OH)2+2 Cl- -0.430 +TcO(OH)3- Na+ -0.080 +Th(CO3)5-6 Na+ -0.300 +Th(H2PO4)+3 ClO4- 0.500 +Th(H2PO4)2+2 ClO4- 0.400 +Th(H3PO4)(H2PO4)+3 ClO4- 0.500 +Th(H3PO4)+4 ClO4- 0.700 +Th(NO3)+3 ClO4- 0.560 +Th(NO3)+3 NO3- 0.560 +Th(NO3)2+2 ClO4- 0.430 +Th(NO3)2+2 NO3- 0.430 +Th(OH)(CO3)4-5 Na+ -0.220 +Th(OH)+3 Cl- 0.190 +Th(OH)+3 ClO4- 0.480 +Th(OH)+3 NO3- 0.200 +Th(OH)2(CO3)2-2 Na+ -0.100 +Th(OH)2+2 Cl- 0.130 +Th(OH)2+2 ClO4- 0.330 +Th(OH)2+2 NO3- 0.100 +Th(OH)3(CO3)- Na+ -0.050 +Th(OH)3+ Cl- 0.060 +Th(OH)3+ ClO4- 0.150 +Th(OH)3+ NO3- 0.050 +Th(OH)4(CO3)-2 Na+ -0.100 +Th(SO4)+2 Cl- 0.140 +Th(SO4)+2 ClO4- 0.300 +Th(SO4)3-2 Na+ -0.091 +Th+4 Cl- 0.250 +Th+4 ClO4- 0.700 +Th+4 NO3- 0.310 +Th2(OH)2+6 Cl- 0.400 +Th2(OH)2+6 ClO4- 1.220 +Th2(OH)2+6 NO3- 0.690 +Th2(OH)3+5 Cl- 0.290 +Th2(OH)3+5 ClO4- 0.910 +Th2(OH)3+5 NO3- 0.690 +Th4(OH)12+4 Cl- 0.250 +Th4(OH)12+4 ClO4- 0.560 +Th4(OH)12+4 NO3- 0.420 +Th4(OH)8+8 Cl- 0.700 +Th4(OH)8+8 ClO4- 1.690 +Th4(OH)8+8 NO3- 1.590 +Th6(OH)14+10 Cl- 0.830 +Th6(OH)14+10 ClO4- 2.200 +Th6(OH)14+10 NO3- 2.900 +Th6(OH)15+9 Cl- 0.720 +Th6(OH)15+9 ClO4- 1.850 +Th6(OH)15+9 NO3- 2.200 +ThCl+3 Cl- 0.620 +ThCl+3 ClO4- 0.620 +ThF+3 ClO4- 0.480 +ThF+3 NO3- 0.250 +ThF2+2 ClO4- 0.300 +ThF2+2 NO3- 0.150 +ThF3+ ClO4- 0.100 +ThF3+ NO3- 0.000 +U(CO3)4-4 Na+ -0.090 +U(CO3)5-6 Na+ -0.300 +U(NO3)+3 ClO4- 0.620 +U(NO3)2+2 Cl- 0.236 +U(NO3)2+2 ClO4- 0.490 +U(OH)+3 Cl- 0.200 +U(OH)+3 ClO4- 0.480 +U(OH)2+2 Cl- 0.100 +U(OH)3+ Cl- 0.050 +U(SO4)+2 Cl- 0.149 +U(SO4)+2 ClO4- 0.300 +U+3 Cl- 0.230 +U+3 ClO4- 0.490 +U+4 Cl- 0.360 +U+4 ClO4- 0.760 +UBr+3 ClO4- 0.520 +UCl+3 Cl- 0.100 +UCl+3 ClO4- 0.500 +UF+3 Cl- 0.100 +UF+3 ClO4- 0.480 +UF2+2 Cl- 0.149 +UF2+2 ClO4- 0.300 +UF3+ Cl- 0.100 +UF3+ ClO4- 0.100 +UI+3 ClO4- 0.550 +UI+3 NO3- 0.560 +UO2(Cit)- Na+ -0.110 +UO2(CO3)2-2 Na+ -0.020 +UO2(CO3)3-4 Na+ -0.010 +UO2(CO3)3-5 Na+ -0.620 +UO2(NO3)+ Cl- 0.220 +UO2(NO3)+ ClO4- 0.330 +UO2(OH)+ Cl- -0.003 +UO2(OH)+ ClO4- -0.060 +UO2(OH)+ NO3- 0.510 +UO2(OH)3- Na+ -0.240 +UO2(OH)4-2 Na+ 0.010 +UO2(Ox)2-2 Na+ -0.180 +UO2(Ox)3-4 Na+ -0.010 +UO2(SO4)2-2 Na+ -0.120 +UO2+ Cl- 0.180 +UO2+ ClO4- 0.260 +UO2+2 Cl- 0.460 +UO2+2 ClO4- 0.460 +UO2+2 NO3- 0.460 +UO2Br+ Cl- 0.169 +UO2Br+ ClO4- 0.240 +UO2Cl+ Cl- 0.220 +UO2Cl+ ClO4- 0.330 +UO2F+ Cl- 0.040 +UO2F+ ClO4- 0.280 +UO2F3- Na+ -0.140 +UO2F4-2 Na+ -0.300 +Zn+2 Cl- 0.163 +Zn+2 ClO4- 0.330 +Zn+2 NO3- 0.160 +Zr(CO3)4-4 Na+ -0.090 +Zr(NO3)2+2 ClO4- 0.840 +Zr(OH)+3 ClO4- 0.570 +Zr(OH)2+2 ClO4- 0.620 +Zr(OH)6-2 Na+ -0.100 +Zr+4 Cl- 0.890 +Zr+4 ClO4- 0.890 +Zr+4 NO3- 0.890 +Zr4(OH)15+ ClO4- 0.090 +ZrCl+3 ClO4- 0.870 +ZrCl2+2 ClO4- 0.840 +ZrF+3 ClO4- 0.630 +ZrF2+2 ClO4- 0.470 +ZrF5- Na+ -0.140 +ZrF6-2 Na+ -0.150 +ZrNO3+3 ClO4- 0.880 SOLUTION_SPECIES -1.000H2O = H2O - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000H+ = H+ - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #89COX/WAG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000e- = e- - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #89COX/WAG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Acetate- = Acetate- - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -486.01 #kJ/mol #82WAG/EVA - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Adipate-2 = Adipate-2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ag+ = Ag+ - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: 105.79 #kJ/mol #95SIL/BID - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 = Al+3 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -538.4 #kJ/mol #95POK/HEL - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Am+3 = Am+3 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -616.7 #kJ/mol #95SIL/BID - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000AsO4-3 = AsO4-3 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -888.14 #kJ/mol #09RAN/FUG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000B(OH)4- = B(OH)4- - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -1345.116 #kJ/mol #99RAR/RAN - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ba+2 = Ba+2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -534.8 #kJ/mol #95SIL/BID - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Br- = Br- - log_k 0.000 #95SIL/BID - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -121.41 #kJ/mol #95SIL/BID - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000CO3-2 = CO3-2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -675.23 #kJ/mol #89COX/WAG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 = Ca+2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -543 #kJ/mol #89COX/WAG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 = Cd+2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -75.92 #kJ/mol #89COX/WAG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cit-3 = Cit-3 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -1519.92 #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cl- = Cl- - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -167.08 #kJ/mol #89COX/WAG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cm+3 = Cm+3 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -615 #kJ/mol #01KON2 - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cn- = Cn- - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: 150.624 #kJ/mol #92JOH/OEL - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Co+2 = Co+2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -57.6 #kJ/mol #98PLY/ZHA1 - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000CrO4-2 = CrO4-2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -879 #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cs+ = Cs+ - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -258 #kJ/mol #95SIL/BID - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cu+2 = Cu+2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: 64.9 #kJ/mol #92GRE/FUG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Edta-4 = Edta-4 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -1704.8 #kJ/mol #05HUM/AND - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 = Eu+3 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -605.331 #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000F- = F- - log_k 0.000 #95SIL/BID - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -335.35 #kJ/mol #95SIL/BID - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 = Fe+2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -90 #kJ/mol #98CHI - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000H2(PO4)- = H2(PO4)- - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -1302.6 #kJ/mol #89COX/WAG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000H4(SiO4) = H4(SiO4) - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -1461.194 #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000HGlu- = HGlu- - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000HIsa- = HIsa- - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Hf+4 = Hf+4 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -628.91 #kJ/mol #99VAS/LYT - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Hg+2 = Hg+2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: 170.21 #kJ/mol #92GRE/FUG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ho+3 = Ho+3 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -707.042 #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000I- = I- - log_k 0.000 #92GRE/FUG - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -56.78 #kJ/mol #92GRE/FUG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000K+ = K+ - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -252.14 #kJ/mol #89COX/WAG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Li+ = Li+ - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Malonate-2 = Malonate-2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 = Mg+2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -467 #kJ/mol #89COX/WAG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 = Mn+2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -220.8 #kJ/mol #95ROB/HEM - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000MoO4-2 = MoO4-2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -997 #kJ/mol #74OHA - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000NO3- = NO3- - log_k 0.000 #92GRE/FUG - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -206.85 #kJ/mol #92GRE/FUG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Na+ = Na+ - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -240.34 #kJ/mol #92GRE/FUG (89COX/WAG) - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Nb(OH)6- = Nb(OH)6- - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -1925.665 #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 = Ni+2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -55.012 #kJ/mol #05GAM/BUG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+2 = NpO2+2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -860.733 #kJ/mol #01LEM/FUG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Nta-3 = Nta-3 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ox-2 = Ox-2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -830.66 #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pa+4 = Pa+4 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -620 #kJ/mol #85BAR/PAR - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pb+2 = Pb+2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: 0.92 #kJ/mol #89COX/WAG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pd+2 = Pd+2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: 189.883 #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Phthalat-2 = Phthalat-2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000PuO2+2 = PuO2+2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -822.036 #kJ/mol #01LEM/FUG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pyrophos-4 = Pyrophos-4 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ra+2 = Ra+2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -528.025 #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Rb+ = Rb+ - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -251.12 #kJ/mol #92GRE/FUG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000SO4-2 = SO4-2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -909.34 #kJ/mol #89COX/WAG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sb(OH)3 = Sb(OH)3 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -733.892 #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Scn- = Scn- - log_k 0.000 #92GRE/FUG - delta_h 0.000 #kJ/mol - # Enthalpy of formation: 76.4 #kJ/mol #92GRE/FUG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000SeO4-2 = SeO4-2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -603.5 #kJ/mol #05OLI/NOL - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sm+3 = Sm+3 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -691.199 #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 = Sn+2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -9.617 #kJ/mol #12GAM/GAJ - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 = Sr+2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -550.9 #kJ/mol #84BUS/PLUS - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Suberate-2 = Suberate-2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Succinat-2 = Succinat-2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000TcO(OH)2 = TcO(OH)2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -749.32 #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 = Th+4 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -768.7 #kJ/mol #09RAN/FUG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 = UO2+2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -1019 #kJ/mol #92GRE/FUG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Zn+2 = Zn+2 - log_k 0.000 #92GRE/FUG - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -153.39 #kJ/mol #92GRE/FUG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Zr+4 = Zr+4 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -608.5 #kJ/mol #05BRO/CUR - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - - -1.000Am+3 + 0.500H2O - 1.000H+ - 0.250O2 = Am+2 - log_k -60.375 #95SIL/BID - delta_h 401.958 #kJ/mol - # Enthalpy of formation: -354.624 #kJ/mol - -analytic 1.00448E+1 0E+0 -2.09957E+4 0E+0 0E+0 - -1.000Am+3 - 0.500H2O + 1.000H+ + 0.250O2 = Am+4 - log_k -22.715 - delta_h 70.819 #kJ/mol - # Enthalpy of formation: -406 #kJ/mol #95SIL/BID - -analytic -1.03081E+1 0E+0 -3.6991E+3 0E+0 0E+0 - -- 2.000H+ + 1.000Am+3 + 1.000H2O + 0.500O2 = AmO2+ - log_k -15.380 - delta_h 104.337 #kJ/mol #95SIL/BID - # Enthalpy of formation: -804.26 #kJ/mol - -analytic 2.89903E+0 0E+0 -5.44989E+3 0E+0 0E+0 - -- 1.000H+ + 1.000Am+3 + 0.500H2O + 0.750O2 = AmO2+2 - log_k -20.865 - delta_h 117.956 #kJ/mol #95SIL/BID - # Enthalpy of formation: -650.76 #kJ/mol - -analytic -2.00114E-1 0E+0 -6.16124E+3 0E+0 0E+0 - -2.000H+ + 1.000CO3-2 + 1.000H2O - 2.000O2 = CH4 - log_k -133.770 - delta_h 848.886 #kJ/mol - # Enthalpy of formation: -87.906 #kJ/mol #01SCH/SHO - -analytic 1.49482E+1 0E+0 -4.43403E+4 0E+0 0E+0 - -4.000H+ + 1.000CrO4-2 - 2.000H2O - 1.000O2 = Cr+2 - log_k -18.760 #04CHI - delta_h 137.587 #kJ/mol - # Enthalpy of formation: -157.62 #kJ/mol - -analytic 5.34417E+0 0E+0 -7.18666E+3 0E+0 0E+0 - -5.000H+ + 1.000CrO4-2 - 2.500H2O - 0.750O2 = Cr+3 - log_k 9.135 - delta_h -85.176 #kJ/mol - # Enthalpy of formation: -240.5 #kJ/mol #04CHI - -analytic -5.78709E+0 0E+0 4.44902E+3 0E+0 0E+0 - -1.000Cu+2 + 0.500H2O - 1.000H+ - 0.250O2 = Cu+ - log_k -18.855 - delta_h 146.652 #kJ/mol - # Enthalpy of formation: 71.67 #kJ/mol #82WAG/EVA - -analytic 6.8372E+0 0E+0 -7.66013E+3 0E+0 0E+0 - -1.000Eu+3 + 0.500H2O - 1.000H+ - 0.250O2 = Eu+2 - log_k -27.465 - delta_h 217.611 #kJ/mol - # Enthalpy of formation: -527.602 #kJ/mol #92JOH/OEL - -analytic 1.06587E+1 0E+0 -1.13666E+4 0E+0 0E+0 - -1.000Fe+2 - 0.500H2O + 1.000H+ + 0.250O2 = Fe+3 - log_k 8.485 - delta_h -98.882 #kJ/mol - # Enthalpy of formation: -49 #kJ/mol #98CHI - -analytic -8.83827E+0 0E+0 5.16493E+3 0E+0 0E+0 - -1.000H2O - 0.500O2 = H2 - log_k -46.070 - delta_h 275.563 #kJ/mol - # Enthalpy of formation: -4.2 #kJ/mol #82WAG/EVA - -analytic 2.20649E+0 0E+0 -1.43936E+4 0E+0 0E+0 - -3.000H+ + 1.000AsO4-3 - 0.500O2 = H3(AsO3) - log_k -2.960 - delta_h 139.873 #kJ/mol - # Enthalpy of formation: -742.2 #kJ/mol #09RAN/FUG - -analytic 2.15447E+1 0E+0 -7.30606E+3 0E+0 0E+0 - -1.000H+ + 1.000SO4-2 - 2.000O2 = HS- - log_k -138.270 - delta_h 868.772 #kJ/mol - # Enthalpy of formation: -16.3 #kJ/mol #89COX/WAG - -analytic 1.39321E+1 0E+0 -4.53791E+4 0E+0 0E+0 - -1.000H+ + 1.000SeO4-2 - 2.000O2 = HSe- - log_k -90.390 - delta_h 593.532 #kJ/mol - # Enthalpy of formation: 14.3 #kJ/mol #05OLI/NOL - -analytic 1.35922E+1 0E+0 -3.10023E+4 0E+0 0E+0 - -2.000Hg+2 + 1.000H2O - 2.000H+ - 0.500O2 = Hg2+2 - log_k -12.200 - delta_h 106.213 #kJ/mol - # Enthalpy of formation: 166.87 #kJ/mol #01LEM/FUG - -analytic 6.40769E+0 0E+0 -5.54788E+3 0E+0 0E+0 - -1.000I- + 1.500O2 = IO3- - log_k 17.410 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: -219.7 #kJ/mol #92GRE/FUG - -analytic 1.741E+1 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000NO3- + 1.000H2O - 2.000O2 = NH3 - log_k -61.960 #95SIL/BID - delta_h 387.242 #kJ/mol - # Enthalpy of formation: -81.17 #kJ/mol #95SIL/BID - -analytic 5.88179E+0 0E+0 -2.0227E+4 0E+0 0E+0 - -1.000Np+4 + 0.500H2O - 1.000H+ - 0.250O2 = Np+3 - log_k -17.795 - delta_h 168.720 #kJ/mol - # Enthalpy of formation: -527.184 #kJ/mol #01LEM/FUG - -analytic 1.17633E+1 0E+0 -8.81282E+3 0E+0 0E+0 - -1.000NpO2+ + 3.000H+ - 1.500H2O - 0.250O2 = Np+4 - log_k -11.285 - delta_h -9.620 #kJ/mol - # Enthalpy of formation: -556.022 #kJ/mol #01LEM/FUG - -analytic -1.29703E+1 0E+0 5.02461E+2 0E+0 0E+0 - -1.000NpO2+2 + 0.500H2O - 1.000H+ - 0.250O2 = NpO2+ - log_k -1.905 - delta_h 22.434 #kJ/mol - # Enthalpy of formation: -978.181 #kJ/mol #01LEM/FUG - -analytic 2.02517E+0 0E+0 -1.17178E+3 0E+0 0E+0 - -- 4.000H+ - 4.000e- + 2.000H2O = O2 - log_k -85.980 #89COX/WAG - delta_h 559.526 #kJ/mol - # Enthalpy of formation: -12.134 #kJ/mol #01SCH/SHO - -analytic 1.20446E+1 0E+0 -2.9226E+4 0E+0 0E+0 - -- 3.000H+ + 1.000Pa+4 + 1.500H2O + 0.250O2 = PaO2+ - log_k 25.715 #85BAR/PAR, 76BAE/MES - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.5715E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+4 + 0.500H2O - 1.000H+ - 0.250O2 = Pu+3 - log_k -3.805 - delta_h 87.987 #kJ/mol - # Enthalpy of formation: -591.79 #kJ/mol #01LEM/FUG - -analytic 1.16096E+1 0E+0 -4.59585E+3 0E+0 0E+0 - -1.000PuO2+ + 3.000H+ - 1.500H2O - 0.250O2 = Pu+4 - log_k -4.045 - delta_h -61.547 #kJ/mol - # Enthalpy of formation: -539.895 #kJ/mol #01LEM/FUG - -analytic -1.48275E+1 0E+0 3.21479E+3 0E+0 0E+0 - -1.000PuO2+2 + 0.500H2O - 1.000H+ - 0.250O2 = PuO2+ - log_k -5.675 - delta_h 51.791 #kJ/mol #01LEM/FUG - # Enthalpy of formation: -910.127 #kJ/mol - -analytic 3.39829E+0 0E+0 -2.7052E+3 0E+0 0E+0 - -2.000H+ + 2.000SO4-2 - 1.000H2O - 2.000O2 = S2O3-2 - log_k -133.400 - delta_h 856.296 #kJ/mol - # Enthalpy of formation: -652.286 #kJ/mol #04CHI - -analytic 1.66164E+1 0E+0 -4.47274E+4 0E+0 0E+0 - -2.000H+ + 2.000SO4-2 - 1.000H2O - 1.500O2 = S2O4-2 - log_k -118.270 - delta_h 761.149 #kJ/mol - # Enthalpy of formation: -735.5 #kJ/mol #82WAG/EVA - -analytic 1.50774E+1 0E+0 -3.97575E+4 0E+0 0E+0 - -1.000SO4-2 - 0.500O2 = SO3-2 - log_k -46.610 - delta_h 272.213 #kJ/mol - # Enthalpy of formation: -631.06 #kJ/mol #85GOL/PAR - -analytic 1.0796E+0 0E+0 -1.42187E+4 0E+0 0E+0 - -1.000Sb(OH)3 + 1.000H2O + 0.500O2 = Sb(OH)5 - log_k 21.250 #99LOT/OCH recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.125E+1 0E+0 0E+0 0E+0 0E+0 - -1.000SeO4-2 - 0.500O2 = SeO3-2 - log_k -14.950 #05OLI/NOL - delta_h 90.273 #kJ/mol - # Enthalpy of formation: -507.16 #kJ/mol #05OLI/NOL - -analytic 8.65128E-1 0E+0 -4.71528E+3 0E+0 0E+0 - -1.000Sn+2 - 1.000H2O + 2.000H+ + 0.500O2 = Sn+4 - log_k 30.010 #12GAM/GAJ; E°=0.384V for Sn2+/Sn4+ reaction ( I=0) - delta_h -301.645 #kJ/mol - # Enthalpy of formation: -31.499 #kJ/mol - -analytic -2.28359E+1 0E+0 1.5756E+4 0E+0 0E+0 - -1.000TcO(OH)2 - 1.000H+ - 0.500H2O + 0.750O2 = TcO4- - log_k 35.055 - delta_h -113.895 #kJ/mol - # Enthalpy of formation: -729.4 #kJ/mol #99RAR/RAN - -analytic 1.51016E+1 0E+0 5.94912E+3 0E+0 0E+0 - -1.000TcO4- + 0.500H2O - 1.000H+ - 0.250O2 = TcO4-2 - log_k -32.295 #99RAR/RAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.2295E+1 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 + 0.500H2O - 1.000H+ - 0.250O2 = U+3 - log_k -30.845 #92GRE/FUG - delta_h 241.982 #kJ/mol #92GRE/FUG - # Enthalpy of formation: -489.1 #kJ/mol - -analytic 1.15483E+1 0E+0 -1.26396E+4 0E+0 0E+0 - -1.000UO2+2 + 2.000H+ - 1.000H2O - 0.500O2 = U+4 - log_k -33.950 #92GRE/FUG - delta_h 135.903 #kJ/mol - # Enthalpy of formation: -591.2 #kJ/mol #92GRE/FUG - -analytic -1.01409E+1 0E+0 -7.0987E+3 0E+0 0E+0 - -1.000UO2+2 + 0.500H2O - 1.000H+ - 0.250O2 = UO2+ - log_k -20.015 - delta_h 133.755 #kJ/mol - # Enthalpy of formation: -1025.127 #kJ/mol - -analytic 3.41775E+0 0E+0 -6.98647E+3 0E+0 0E+0 - - -2.000NpO2+2 - 2.000H+ + 2.000H2O = (NpO2)2(OH)2+2 - log_k -6.270 #01LEM/FUG - delta_h 44.996 #kJ/mol - # Enthalpy of formation: -2248.13 #kJ/mol - -analytic 1.61295E+0 0E+0 -2.3503E+3 0E+0 0E+0 - -2.000NpO2+2 - 3.000H+ + 1.000CO3-2 + 3.000H2O = (NpO2)2CO3(OH)3- - log_k -2.870 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.87E+0 0E+0 0E+0 0E+0 0E+0 - -3.000NpO2+2 + 6.000CO3-2 = (NpO2)3(CO3)6-6 - log_k 49.840 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.984E+1 0E+0 0E+0 0E+0 0E+0 - -3.000NpO2+2 - 5.000H+ + 5.000H2O = (NpO2)3(OH)5+ - log_k -17.120 #01LEM/FUG - delta_h 110.667 #kJ/mol - # Enthalpy of formation: -3900.682 #kJ/mol - -analytic 2.268E+0 0E+0 -5.78053E+3 0E+0 0E+0 - -2.000PuO2+2 - 2.000H+ + 2.000H2O = (PuO2)2(OH)2+2 - log_k -7.500 #01LEM/FUG - delta_h 43.583 #kJ/mol - # Enthalpy of formation: -2172.149 #kJ/mol - -analytic 1.35403E-1 0E+0 -2.2765E+3 0E+0 0E+0 - -3.000PuO2+2 + 6.000CO3-2 = (PuO2)3(CO3)6-6 - log_k 46.020 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.602E+1 0E+0 0E+0 0E+0 0E+0 - -1.000TcO(OH)2 - 1.000H+ + 1.000H2O = (TcO)(OH)3- - log_k -10.800 - delta_h 39.030 #kJ/mol #97NGU/LAN - # Enthalpy of formation: -996.12 #kJ/mol - -analytic -3.96225E+0 0E+0 -2.03868E+3 0E+0 0E+0 - -2.000Th+4 - 2.000H+ + 2.000Edta-4 + 2.000H2O = (Th(OH)(Edta))2-2 - log_k 43.700 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.37E+1 0E+0 0E+0 0E+0 0E+0 - -2.000U+4 - 2.000H+ + 2.000Edta-4 + 2.000H2O = (U(OH)(Edta))2-2 - log_k 51.700 #63ERM/KRO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.17E+1 0E+0 0E+0 0E+0 0E+0 - -11.000UO2+2 - 12.000H+ + 6.000CO3-2 + 12.000H2O = (UO2)11(CO3)6(OH)12-2 - log_k 36.430 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.643E+1 0E+0 0E+0 0E+0 0E+0 - -2.000UO2+2 - 3.000H+ + 1.000CO3-2 + 3.000H2O = (UO2)2(CO3)(OH)3- - log_k -0.860 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -8.6E-1 0E+0 0E+0 0E+0 0E+0 - -2.000UO2+2 + 2.000Cit-3 = (UO2)2(Cit)2-2 - log_k 21.300 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.13E+1 0E+0 0E+0 0E+0 0E+0 - -2.000UO2+2 + 1.000Edta-4 = (UO2)2(Edta) - log_k 20.600 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.06E+1 0E+0 0E+0 0E+0 0E+0 - -2.000UO2+2 + 1.000NpO2+2 + 6.000CO3-2 = (UO2)2(NpO2)(CO3)6-6 - log_k 53.590 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.359E+1 0E+0 0E+0 0E+0 0E+0 - -2.000UO2+2 - 1.000H+ + 1.000H2O = (UO2)2(OH)+3 - log_k -2.700 #92GRE/FUG - delta_h 14.354 #kJ/mol - # Enthalpy of formation: -2309.476 #kJ/mol - -analytic -1.85291E-1 0E+0 -7.49761E+2 0E+0 0E+0 - -2.000UO2+2 - 2.000H+ + 2.000H2O = (UO2)2(OH)2+2 - log_k -5.620 #92GRE/FUG - delta_h 37.595 #kJ/mol - # Enthalpy of formation: -2572.065 #kJ/mol - -analytic 9.66352E-1 0E+0 -1.96372E+3 0E+0 0E+0 - -3.000UO2+2 - 3.000H+ + 1.000CO3-2 + 3.000H2O = (UO2)3(CO3)(OH)3+ - log_k 0.660 #92GRE/FUG - delta_h 81.159 #kJ/mol - # Enthalpy of formation: -4361.23 #kJ/mol - -analytic 1.48784E+1 0E+0 -4.23922E+3 0E+0 0E+0 - -3.000UO2+2 + 6.000CO3-2 = (UO2)3(CO3)6-6 - log_k 54.000 #92GRE/FUG - delta_h -62.700 #kJ/mol #92GRE/FUG - # Enthalpy of formation: -7171.08 #kJ/mol - -analytic 4.30154E+1 0E+0 3.27504E+3 0E+0 0E+0 - -3.000UO2+2 - 4.000H+ + 4.000H2O = (UO2)3(OH)4+2 - log_k -11.900 #92GRE/FUG - delta_h 84.264 #kJ/mol - # Enthalpy of formation: -4251.906 #kJ/mol - -analytic 2.8624E+0 0E+0 -4.40141E+3 0E+0 0E+0 - -3.000UO2+2 - 5.000H+ + 5.000H2O = (UO2)3(OH)5+ - log_k -15.550 #92GRE/FUG - delta_h 97.063 #kJ/mol - # Enthalpy of formation: -4389.086 #kJ/mol - -analytic 1.45468E+0 0E+0 -5.06995E+3 0E+0 0E+0 - -3.000UO2+2 - 7.000H+ + 7.000H2O = (UO2)3(OH)7- - log_k -32.200 #92SAN/BRU - delta_h 229.868 #kJ/mol - # Enthalpy of formation: -4827.942 #kJ/mol - -analytic 8.07109E+0 0E+0 -1.20068E+4 0E+0 0E+0 - -4.000UO2+2 - 7.000H+ + 7.000H2O = (UO2)4(OH)7+ - log_k -21.900 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.19E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ag+ + 2.000CO3-2 = Ag(CO3)2-3 - log_k 2.160 #97SVE/SHO - delta_h -28.044 #kJ/mol - # Enthalpy of formation: -1272.714 #kJ/mol - -analytic -2.75309E+0 0E+0 1.46484E+3 0E+0 0E+0 - -1.000Ag+ + 1.000HS- = Ag(HS) - log_k 14.050 #74NAU/RYZ in 91BAL/NOR - delta_h -78.826 #kJ/mol - # Enthalpy of formation: 10.664 #kJ/mol - -analytic 2.40298E-1 0E+0 4.11736E+3 0E+0 0E+0 - -1.000Ag+ + 2.000HS- = Ag(HS)2- - log_k 18.450 #74NAU/RYZ in 91BAL/NOR - delta_h -105.805 #kJ/mol - # Enthalpy of formation: -32.615 #kJ/mol - -analytic -8.62131E-2 0E+0 5.52657E+3 0E+0 0E+0 - -1.000Ag+ - 1.000H+ + 1.000H2O = Ag(OH) - log_k -12.000 #76BAE/MES - delta_h 47.178 #kJ/mol - # Enthalpy of formation: -132.862 #kJ/mol - -analytic -3.73478E+0 0E+0 -2.46427E+3 0E+0 0E+0 - -1.000Ag+ - 2.000H+ + 2.000H2O = Ag(OH)2- - log_k -24.000 #76BAE/MES - delta_h 111.634 #kJ/mol - # Enthalpy of formation: -354.236 #kJ/mol - -analytic -4.44259E+0 0E+0 -5.83104E+3 0E+0 0E+0 - -1.000Ag+ + 1.000S2O3-2 = Ag(S2O3)- - log_k 9.230 #74BEL/MAR in 82HÖG - delta_h -58.994 #kJ/mol #74BEL/MAR in 82HÖG - # Enthalpy of formation: -601.724 #kJ/mol - -analytic -1.10529E+0 0E+0 3.08147E+3 0E+0 0E+0 - -1.000Ag+ + 2.000S2O3-2 = Ag(S2O3)2-3 - log_k 13.640 #72POU/RIG in 82HÖG - delta_h -94.450 #kJ/mol - # Enthalpy of formation: -1285.7 #kJ/mol #82WAG/EVA - -analytic -2.90691E+0 0E+0 4.93346E+3 0E+0 0E+0 - -1.000Ag+ + 1.000SO3-2 = Ag(SO3)- - log_k 5.210 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.21E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ag+ + 1.000SO4-2 = Ag(SO4)- - log_k 1.380 - delta_h 4.646 #kJ/mol - # Enthalpy of formation: -798.904 #kJ/mol - -analytic 2.19394E+0 0E+0 -2.42677E+2 0E+0 0E+0 - -1.000Ag+ + 3.000H+ + 3.000Cn- + 3.000HSe- - 3.000H2O + 1.500O2 = Ag(SeCn)3-2 - log_k 181.900 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.819E+2 0E+0 0E+0 0E+0 0E+0 - -1.000Ag+ + 1.000SeO3-2 = Ag(SeO3)- - log_k 3.200 #Data from 68MEH and 69MEH/GUB in 05OLI/NOL corrected to I=0 by DH - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.2E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ag+ + 1.000Br- = AgBr - log_k 4.240 #91BAL/NOR, 68WAG - delta_h -23.129 #kJ/mol - # Enthalpy of formation: -38.749 #kJ/mol - -analytic 1.87979E-1 0E+0 1.20811E+3 0E+0 0E+0 - -1.000Ag+ + 2.000Br- = AgBr2- - log_k 7.280 #91BAL/NOR, 68WAG - delta_h -45.296 #kJ/mol - # Enthalpy of formation: -182.326 #kJ/mol - -analytic -6.55507E-1 0E+0 2.36597E+3 0E+0 0E+0 - -1.000Ag+ + 3.000Br- = AgBr3-2 - log_k 8.710 #91BAL/NOR, 68WAG - delta_h -66.741 #kJ/mol - # Enthalpy of formation: -325.181 #kJ/mol - -analytic -2.9825E+0 0E+0 3.48612E+3 0E+0 0E+0 - -1.000Ag+ + 1.000CO3-2 = AgCO3- - log_k 2.690 #97SVE/SHO - delta_h -22.832 #kJ/mol - # Enthalpy of formation: -592.272 #kJ/mol - -analytic -1.30999E+0 0E+0 1.1926E+3 0E+0 0E+0 - -1.000Ag+ + 1.000Cl- = AgCl - log_k 3.270 #91BAL/NOR - delta_h -17.099 #kJ/mol - # Enthalpy of formation: -78.389 #kJ/mol - -analytic 2.74388E-1 0E+0 8.93142E+2 0E+0 0E+0 - -1.000Ag+ + 2.000Cl- = AgCl2- - log_k 5.270 #91BAL/NOR - delta_h -28.752 #kJ/mol - # Enthalpy of formation: -257.122 #kJ/mol - -analytic 2.32873E-1 0E+0 1.50182E+3 0E+0 0E+0 - -1.000Ag+ + 3.000Cl- = AgCl3-2 - log_k 5.290 #91BAL/NOR - delta_h -29.163 #kJ/mol - # Enthalpy of formation: -424.613 #kJ/mol - -analytic 1.80869E-1 0E+0 1.52329E+3 0E+0 0E+0 - -1.000Ag+ + 4.000Cl- = AgCl4-3 - log_k 5.510 #91BAL/NOR - delta_h -26.094 #kJ/mol - # Enthalpy of formation: -588.624 #kJ/mol - -analytic 9.38534E-1 0E+0 1.36298E+3 0E+0 0E+0 - -1.000Ag+ + 1.000I- = AgI - log_k 6.580 #76SMI/MAR - delta_h -36.962 #kJ/mol - # Enthalpy of formation: 12.048 #kJ/mol - -analytic 1.04545E-1 0E+0 1.93066E+3 0E+0 0E+0 - -1.000Ag+ + 2.000I- = AgI2- - log_k 11.700 #76SMI/MAR - delta_h -76.578 #kJ/mol - # Enthalpy of formation: -84.348 #kJ/mol - -analytic -1.71587E+0 0E+0 3.99994E+3 0E+0 0E+0 - -1.000Ag+ + 3.000I- = AgI3-2 - log_k 13.280 - delta_h -114.911 #kJ/mol - # Enthalpy of formation: -179.461 #kJ/mol - -analytic -6.85151E+0 0E+0 6.00221E+3 0E+0 0E+0 - -1.000Ag+ + 1.000NO3- = AgNO3 - log_k -0.290 #91BAL/NOR, 68WAG - delta_h -0.740 #kJ/mol - # Enthalpy of formation: -101.8 #kJ/mol #82WAG/EVA - -analytic -4.19642E-1 0E+0 3.86528E+1 0E+0 0E+0 - -1.000Al+3 + 1.000Cit-3 = Al(Cit) - log_k 9.900 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.9E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 - 1.000H+ + 2.000Cit-3 + 1.000H2O = Al(Cit)2(OH)-4 - log_k 10.190 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.019E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 + 2.000Cit-3 = Al(Cit)2-3 - log_k 14.130 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.413E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 + 1.000Edta-4 = Al(Edta)- - log_k 19.080 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.908E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 + 1.000H+ + 1.000Cit-3 = Al(HCit)+ - log_k 12.900 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.29E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 + 1.000H+ + 1.000Edta-4 = Al(HEdta) - log_k 21.820 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.182E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 + 1.000H+ + 1.000Nta-3 = Al(HNta)+ - log_k 15.130 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.513E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 + 1.000H+ + 1.000Ox-2 = Al(HOx)+2 - log_k 7.500 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7.5E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 + 1.000IO3- = Al(IO3)+2 - log_k 2.460 #estimation NEA87 08/2/95 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.46E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 + 2.000IO3- = Al(IO3)2+ - log_k 4.300 #estimation NEA87 08/2/95 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.3E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 + 1.000Nta-3 = Al(Nta) - log_k 13.230 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.323E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 - 2.000H+ + 1.000Nta-3 + 2.000H2O = Al(Nta)(OH)2-2 - log_k -0.300 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 + 2.000Nta-3 = Al(Nta)2-3 - log_k 20.800 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.08E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 - 1.000H+ + 1.000Cit-3 + 1.000H2O = Al(OH)(Cit)- - log_k 8.100 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.1E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 - 1.000H+ + 1.000Edta-4 + 1.000H2O = Al(OH)(Edta)-2 - log_k 13.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.3E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 - 1.000H+ + 1.000Nta-3 + 1.000H2O = Al(OH)(Nta)- - log_k 6.790 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.79E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 - 1.000H+ + 1.000H2O = Al(OH)+2 - log_k -4.950 #95POK/HEL - delta_h 49.760 #kJ/mol - # Enthalpy of formation: -774.47 #kJ/mol - -analytic 3.76756E+0 0E+0 -2.59914E+3 0E+0 0E+0 - -1.000Al+3 - 2.000H+ + 1.000Edta-4 + 2.000H2O = Al(OH)2(Edta)-3 - log_k 2.300 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.3E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 - 2.000H+ + 2.000H2O = Al(OH)2+ - log_k -10.580 - delta_h 98.264 #kJ/mol - # Enthalpy of formation: -1011.796 #kJ/mol #95POK/HEL - -analytic 6.63509E+0 0E+0 -5.13268E+3 0E+0 0E+0 - -1.000Al+3 - 2.000H+ + 1.000F- + 2.000H2O = Al(OH)2F - log_k -4.210 - delta_h 118.636 #kJ/mol - # Enthalpy of formation: -1326.774 #kJ/mol #01TAG/SCH - -analytic 1.65741E+1 0E+0 -6.19678E+3 0E+0 0E+0 - -1.000Al+3 - 2.000H+ + 2.000F- + 2.000H2O = Al(OH)2F2- - log_k -1.990 - delta_h 134.839 #kJ/mol - # Enthalpy of formation: -1645.921 #kJ/mol #01TAG/SCH - -analytic 2.16327E+1 0E+0 -7.04312E+3 0E+0 0E+0 - -1.000Al+3 - 3.000H+ + 3.000H2O = Al(OH)3 - log_k -16.420 - delta_h 144.686 #kJ/mol - # Enthalpy of formation: -1251.204 #kJ/mol #95POK/HEL - -analytic 8.92786E+0 0E+0 -7.55747E+3 0E+0 0E+0 - -1.000Al+3 - 4.000H+ + 4.000H2O = Al(OH)4- - log_k -22.870 - delta_h 180.881 #kJ/mol - # Enthalpy of formation: -1500.839 #kJ/mol #95POK/HEL - -analytic 8.81894E+0 0E+0 -9.44806E+3 0E+0 0E+0 - -1.000Al+3 + 1.000Ox-2 = Al(Ox)+ - log_k 9.400 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.4E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 + 2.000Ox-2 = Al(Ox)2- - log_k 15.390 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.539E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 + 3.000Ox-2 = Al(Ox)3-3 - log_k 18.300 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.83E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 + 1.000SO4-2 = Al(SO4)+ - log_k 3.170 #01TAG/SCH - delta_h 18.870 #kJ/mol - # Enthalpy of formation: -1428.87 #kJ/mol - -analytic 6.47588E+0 0E+0 -9.85647E+2 0E+0 0E+0 - -2.000Al+3 - 2.000H+ + 4.000Ox-2 + 2.000H2O = Al2(Ox)4(OH)2-4 - log_k -6.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6E+0 0E+0 0E+0 0E+0 0E+0 - -3.000Al+3 - 4.000H+ + 3.000Cit-3 + 4.000H2O = Al3(Cit)3(OH)4-4 - log_k 20.600 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.06E+1 0E+0 0E+0 0E+0 0E+0 - -3.000Al+3 - 3.000H+ + 3.000Ox-2 + 3.000H2O = Al3(Ox)3(OH)3 - log_k 16.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.6E+1 0E+0 0E+0 0E+0 0E+0 - -4.000Al+3 - 4.000H+ + 4.000Ox-2 + 4.000H2O = Al4(Ox)4(OH)4 - log_k 21.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.1E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 + 1.000F- = AlF+2 - log_k 6.980 #01TAG/SCH - delta_h -0.346 #kJ/mol - # Enthalpy of formation: -874.096 #kJ/mol - -analytic 6.91938E+0 0E+0 1.80728E+1 0E+0 0E+0 - -1.000Al+3 + 2.000F- = AlF2+ - log_k 12.500 #01TAG/SCH - delta_h 0.420 #kJ/mol - # Enthalpy of formation: -1208.68 #kJ/mol - -analytic 1.25736E+1 0E+0 -2.19381E+1 0E+0 0E+0 - -1.000Al+3 + 3.000F- = AlF3 - log_k 16.550 #01TAG/SCH - delta_h 0.615 #kJ/mol - # Enthalpy of formation: -1543.835 #kJ/mol - -analytic 1.66577E+1 0E+0 -3.21236E+1 0E+0 0E+0 - -1.000Al+3 + 4.000F- = AlF4- - log_k 18.930 #01TAG/SCH - delta_h 0.823 #kJ/mol - # Enthalpy of formation: -1878.977 #kJ/mol - -analytic 1.90742E+1 0E+0 -4.29882E+1 0E+0 0E+0 - -1.000Al+3 - 1.000H+ + 1.000H4(SiO4) = AlH3SiO4+2 - log_k -2.380 #01TAG/SCH - delta_h 77.389 #kJ/mol - # Enthalpy of formation: -1922.205 #kJ/mol - -analytic 1.1178E+1 0E+0 -4.0423E+3 0E+0 0E+0 - -1.000Al+3 - 1.000H+ + 2.000F- + 1.000H2O = AlOHF2 - log_k 0.210 - delta_h 139.337 #kJ/mol - # Enthalpy of formation: -1355.593 #kJ/mol #01TAG/SCH - -analytic 2.46208E+1 0E+0 -7.27807E+3 0E+0 0E+0 - -1.000Am+3 + 1.000Acetate- = Am(Acetate)+2 - log_k 2.940 #11RIC/GRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.94E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Am+3 + 2.000Acetate- = Am(Acetate)2+ - log_k 5.070 #69MOS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.07E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Am+3 + 3.000Acetate- = Am(Acetate)3 - log_k 6.540 #69MOS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.54E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Am+3 + 1.000CO3-2 = Am(CO3)+ - log_k 7.900 #recalculated from 03GUI/FAN - delta_h 158.156 #kJ/mol - # Enthalpy of formation: -1133.774 #kJ/mol - -analytic 3.56077E+1 0E+0 -8.26105E+3 0E+0 0E+0 - -1.000Am+3 + 2.000CO3-2 = Am(CO3)2- - log_k 12.600 #recalculated from 03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.26E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Am+3 + 3.000CO3-2 = Am(CO3)3-3 - log_k 14.600 #Recalculated from 03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.46E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Am+3 + 5.000CO3-2 - 0.500H2O + 1.000H+ + 0.250O2 = Am(CO3)5-6 - log_k 16.395 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.6395E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Am+3 + 1.000Cit-3 = Am(Cit) - log_k 8.550 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.55E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Am+3 + 2.000Cit-3 = Am(Cit)2-3 - log_k 13.900 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.39E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Am+3 + 1.000Edta-4 = Am(Edta)- - log_k 19.670 #05HUM/AND - delta_h -10.600 #kJ/mol - # Enthalpy of formation: -2332.1 #kJ/mol - -analytic 1.7813E+1 0E+0 5.53676E+2 0E+0 0E+0 - -1.000Am+3 + 1.000H2(PO4)- = Am(H2PO4)+2 - log_k 3.000 #95SIL/BID - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3E+0 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000Am+3 + 1.000CO3-2 = Am(HCO3)+2 - log_k 13.430 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.343E+1 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000Am+3 + 1.000Cit-3 = Am(HCit)+ - log_k 12.860 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.286E+1 0E+0 0E+0 0E+0 0E+0 - -2.000H+ + 1.000Am+3 + 2.000Cit-3 = Am(HCit)2- - log_k 23.520 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.352E+1 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000Am+3 + 1.000Edta-4 = Am(HEdta) - log_k 21.840 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.184E+1 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000Am+3 + 1.000H2(PO4)- = Am(HPO4)+ - log_k -1.740 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.74E+0 0E+0 0E+0 0E+0 0E+0 - -- 2.000H+ + 1.000Am+3 + 2.000H2(PO4)- = Am(HPO4)2- - log_k -5.310 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.31E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Am+3 + 1.000NO3- = Am(NO3)+2 - log_k 1.330 #95SIL/BID - delta_h 1.800 #kJ/mol #09SKE/PAN - # Enthalpy of formation: -821.75 #kJ/mol - -analytic 1.64535E+0 0E+0 -9.40204E+1 0E+0 0E+0 - -1.000Am+3 + 1.000Nta-3 = Am(Nta) - log_k 13.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.3E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Am+3 + 2.000Nta-3 = Am(Nta)2-3 - log_k 22.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.2E+1 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000Am+3 + 1.000H2O = Am(OH)+2 - log_k -7.200 #03GUI/FAN, 88STA/KIM1, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE - delta_h 78.411 #kJ/mol - # Enthalpy of formation: -824.119 #kJ/mol - -analytic 6.537E+0 0E+0 -4.09569E+3 0E+0 0E+0 - -- 2.000H+ + 1.000Am+3 + 2.000H2O = Am(OH)2+ - log_k -15.100 #03GUI/FAN, 88STA/KIM1, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE - delta_h 143.704 #kJ/mol - # Enthalpy of formation: -1044.656 #kJ/mol - -analytic 1.00758E+1 0E+0 -7.50617E+3 0E+0 0E+0 - -- 3.000H+ + 1.000Am+3 + 3.000H2O = Am(OH)3 - log_k -26.200 #03GUI/FAN, 88STA/KIM1, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE - delta_h 230.125 #kJ/mol - # Enthalpy of formation: -1244.065 #kJ/mol - -analytic 1.41161E+1 0E+0 -1.20202E+4 0E+0 0E+0 - -- 3.000H+ + 1.000Am+3 + 1.000HGlu- + 3.000H2O = Am(OH)3(HGlu)- - log_k -19.700 #05TIT/WIE - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.97E+1 0E+0 0E+0 0E+0 0E+0 - -- 3.000H+ + 1.000Am+3 + 1.000HIsa- + 3.000H2O = Am(OH)3(HIsa)- - log_k -21.500 #05TIT/WIE - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.15E+1 0E+0 0E+0 0E+0 0E+0 - -- 4.000H+ + 1.000Am+3 + 4.000H2O = Am(OH)4- - log_k -40.700 #07NEC/ALT2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.07E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Am+3 + 1.000Ox-2 = Am(Ox)+ - log_k 6.510 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.51E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Am+3 + 2.000Ox-2 = Am(Ox)2- - log_k 10.710 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.071E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Am+3 + 3.000Ox-2 = Am(Ox)3-3 - log_k 13.000 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.3E+1 0E+0 0E+0 0E+0 0E+0 - -- 4.000H+ + 1.000Am+3 + 2.000H2(PO4)- = Am(PO4)2-3 - log_k -19.430 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.943E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Am+3 + 1.000Phthalat-2 = Am(Phthalat)+ - log_k 4.930 #In analogy with Cm - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.93E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Am+3 + 1.000SO4-2 = Am(SO4)+ - log_k 3.450 #12GRI/GAR1 - delta_h 15.493 #kJ/mol - # Enthalpy of formation: -1510.547 #kJ/mol - -analytic 6.16425E+0 0E+0 -8.09255E+2 0E+0 0E+0 - -1.000Am+3 + 2.000SO4-2 = Am(SO4)2- - log_k 4.570 #12GRI/GAR1 - delta_h 20.927 #kJ/mol - # Enthalpy of formation: -2414.453 #kJ/mol - -analytic 8.23625E+0 0E+0 -1.09309E+3 0E+0 0E+0 - -1.000Am+3 + 1.000Cl- = AmCl+2 - log_k 0.240 #97KÖN/FAN - delta_h 25.106 #kJ/mol - # Enthalpy of formation: -758.674 #kJ/mol - -analytic 4.63838E+0 0E+0 -1.31138E+3 0E+0 0E+0 - -1.000Am+3 + 2.000Cl- = AmCl2+ - log_k -0.740 #97KÖN/FAN - delta_h 40.568 #kJ/mol - # Enthalpy of formation: -910.292 #kJ/mol - -analytic 6.3672E+0 0E+0 -2.11901E+3 0E+0 0E+0 - -1.000Am+3 + 1.000F- = AmF+2 - log_k 3.400 #03GUI/FAN - delta_h 27.134 #kJ/mol - # Enthalpy of formation: -924.916 #kJ/mol - -analytic 8.15367E+0 0E+0 -1.41731E+3 0E+0 0E+0 - -1.000Am+3 + 2.000F- = AmF2+ - log_k 5.800 #95SIL/BID - delta_h 22.320 #kJ/mol - # Enthalpy of formation: -1265.08 #kJ/mol - -analytic 9.71029E+0 0E+0 -1.16585E+3 0E+0 0E+0 - -1.000Am+3 + 3.000F- = AmF3 - log_k 10.820 #69AZI/LYL - delta_h -12.119 #kJ/mol - # Enthalpy of formation: -1634.869 #kJ/mol - -analytic 8.69685E+0 0E+0 6.33019E+2 0E+0 0E+0 - -1.000AmO2+ + 1.000CO3-2 = AmO2(CO3)- - log_k 5.100 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.1E+0 0E+0 0E+0 0E+0 0E+0 - -1.000AmO2+ + 2.000CO3-2 = AmO2(CO3)2-3 - log_k 6.700 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.7E+0 0E+0 0E+0 0E+0 0E+0 - -1.000AmO2+ + 3.000CO3-2 = AmO2(CO3)3-5 - log_k 5.100 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.1E+0 0E+0 0E+0 0E+0 0E+0 - -- 2.000H+ + 1.000AmO2+ + 2.000H2O = AmO2(OH)2- - log_k -23.600 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.36E+1 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000AmO2+ + 1.000H2O = AmO2OH - log_k -11.300 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.13E+1 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000Am+3 + 1.000H4(SiO4) = AmOSi(OH)3+2 - log_k -2.310 #Original data 07THA/SIN, 05PAN/KIM and 97STE/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.31E+0 0E+0 0E+0 0E+0 0E+0 - -- 2.000H+ + 1.000Am+3 + 1.000H2(PO4)- = AmPO4 - log_k -7.760 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -7.76E+0 0E+0 0E+0 0E+0 0E+0 - -- 3.000H+ + 1.000H3(AsO3) = AsO3-3 - log_k -38.590 #79IVA/VOR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.859E+1 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000B(OH)4- - 1.000H2O = B(OH)3 - log_k 9.240 - delta_h -13.514 #kJ/mol - # Enthalpy of formation: -1072.8 #kJ/mol #01LEM/FUG - -analytic 6.87245E+0 0E+0 7.05884E+2 0E+0 0E+0 - -2.000H+ + 3.000B(OH)4- - 7.000H2O = B3O5- - log_k 20.900 #97CRO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.09E+1 0E+0 0E+0 0E+0 0E+0 - -2.000H+ + 4.000B(OH)4- - 9.000H2O = B4O7-2 - log_k 21.900 #97CRO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.19E+1 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000F- + 1.000B(OH)4- - 1.000H2O = BF(OH)3- - log_k 8.940 #77NOR/JEN - delta_h -39.078 #kJ/mol #77NOR/JEN - # Enthalpy of formation: -1433.714 #kJ/mol - -analytic 2.09384E+0 0E+0 2.04118E+3 0E+0 0E+0 - -2.000H+ + 2.000F- + 1.000B(OH)4- - 2.000H2O = BF2(OH)2- - log_k 16.970 #77NOR/JEN - delta_h -38.702 #kJ/mol #77NOR/JEN - # Enthalpy of formation: -1482.858 #kJ/mol - -analytic 1.01897E+1 0E+0 2.02154E+3 0E+0 0E+0 - -3.000H+ + 3.000F- + 1.000B(OH)4- - 3.000H2O = BF3(OH)- - log_k 23.010 #77NOR/JEN - delta_h -38.326 #kJ/mol #77NOR/JEN - # Enthalpy of formation: -1532.002 #kJ/mol - -analytic 1.62956E+1 0E+0 2.0019E+3 0E+0 0E+0 - -4.000H+ + 4.000F- + 1.000B(OH)4- - 4.000H2O = BF4- - log_k 29.620 #77NOR/JEN - delta_h 73.680 #kJ/mol #77NOR/JEN - # Enthalpy of formation: -1616.876 #kJ/mol - -analytic 4.25282E+1 0E+0 -3.84857E+3 0E+0 0E+0 - -1.000Ba+2 + 1.000CO3-2 = Ba(CO3) - log_k 2.710 #86BUS/PLU - delta_h 14.841 #kJ/mol #86BUS/PLU - # Enthalpy of formation: -1195.189 #kJ/mol - -analytic 5.31003E+0 0E+0 -7.75198E+2 0E+0 0E+0 - -1.000Ba+2 + 1.000H+ + 1.000CO3-2 = Ba(HCO3)+ - log_k 11.310 #86BUS/PLU - delta_h 8.560 #kJ/mol #86BUS/PLU - # Enthalpy of formation: -1201.47 #kJ/mol - -analytic 1.28096E+1 0E+0 -4.47119E+2 0E+0 0E+0 - -1.000Ba+2 + 1.000NO3- = Ba(NO3)+ - log_k -0.310 - delta_h 6.819 #kJ/mol - # Enthalpy of formation: -734.831 #kJ/mol - -analytic 8.84636E-1 0E+0 -3.56181E+2 0E+0 0E+0 - -1.000Ba+2 - 1.000H+ + 1.000H2O = Ba(OH)+ - log_k -13.470 #76BAE/MES - delta_h 87.395 #kJ/mol - # Enthalpy of formation: -733.235 #kJ/mol - -analytic 1.84092E+0 0E+0 -4.56495E+3 0E+0 0E+0 - -1.000Ba+2 + 1.000SO4-2 = Ba(SO4) - log_k 2.700 #76SMI/MAR - delta_h 7.367 #kJ/mol - # Enthalpy of formation: -1436.773 #kJ/mol - -analytic 3.99064E+0 0E+0 -3.84805E+2 0E+0 0E+0 - -1.000Ba+2 + 1.000B(OH)4- = BaB(OH)4+ - log_k 1.490 #80BAS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.49E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ba+2 + 1.000F- = BaF+ - log_k 0.400 - delta_h 6.697 #kJ/mol - # Enthalpy of formation: -863.452 #kJ/mol #97SVE/SHO - -analytic 1.57326E+0 0E+0 -3.49808E+2 0E+0 0E+0 - -2.000H+ + 1.000CO3-2 - 1.000H2O - 0.500O2 = CO - log_k -31.390 - delta_h 262.373 #kJ/mol - # Enthalpy of formation: -120.96 #kJ/mol #82WAG/EVA - -analytic 1.45757E+1 0E+0 -1.37047E+4 0E+0 0E+0 - -2.000H+ + 1.000CO3-2 - 1.000H2O = CO2 - log_k 16.680 - delta_h -23.860 #kJ/mol - # Enthalpy of formation: -413.26 #kJ/mol #89COX/WAG - -analytic 1.24999E+1 0E+0 1.24629E+3 0E+0 0E+0 - -1.000Ca+2 + 1.000Acetate- = Ca(Acetate)+ - log_k 1.120 #95DER/DIG - delta_h -19.338 #kJ/mol - # Enthalpy of formation: -1048.348 #kJ/mol - -analytic -2.26787E+0 0E+0 1.01009E+3 0E+0 0E+0 - -1.000Ca+2 + 1.000Adipate-2 = Ca(Adipate) - log_k 2.190 #04MAR/SMI from 40TOP/DAV - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.19E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 - 3.000H+ + 1.000Am+3 + 3.000H2O = Ca(Am(OH)3)+2 - log_k -26.300 #07RAB/ALT - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000AsO4-3 = Ca(AsO4)- - log_k 5.770 #10MAR/ACC - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.77E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000Cit-3 = Ca(Cit)- - log_k 4.800 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: -2062.92 #kJ/mol - -analytic 4.8E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 - 3.000H+ + 1.000Cm+3 + 3.000H2O = Ca(Cm(OH)3)+2 - log_k -26.300 #07RAB/ALT - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000Edta-4 = Ca(Edta)-2 - log_k 12.690 #05HUM/AND - delta_h -22.200 #kJ/mol - # Enthalpy of formation: -2270 #kJ/mol - -analytic 8.80073E+0 0E+0 1.15959E+3 0E+0 0E+0 - -1.000Ca+2 + 1.000Eu+3 - 3.000H+ + 3.000H2O = Ca(Eu(OH)3)+2 - log_k -26.300 #07RAB/ALT - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 2.000H+ + 1.000AsO4-3 = Ca(H2AsO4)+ - log_k 19.870 #10MAR/ACC - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.987E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 2.000H+ + 1.000Cit-3 = Ca(H2Cit)+ - log_k 12.670 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.267E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000H2(PO4)- = Ca(H2PO4)+ - log_k 1.410 #68CHU/MAR - delta_h 14.226 #kJ/mol #68CHU/MAR - # Enthalpy of formation: -1831.374 #kJ/mol - -analytic 3.90228E+0 0E+0 -7.43075E+2 0E+0 0E+0 - -1.000Ca+2 - 1.000H+ + 1.000H4(SiO4) = Ca(H3SiO4)+ - log_k -8.830 #97SVE/SHO - delta_h 31.633 #kJ/mol - # Enthalpy of formation: -1972.561 #kJ/mol - -analytic -3.28814E+0 0E+0 -1.6523E+3 0E+0 0E+0 - -1.000Ca+2 + 1.000H+ + 1.000AsO4-3 = Ca(HAsO4) - log_k 13.900 #10MAR/ACC - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.39E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000H+ + 1.000CO3-2 = Ca(HCO3)+ - log_k 11.430 #96BOU1 - delta_h -23.597 #kJ/mol - # Enthalpy of formation: -1241.827 #kJ/mol - -analytic 7.29599E+0 0E+0 1.23256E+3 0E+0 0E+0 - -1.000Ca+2 + 1.000H+ + 1.000Cit-3 = Ca(HCit) - log_k 9.280 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.28E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000H+ + 1.000Edta-4 = Ca(HEdta)- - log_k 16.230 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.623E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000HGlu- = Ca(HGlu)+ - log_k 1.730 #52SCH/LIN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.73E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000HIsa- = Ca(HIsa)+ - log_k 1.700 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.7E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000H+ + 1.000Malonate-2 = Ca(HMalonate)+ - log_k 6.640 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.64E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000H+ + 1.000Nta-3 = Ca(HNta) - log_k 13.400 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.34E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 2.000H+ + 2.000Nta-3 = Ca(HNta)2-2 - log_k 23.630 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.363E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 - 1.000H+ + 1.000H2(PO4)- = Ca(HPO4) - log_k -4.470 #68CHU/MAR - delta_h 17.407 #kJ/mol #68CHU/MAR - # Enthalpy of formation: -1828.193 #kJ/mol - -analytic -1.42043E+0 0E+0 -9.0923E+2 0E+0 0E+0 - -1.000Ca+2 + 1.000H+ + 1.000Phthalat-2 = Ca(HPhthalat)+ - log_k 6.420 #85DAN/DER - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.42E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000H+ + 1.000Pyrophos-4 = Ca(HPyrophos)- - log_k 13.800 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.38E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000H+ + 1.000Succinat-2 = Ca(HSuccinat)+ - log_k 6.790 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.79E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 - 3.000H+ + 1.000Ho+3 + 3.000H2O = Ca(Ho(OH)3)+2 - log_k -26.300 #07RAB/ALT - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000IO3- = Ca(IO3)+ - log_k 0.400 #estimation NEA87 08/2/95 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 - 1.000H+ + 1.000HIsa- = Ca(Isa) - log_k -10.400 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.04E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000Malonate-2 = Ca(Malonate) - log_k 2.430 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.43E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000NH3 = Ca(NH3)+2 - log_k -0.100 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 2.000NH3 = Ca(NH3)2+2 - log_k -0.700 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -7E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 3.000NH3 = Ca(NH3)3+2 - log_k -1.500 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.5E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 4.000NH3 = Ca(NH3)4+2 - log_k -2.600 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.6E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000Nta-3 = Ca(Nta)- - log_k 7.730 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7.73E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 - 1.000H+ + 1.000HGlu- + 1.000H2O = Ca(OH)(HGlu) - log_k -10.400 #02TIT/WIE - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.04E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 - 1.000H+ + 1.000H2O = Ca(OH)+ - log_k -12.780 #87GAR/PAR - delta_h 77.206 #kJ/mol - # Enthalpy of formation: -751.624 #kJ/mol - -analytic 7.45891E-1 0E+0 -4.03274E+3 0E+0 0E+0 - -1.000Ca+2 + 1.000Ox-2 = Ca(Ox) - log_k 3.190 #05HUM/AND - delta_h 6.807 #kJ/mol - # Enthalpy of formation: -1366.853 #kJ/mol - -analytic 4.38253E+0 0E+0 -3.55554E+2 0E+0 0E+0 - -1.000Ca+2 + 2.000Ox-2 = Ca(Ox)2-2 - log_k 4.020 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.02E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 - 2.000H+ + 1.000H2(PO4)- = Ca(PO4)- - log_k -13.100 #68CHU/MAR - delta_h 31.170 #kJ/mol - # Enthalpy of formation: -1814.43 #kJ/mol - -analytic -7.63926E+0 0E+0 -1.62812E+3 0E+0 0E+0 - -1.000Ca+2 + 1.000Phthalat-2 = Ca(Phthalat) - log_k 2.490 #85DAN/DER - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.49E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000Pyrophos-4 = Ca(Pyrophos)-2 - log_k 7.500 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7.5E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000S2O3-2 = Ca(S2O3) - log_k 1.900 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de Hatches3.0) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: -1191.5 #kJ/mol - -analytic 1.9E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000SO4-2 = Ca(SO4) - log_k 2.310 #53BEL/GEO - delta_h 4.292 #kJ/mol - # Enthalpy of formation: -1448.048 #kJ/mol - -analytic 3.06193E+0 0E+0 -2.24186E+2 0E+0 0E+0 - -1.000Ca+2 + 1.000SeO4-2 = Ca(SeO4) - log_k 2.000 #05OLI/NOL - delta_h 1.475 #kJ/mol - # Enthalpy of formation: -1145.025 #kJ/mol - -analytic 2.25841E+0 0E+0 -7.70445E+1 0E+0 0E+0 - -1.000Ca+2 + 1.000Sm+3 - 3.000H+ + 3.000H2O = Ca(Sm(OH)3)+2 - log_k -26.300 #07RAB/ALT - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000Succinat-2 = Ca(Succinat) - log_k 2.340 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.34E+0 0E+0 0E+0 0E+0 0E+0 - -2.000Ca+2 - 4.000H+ + 1.000Am+3 + 4.000H2O = Ca2(Am(OH)4)+3 - log_k -37.200 #07RAB/ALT - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0 - -2.000Ca+2 - 4.000H+ + 1.000Cm+3 + 4.000H2O = Ca2(Cm(OH)4)+3 - log_k -37.200 #07RAB/ALT - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0 - -2.000Ca+2 + 1.000Eu+3 - 4.000H+ + 4.000H2O = Ca2(Eu(OH)4)+3 - log_k -37.200 #07RAB/ALT - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0 - -2.000Ca+2 - 4.000H+ + 1.000Ho+3 + 4.000H2O = Ca2(Ho(OH)4)+3 - log_k -37.200 #07RAB/ALT - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0 - -2.000Ca+2 + 1.000Sm+3 - 4.000H+ + 4.000H2O = Ca2(Sm(OH)4)+3 - log_k -37.200 #07RAB/ALT - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0 - -2.000Ca+2 + 3.000CO3-2 + 1.000UO2+2 = Ca2UO2(CO3)3 - log_k 30.700 #06DON/BRO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.07E+1 0E+0 0E+0 0E+0 0E+0 - -3.000Ca+2 - 6.000H+ + 1.000Am+3 + 6.000H2O = Ca3(Am(OH)6)+3 - log_k -60.700 #07RAB/ALT - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0 - -3.000Ca+2 - 6.000H+ + 1.000Cm+3 + 6.000H2O = Ca3(Cm(OH)6)+3 - log_k -60.700 #07RAB/ALT - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0 - -3.000Ca+2 + 1.000Eu+3 - 6.000H+ + 6.000H2O = Ca3(Eu(OH)6)+3 - log_k -60.700 #07RAB/ALT - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0 - -3.000Ca+2 - 6.000H+ + 1.000Ho+3 + 6.000H2O = Ca3(Ho(OH)6)+3 - log_k -60.700 #07RAB/ALT - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0 - -3.000Ca+2 + 1.000Sm+3 - 6.000H+ + 6.000H2O = Ca3(Sm(OH)6)+3 - log_k -60.700 #07RAB/ALT - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0 - -4.000Ca+2 + 1.000Th+4 - 8.000H+ + 8.000H2O = Ca4Th(OH)8+4 - log_k -63.100 #08ALT/NEC - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.31E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000B(OH)4- = CaB(OH)4+ - log_k 1.800 #97CRO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.8E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000CO3-2 = CaCO3 - log_k 3.220 #96BOU1 - delta_h 14.830 #kJ/mol - # Enthalpy of formation: -1203.4 #kJ/mol #96BOU1 - -analytic 5.8181E+0 0E+0 -7.74624E+2 0E+0 0E+0 - -1.000Ca+2 + 1.000CrO4-2 = CaCrO4 - log_k 2.770 #00PER/PAL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.77E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000F- = CaF+ - log_k 0.940 #ANDRA, CRP OHEM 95.002, X. BOURBON, janvier1996; Sélection de données thermodynamiques afférentes aux corrections de Température sur les principaux équilibres chimiques en milieu naturel - delta_h 17.238 #kJ/mol - # Enthalpy of formation: -861.112 #kJ/mol - -analytic 3.95996E+0 0E+0 -9.00402E+2 0E+0 0E+0 - -1.000Ca+2 + 1.000I- = CaI+ - log_k 0.140 #estimation NEA87 08/2/95 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.4E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 2.000I- = CaI2 - log_k -0.020 #estimation NEA87 08/2/95 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2E-2 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000Th+4 - 4.000H+ + 1.000HGlu- + 4.000H2O = CaTh(OH)4(HGlu)+ - log_k -9.000 #13COL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -9E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000Th+4 - 4.000H+ + 1.000HIsa- + 4.000H2O = CaTh(OH)4(HIsa)+ - log_k -9.000 #13COL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -9E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000UO2+2 + 3.000CO3-2 = CaUO2(CO3)3-2 - log_k 27.180 #06DON/BRO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.718E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 + 1.000CO3-2 = Cd(CO3) - log_k 4.700 #91RAI/FEL1 - delta_h 4.299 #kJ/mol - # Enthalpy of formation: -746.851 #kJ/mol - -analytic 5.45315E+0 0E+0 -2.24552E+2 0E+0 0E+0 - -1.000Cd+2 + 2.000CO3-2 = Cd(CO3)2-2 - log_k 6.500 #91RAI/FEL1 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.5E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 + 1.000Cn- = Cd(Cn)+ - log_k 5.300 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.3E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 + 2.000Cn- = Cd(Cn)2 - log_k 10.340 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.034E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 + 3.000Cn- = Cd(Cn)3- - log_k 14.810 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.481E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 + 4.000Cn- = Cd(Cn)4-2 - log_k 18.250 - delta_h -98.480 #kJ/mol - # Enthalpy of formation: 428.096 #kJ/mol - -analytic 9.9707E-1 0E+0 5.14396E+3 0E+0 0E+0 - -1.000Cd+2 + 1.000H2(PO4)- = Cd(H2PO4)+ - log_k 1.800 #01AYA/MAD - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.8E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 + 1.000H+ + 1.000CO3-2 = Cd(HCO3)+ - log_k 11.830 #93STI/PAR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.183E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 + 2.000HS- = Cd(HS)2 - log_k 14.430 #99WAN/TES - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.443E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 + 1.000NH3 = Cd(NH3)+2 - log_k 2.520 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.52E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 + 2.000NH3 = Cd(NH3)2+2 - log_k 4.870 - delta_h -27.965 #kJ/mol - # Enthalpy of formation: -266.225 #kJ/mol - -analytic -2.92505E-2 0E+0 1.46071E+3 0E+0 0E+0 - -1.000Cd+2 + 3.000NH3 = Cd(NH3)3+2 - log_k 5.930 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.93E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 + 4.000NH3 = Cd(NH3)4+2 - log_k 7.300 - delta_h -49.714 #kJ/mol - # Enthalpy of formation: -450.314 #kJ/mol - -analytic -1.40951E+0 0E+0 2.59674E+3 0E+0 0E+0 - -1.000Cd+2 + 1.000NO3- = Cd(NO3)+ - log_k 0.460 #74FED/ROB in 82HÖG - delta_h -21.757 #kJ/mol #74NAU/RYZ in 91BAL/NOR - # Enthalpy of formation: -304.527 #kJ/mol - -analytic -3.35166E+0 0E+0 1.13645E+3 0E+0 0E+0 - -1.000Cd+2 + 2.000NO3- = Cd(NO3)2 - log_k 0.170 #97CRO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.7E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 - 1.000H+ + 1.000H2O = Cd(OH)+ - log_k -10.080 #81BAE/MES - delta_h 54.810 #kJ/mol #81BAE/MES - # Enthalpy of formation: -306.94 #kJ/mol - -analytic -4.77714E-1 0E+0 -2.86292E+3 0E+0 0E+0 - -1.000Cd+2 - 2.000H+ + 2.000H2O = Cd(OH)2 - log_k -20.900 #91RAI/FEL1 - delta_h 114.900 #kJ/mol - # Enthalpy of formation: -532.68 #kJ/mol - -analytic -7.70414E-1 0E+0 -6.00164E+3 0E+0 0E+0 - -1.000Cd+2 - 3.000H+ + 3.000H2O = Cd(OH)3- - log_k -33.300 #81BAE/MES - delta_h 156.416 #kJ/mol - # Enthalpy of formation: -776.994 #kJ/mol - -analytic -5.89713E+0 0E+0 -8.17016E+3 0E+0 0E+0 - -1.000Cd+2 - 4.000H+ + 4.000H2O = Cd(OH)4-2 - log_k -47.480 #91RAI/FEL1 - delta_h 229.571 #kJ/mol - # Enthalpy of formation: -989.669 #kJ/mol - -analytic -7.26095E+0 0E+0 -1.19913E+4 0E+0 0E+0 - -1.000Cd+2 + 1.000Pyrophos-4 = Cd(Pyrophos)-2 - log_k 8.700 #92CLE/DER - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.7E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 + 1.000S2O3-2 = Cd(S2O3) - log_k 2.460 - delta_h 5.405 #kJ/mol - # Enthalpy of formation: -722.801 #kJ/mol #74NAU/RYZ - -analytic 3.40691E+0 0E+0 -2.82322E+2 0E+0 0E+0 - -1.000Cd+2 + 1.000SO4-2 = Cd(SO4) - log_k 2.370 #97MAR/SMI - delta_h 8.700 #kJ/mol #97MAR/SMI - # Enthalpy of formation: -976.56 #kJ/mol - -analytic 3.89417E+0 0E+0 -4.54432E+2 0E+0 0E+0 - -1.000Cd+2 + 2.000SO4-2 = Cd(SO4)2-2 - log_k 3.440 #76SMI/MAR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.44E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 + 1.000H+ + 1.000Cn- + 1.000HSe- - 1.000H2O + 0.500O2 = Cd(SeCn)+ - log_k 58.260 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.826E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 + 2.000H+ + 2.000Cn- + 2.000HSe- - 2.000H2O + 1.000O2 = Cd(SeCn)2 - log_k 115.370 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.1537E+2 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 + 3.000H+ + 3.000Cn- + 3.000HSe- - 3.000H2O + 1.500O2 = Cd(SeCn)3- - log_k 171.860 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.7186E+2 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 + 4.000H+ + 4.000Cn- + 4.000HSe- - 4.000H2O + 2.000O2 = Cd(SeCn)4-2 - log_k 228.670 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.2867E+2 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 + 1.000SeO4-2 = Cd(SeO4) - log_k 2.270 #05OLI/NOL - delta_h 8.300 #kJ/mol #05OLI/NOL - # Enthalpy of formation: -671.12 #kJ/mol - -analytic 3.7241E+0 0E+0 -4.33539E+2 0E+0 0E+0 - -4.000Cd+2 - 4.000H+ + 4.000H2O = Cd4(OH)4+4 - log_k -32.070 - delta_h 172.135 #kJ/mol - # Enthalpy of formation: -1274.865 #kJ/mol #99YUN/GLU - -analytic -1.91329E+0 0E+0 -8.99122E+3 0E+0 0E+0 - -1.000Cd+2 + 1.000Br- = CdBr+ - log_k 2.160 - delta_h -7.959 #kJ/mol - # Enthalpy of formation: -205.289 #kJ/mol - -analytic 7.65645E-1 0E+0 4.15727E+2 0E+0 0E+0 - -1.000Cd+2 + 2.000Br- = CdBr2 - log_k 2.920 - delta_h -15.742 #kJ/mol - # Enthalpy of formation: -334.482 #kJ/mol - -analytic 1.62124E-1 0E+0 8.22261E+2 0E+0 0E+0 - -1.000Cd+2 + 3.000Br- = CdBr3- - log_k 3.190 - delta_h -28.845 #kJ/mol - # Enthalpy of formation: -468.995 #kJ/mol - -analytic -1.86342E+0 0E+0 1.50668E+3 0E+0 0E+0 - -1.000Cd+2 + 1.000Cl- = CdCl+ - log_k 1.970 #76BAE/MES - delta_h -5.520 #kJ/mol - # Enthalpy of formation: -248.52 #kJ/mol - -analytic 1.00294E+0 0E+0 2.88329E+2 0E+0 0E+0 - -1.000Cd+2 + 2.000Cl- = CdCl2 - log_k 2.590 #76BAE/MES - delta_h -14.068 #kJ/mol - # Enthalpy of formation: -424.148 #kJ/mol - -analytic 1.25396E-1 0E+0 7.34822E+2 0E+0 0E+0 - -1.000Cd+2 + 3.000Cl- = CdCl3- - log_k 2.400 #76BAE/MES - delta_h -25.804 #kJ/mol - # Enthalpy of formation: -602.964 #kJ/mol - -analytic -2.12066E+0 0E+0 1.34783E+3 0E+0 0E+0 - -1.000Cd+2 + 4.000Cl- = CdCl4-2 - log_k 1.470 #76BAE/MES - delta_h -44.765 #kJ/mol - # Enthalpy of formation: -789.005 #kJ/mol - -analytic -6.37248E+0 0E+0 2.33824E+3 0E+0 0E+0 - -1.000Cd+2 - 1.000H+ + 1.000H2(PO4)- = CdHPO4 - log_k -2.380 #01AYA/MAD - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.38E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 + 1.000HS- = CdHS+ - log_k 7.380 #99WAN/TES - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7.38E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 + 1.000I- = CdI+ - log_k 2.090 - delta_h -8.739 #kJ/mol - # Enthalpy of formation: -141.439 #kJ/mol - -analytic 5.58995E-1 0E+0 4.56469E+2 0E+0 0E+0 - -1.000Cd+2 + 2.000I- = CdI2 - log_k 3.520 - delta_h -18.988 #kJ/mol - # Enthalpy of formation: -208.468 #kJ/mol - -analytic 1.9345E-1 0E+0 9.91811E+2 0E+0 0E+0 - -1.000Cd+2 + 3.000I- = CdI3- - log_k 4.640 - delta_h -38.647 #kJ/mol - # Enthalpy of formation: -284.907 #kJ/mol - -analytic -2.13065E+0 0E+0 2.01867E+3 0E+0 0E+0 - -1.000Cd+2 + 4.000I- = CdI4-2 - log_k 5.480 - delta_h -75.609 #kJ/mol - # Enthalpy of formation: -378.649 #kJ/mol - -analytic -7.76611E+0 0E+0 3.94933E+3 0E+0 0E+0 - -2.000Cl- - 1.000H2O + 2.000H+ + 0.500O2 = Cl2 - log_k -4.220 - delta_h 30.997 #kJ/mol - # Enthalpy of formation: -23.4 #kJ/mol #82WAG/EVA - -analytic 1.21043E+0 0E+0 -1.61908E+3 0E+0 0E+0 - -1.000Cl- + 2.000O2 = ClO4- - log_k -16.130 - delta_h 63.248 #kJ/mol - # Enthalpy of formation: -128.1 #kJ/mol #89COX/WAG - -analytic -5.04944E+0 0E+0 -3.30367E+3 0E+0 0E+0 - -1.000Cm+3 + 1.000Acetate- = Cm(Acetate)+2 - log_k 3.010 #11RIC/GRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.01E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cm+3 + 2.000Acetate- = Cm(Acetate)2+ - log_k 4.960 #12GRI/GAR2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.96E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cm+3 + 3.000Acetate- = Cm(Acetate)3 - log_k 6.300 #69MOS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.3E+0 0E+0 0E+0 0E+0 0E+0 - -2.000CO3-2 + 1.000Cm+3 = Cm(CO3)2- - log_k 12.600 #06DUR/CER - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.26E+1 0E+0 0E+0 0E+0 0E+0 - -3.000CO3-2 + 1.000Cm+3 = Cm(CO3)3-3 - log_k 14.600 #06DUR/CER - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.46E+1 0E+0 0E+0 0E+0 0E+0 - -1.000H2(PO4)- + 1.000Cm+3 = Cm(H2PO4)+2 - log_k 2.400 #estimated by correlation with Ln(III) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.4E+0 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000H2(PO4)- + 1.000Cm+3 = Cm(HPO4)+ - log_k -1.700 #estimated by correlation with Ln(III) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.7E+0 0E+0 0E+0 0E+0 0E+0 - -- 2.000H+ + 2.000H2(PO4)- + 1.000Cm+3 = Cm(HPO4)2- - log_k -5.210 #estimated by correlation with Ln(III) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.21E+0 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000Cm+3 + 1.000H2O = Cm(OH)+2 - log_k -7.200 #03GUI/FAN - delta_h 79.365 #kJ/mol - # Enthalpy of formation: -821.465 #kJ/mol - -analytic 6.70413E+0 0E+0 -4.14552E+3 0E+0 0E+0 - -- 2.000H+ + 1.000Cm+3 + 2.000H2O = Cm(OH)2+ - log_k -15.100 #03GUI/FAN - delta_h 144.956 #kJ/mol - # Enthalpy of formation: -1041.704 #kJ/mol - -analytic 1.02952E+1 0E+0 -7.57157E+3 0E+0 0E+0 - -- 3.000H+ + 1.000Cm+3 + 3.000H2O = Cm(OH)3 - log_k -26.200 #03GUI/FAN - delta_h 231.675 #kJ/mol - # Enthalpy of formation: -1240.815 #kJ/mol - -analytic 1.43877E+1 0E+0 -1.21012E+4 0E+0 0E+0 - -- 4.000H+ + 1.000Cm+3 + 4.000H2O = Cm(OH)4- - log_k -40.700 #07NEC/ALT2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.07E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ox-2 + 1.000Cm+3 = Cm(Ox)+ - log_k 6.480 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.48E+0 0E+0 0E+0 0E+0 0E+0 - -2.000Ox-2 + 1.000Cm+3 = Cm(Ox)2- - log_k 10.400 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.04E+1 0E+0 0E+0 0E+0 0E+0 - -3.000Ox-2 + 1.000Cm+3 = Cm(Ox)3-3 - log_k 12.840 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.284E+1 0E+0 0E+0 0E+0 0E+0 - -- 4.000H+ + 2.000H2(PO4)- + 1.000Cm+3 = Cm(PO4)2-3 - log_k -19.230 #estimated by corrlation with Ln(III) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.923E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Cm+3 + 1.000Phthalat-2 = Cm(Phthalat)+ - log_k 4.930 #11GRI/COL3 from 95PAN/KLE - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.93E+0 0E+0 0E+0 0E+0 0E+0 - -2.000SO4-2 + 1.000Cm+3 = Cm(SO4)2- - log_k 4.570 #12SKE/PAN, same as Am, revised in the 2012 update. - delta_h 20.880 #kJ/mol - # Enthalpy of formation: -2412.8 #kJ/mol #estimated by analogy with Ln - -analytic 8.22801E+0 0E+0 -1.09064E+3 0E+0 0E+0 - -1.000CO3-2 + 1.000Cm+3 = CmCO3+ - log_k 7.900 #06DUR/CER - delta_h 153.982 #kJ/mol - # Enthalpy of formation: -1136.248 #kJ/mol - -analytic 3.48764E+1 0E+0 -8.04303E+3 0E+0 0E+0 - -1.000Cl- + 1.000Cm+3 = CmCl+2 - log_k 0.240 #03GUI/FAN, same as Am - delta_h 22.512 #kJ/mol - # Enthalpy of formation: -759.568 #kJ/mol - -analytic 4.18393E+0 0E+0 -1.17588E+3 0E+0 0E+0 - -2.000Cl- + 1.000Cm+3 = CmCl2+ - log_k -0.740 #03GUI/FAN, same as Am - delta_h 41.165 #kJ/mol - # Enthalpy of formation: -907.995 #kJ/mol - -analytic 6.47179E+0 0E+0 -2.15019E+3 0E+0 0E+0 - -1.000F- + 1.000Cm+3 = CmF+2 - log_k 3.400 #03GUI/FAN, same as Am - delta_h 25.613 #kJ/mol - # Enthalpy of formation: -924.737 #kJ/mol - -analytic 7.8872E+0 0E+0 -1.33786E+3 0E+0 0E+0 - -2.000F- + 1.000Cm+3 = CmF2+ - log_k 5.800 #03GUI/FAN, same as Am - delta_h 20.620 #kJ/mol - # Enthalpy of formation: -1265.08 #kJ/mol - -analytic 9.41246E+0 0E+0 -1.07706E+3 0E+0 0E+0 - -3.000F- + 1.000Cm+3 = CmF3 - log_k 11.180 #69AZI/LYL - delta_h -15.485 #kJ/mol - # Enthalpy of formation: -1636.535 #kJ/mol - -analytic 8.46715E+0 0E+0 8.08837E+2 0E+0 0E+0 - -1.000H+ + 1.000CO3-2 + 1.000Cm+3 = CmHCO3+2 - log_k 13.430 #03GUI/FAN, same as Am - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.343E+1 0E+0 0E+0 0E+0 0E+0 - -1.000NO3- + 1.000Cm+3 = CmNO3+2 - log_k 1.330 #95SIL/BID - delta_h 1.800 #kJ/mol #09SKE/PAN - # Enthalpy of formation: -819.926 #kJ/mol - -analytic 1.64535E+0 0E+0 -9.40204E+1 0E+0 0E+0 - -- 2.000H+ + 1.000H2(PO4)- + 1.000Cm+3 = CmPO4 - log_k -7.660 #estimated by correlation with Ln(III) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -7.66E+0 0E+0 0E+0 0E+0 0E+0 - -1.000SO4-2 + 1.000Cm+3 = CmSO4+ - log_k 3.450 #12SKE/PAN, same as Am, revised in the 2012 update. - delta_h 15.640 #kJ/mol - # Enthalpy of formation: -1508.7 #kJ/mol #estimated by analogy with Ln - -analytic 6.19001E+0 0E+0 -8.16933E+2 0E+0 0E+0 - -- 1.000H+ + 1.000H4(SiO4) + 1.000Cm+3 = CmSiO(OH)3+2 - log_k -2.310 #Original data 07THA/SIN, 05PAN/KIM and 97STE/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.31E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Co+2 + 2.000HS- = Co(HS)2 - log_k 8.770 #66KHO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.77E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Co+2 - 1.000H+ + 1.000H2O = Co(OH)+ - log_k -9.230 #98PLY/ZHA1 - delta_h 45.962 #kJ/mol - # Enthalpy of formation: -297.468 #kJ/mol - -analytic -1.17782E+0 0E+0 -2.40076E+3 0E+0 0E+0 - -1.000Co+2 - 2.000H+ + 2.000H2O = Co(OH)2 - log_k -18.600 #98PLY/ZHA1 - delta_h 105.707 #kJ/mol - # Enthalpy of formation: -523.553 #kJ/mol - -analytic -8.09557E-2 0E+0 -5.52145E+3 0E+0 0E+0 - -1.000Co+2 - 3.000H+ + 3.000H2O = Co(OH)3- - log_k -31.700 #98PLY/ZHA1 - delta_h 160.297 #kJ/mol - # Enthalpy of formation: -754.792 #kJ/mol - -analytic -3.61721E+0 0E+0 -8.37288E+3 0E+0 0E+0 - -1.000Co+2 - 4.000H+ + 4.000H2O = Co(OH)4-2 - log_k -46.420 #98PLY/ZHA1 - delta_h 214.483 #kJ/mol - # Enthalpy of formation: -986.436 #kJ/mol - -analytic -8.84425E+0 0E+0 -1.12032E+4 0E+0 0E+0 - -1.000Co+2 + 1.000H+ + 1.000Cn- + 1.000HSe- - 1.000H2O + 0.500O2 = Co(SeCn)+ - log_k 57.520 #75SAT/SAH - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.752E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Co+2 + 1.000SeO4-2 = Co(SeO4) - log_k 2.700 #05OLI/NOL - delta_h -3.654 #kJ/mol - # Enthalpy of formation: -664.754 #kJ/mol - -analytic 2.05985E+0 0E+0 1.90861E+2 0E+0 0E+0 - -2.000Co+2 - 1.000H+ + 1.000H2O = Co2(OH)+3 - log_k -9.830 #98PLY/ZHA1 - delta_h 30.030 #kJ/mol - # Enthalpy of formation: -371 #kJ/mol #98PLY/ZHA1 - -analytic -4.56898E+0 0E+0 -1.56857E+3 0E+0 0E+0 - -4.000Co+2 - 4.000H+ + 4.000H2O = Co4(OH)4+4 - log_k -29.880 #98PLY/ZHA1 - delta_h 149.720 #kJ/mol - # Enthalpy of formation: -1224 #kJ/mol #98PLY/ZHA1 - -analytic -3.65022E+0 0E+0 -7.82041E+3 0E+0 0E+0 - -1.000Co+2 + 1.000CO3-2 = CoCO3 - log_k 4.230 #97MAR/SMI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.23E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Co+2 + 1.000Cl- = CoCl+ - log_k 0.570 #81TUR/WHI - delta_h -2.180 #kJ/mol - # Enthalpy of formation: -226.859 #kJ/mol - -analytic 1.88081E-1 0E+0 1.13869E+2 0E+0 0E+0 - -1.000Co+2 + 2.000Cl- = CoCl2 - log_k 0.020 #06BLA/IGN - delta_h 4.074 #kJ/mol #06BLA/IGN - # Enthalpy of formation: -387.686 #kJ/mol - -analytic 7.33733E-1 0E+0 -2.128E+2 0E+0 0E+0 - -1.000Co+2 + 3.000Cl- = CoCl3- - log_k -1.710 #06BLA/IGN - delta_h 6.688 #kJ/mol #06BLA/IGN - # Enthalpy of formation: -552.152 #kJ/mol - -analytic -5.38314E-1 0E+0 -3.49338E+2 0E+0 0E+0 - -1.000Co+2 + 4.000Cl- = CoCl4-2 - log_k -2.090 #06BLA/IGN - delta_h 22.570 #kJ/mol #06BLA/IGN - # Enthalpy of formation: -703.35 #kJ/mol - -analytic 1.86409E+0 0E+0 -1.17891E+3 0E+0 0E+0 - -1.000Co+2 + 1.000F- = CoF+ - log_k 1.500 #97MAR/SMI - delta_h -0.631 #kJ/mol - # Enthalpy of formation: -393.581 #kJ/mol - -analytic 1.38945E+0 0E+0 3.29594E+1 0E+0 0E+0 - -1.000Co+2 + 1.000H+ + 1.000CO3-2 = CoHCO3+ - log_k 12.220 #97MAR/SMI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.222E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Co+2 - 1.000H+ + 1.000H2(PO4)- = CoHPO4 - log_k -4.150 #97MAR/SMI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.15E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Co+2 + 1.000HS- = CoHS+ - log_k 5.670 #66KHO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.67E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Co+2 + 1.000S2O3-2 = CoS2O3 - log_k 2.050 #51DEN/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.05E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Co+2 + 1.000SO4-2 = CoSO4 - log_k 2.300 #97MAR/SMI - delta_h 2.092 #kJ/mol #74NAU/RYZ - # Enthalpy of formation: -964.848 #kJ/mol - -analytic 2.6665E+0 0E+0 -1.09273E+2 0E+0 0E+0 - -1.000H2(PO4)- + 1.000Cr+3 = Cr(H2PO4)+2 - log_k 2.560 #66LAH/ADI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.56E+0 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000H2(PO4)- + 1.000Cr+3 = Cr(HPO4)+ - log_k 2.250 #76ALE/MAS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.25E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cr+3 + 2.000CO3-2 + 1.000H2O - 1.000H+ = Cr(OH)(CO3)2-2 - log_k 9.730 #07RAI/MOO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.73E+0 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000Cr+2 + 1.000H2O = Cr(OH)+ - log_k -5.300 #83MIC/DEB, 04CHI - delta_h 30.327 #kJ/mol - # Enthalpy of formation: -413.123 #kJ/mol - -analytic 1.30545E-2 0E+0 -1.58409E+3 0E+0 0E+0 - -- 1.000H+ + 1.000Cr+3 + 1.000H2O = Cr(OH)+2 - log_k -3.420 #04RAI/MOO - delta_h 37.165 #kJ/mol - # Enthalpy of formation: -489.164 #kJ/mol - -analytic 3.09102E+0 0E+0 -1.94126E+3 0E+0 0E+0 - -- 2.000H+ + 1.000Cr+3 + 2.000H2O = Cr(OH)2+ - log_k -8.900 #11GRI/COL4 - delta_h 93.201 #kJ/mol - # Enthalpy of formation: -718.958 #kJ/mol - -analytic 7.42809E+0 0E+0 -4.86822E+3 0E+0 0E+0 - -- 3.000H+ + 1.000Cr+3 + 3.000H2O = Cr(OH)3 - log_k -14.340 #04RAI/MOO - delta_h 143.689 #kJ/mol - # Enthalpy of formation: -954.3 #kJ/mol - -analytic 1.08332E+1 0E+0 -7.50539E+3 0E+0 0E+0 - -- 3.000H+ + 1.000H2(PO4)- + 1.000Cr+3 + 3.000H2O = Cr(OH)3(H2PO4)- - log_k -11.560 #04RAI/MOO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.156E+1 0E+0 0E+0 0E+0 0E+0 - -2.000H2(PO4)- + 1.000Cr+3 + 3.000H2O - 3.000H+ = Cr(OH)3(H2PO4)2-2 - log_k -10.860 #04RAI/MOO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.086E+1 0E+0 0E+0 0E+0 0E+0 - -- 4.000H+ + 1.000H2(PO4)- + 1.000Cr+3 + 3.000H2O = Cr(OH)3(HPO4)-2 - log_k -19.580 #04RAI/MOO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.958E+1 0E+0 0E+0 0E+0 0E+0 - -- 5.000H+ + 1.000H2(PO4)- + 1.000Cr+3 + 3.000H2O = Cr(OH)3(PO4)-3 - log_k -30.240 #98ZIE/JON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.024E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Cr+3 + 1.000CO3-2 + 4.000H2O - 4.000H+ = Cr(OH)4(CO3)-3 - log_k -25.690 #07RAI/MOO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.569E+1 0E+0 0E+0 0E+0 0E+0 - -- 5.000H+ + 2.000H2(PO4)- + 1.000Cr+3 + 4.000H2O = Cr(OH)4(HPO4)(H2PO4)-4 - log_k -28.760 #98ZIE/JON - delta_h 14.000 #kJ/mol #98ZIE/JON - # Enthalpy of formation: -3975.04 #kJ/mol - -analytic -2.63073E+1 0E+0 -7.3127E+2 0E+0 0E+0 - -- 4.000H+ + 1.000Cr+3 + 4.000H2O = Cr(OH)4- - log_k -25.860 #04RAI/MOO - delta_h 193.604 #kJ/mol - # Enthalpy of formation: -1190.214 #kJ/mol - -analytic 8.05792E+0 0E+0 -1.01126E+4 0E+0 0E+0 - -1.000Cr+3 + 1.000CO3-2 + 1.000H2O - 1.000H+ = Cr(OH)CO3 - log_k 4.000 #07RAI/MOO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4E+0 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 2.000Cl- + 1.000Cr+3 + 1.000H2O = Cr(OH)Cl2 - log_k -5.730 - delta_h 32.720 #kJ/mol - # Enthalpy of formation: -827.77 #kJ/mol #76DEL/HEP - -analytic 2.28952E-3 0E+0 -1.70908E+3 0E+0 0E+0 - -- 2.000H+ + 2.000Cr+3 + 2.000H2O = Cr2(OH)2+4 - log_k -4.000 #11GRI/COL4 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4E+0 0E+0 0E+0 0E+0 0E+0 - -2.000H+ + 2.000CrO4-2 - 1.000H2O = Cr2O7-2 - log_k 14.750 #87PAL/WES, 04CHI - delta_h -3.752 #kJ/mol - # Enthalpy of formation: -1475.923 #kJ/mol - -analytic 1.40927E+1 0E+0 1.9598E+2 0E+0 0E+0 - -- 4.000H+ + 3.000Cr+3 + 4.000H2O = Cr3(OH)4+5 - log_k -7.600 #11GRI/COL4 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -7.6E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Br- + 1.000Cr+3 = CrBr+2 - log_k -0.620 - delta_h 22.600 #kJ/mol - # Enthalpy of formation: -339.322 #kJ/mol #76DEL/HEP - -analytic 3.33934E+0 0E+0 -1.18048E+3 0E+0 0E+0 - -1.000Cl- + 1.000Cr+2 = CrCl+ - log_k 5.600 #91ALL/BRO - delta_h -20.200 #kJ/mol #91ALL/BRO - # Enthalpy of formation: -344.9 #kJ/mol - -analytic 2.06112E+0 0E+0 1.05512E+3 0E+0 0E+0 - -1.000Cl- + 1.000Cr+3 = CrCl+2 - log_k 0.620 #64SIL/MAR - delta_h 20.920 #kJ/mol #64SIL/MAR - # Enthalpy of formation: -386.66 #kJ/mol - -analytic 4.28502E+0 0E+0 -1.09273E+3 0E+0 0E+0 - -2.000Cl- + 1.000Cr+3 = CrCl2+ - log_k -0.710 #64SIL/MAR - delta_h 20.920 #kJ/mol #64SIL/MAR - # Enthalpy of formation: -553.74 #kJ/mol - -analytic 2.95502E+0 0E+0 -1.09273E+3 0E+0 0E+0 - -1.000F- + 1.000Cr+3 = CrF+2 - log_k 5.210 #81TUR/WHI - delta_h -2.510 #kJ/mol #53HEP/JOL - # Enthalpy of formation: -578.36 #kJ/mol - -analytic 4.77027E+0 0E+0 1.31106E+2 0E+0 0E+0 - -2.000F- + 1.000Cr+3 = CrF2+ - log_k 9.310 #81TUR/WHI - delta_h -0.418 #kJ/mol #53HEP/JOL - # Enthalpy of formation: -911.618 #kJ/mol - -analytic 9.23677E+0 0E+0 2.18336E+1 0E+0 0E+0 - -3.000F- + 1.000Cr+3 = CrF3 - log_k 11.910 #81TUR/WHI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.191E+1 0E+0 0E+0 0E+0 0E+0 - -2.000H+ + 1.000Cl- + 1.000CrO4-2 - 1.000H2O = CrO3Cl- - log_k 8.080 - delta_h 5.500 #kJ/mol - # Enthalpy of formation: -754.8 #kJ/mol #76DEL/HEP - -analytic 9.04356E+0 0E+0 -2.87285E+2 0E+0 0E+0 - -1.000SO4-2 + 1.000Cr+3 = CrSO4+ - log_k 4.610 #81TUR/WHI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.61E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cs+ + 1.000Cit-3 = Cs(Cit)-2 - log_k 0.980 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.8E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Cs+ + 1.000Edta-4 = Cs(Edta)-3 - log_k 1.300 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.3E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cs+ + 1.000Nta-3 = Cs(Nta)-2 - log_k 0.850 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.5E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Cs+ - 1.000H+ + 1.000H2O = Cs(OH) - log_k -15.640 - delta_h 65.736 #kJ/mol - # Enthalpy of formation: -478.094 #kJ/mol #97SHO/SAS2 - -analytic -4.12356E+0 0E+0 -3.43363E+3 0E+0 0E+0 - -1.000Cs+ + 1.000Br- = CsBr - log_k 0.090 - delta_h 5.922 #kJ/mol - # Enthalpy of formation: -373.488 #kJ/mol - -analytic 1.12749E+0 0E+0 -3.09327E+2 0E+0 0E+0 - -1.000Cs+ + 1.000Cl- = CsCl - log_k -0.090 - delta_h 7.523 #kJ/mol - # Enthalpy of formation: -417.557 #kJ/mol - -analytic 1.22797E+0 0E+0 -3.92953E+2 0E+0 0E+0 - -1.000Cs+ + 1.000F- = CsF - log_k -0.380 - delta_h 2.446 #kJ/mol - # Enthalpy of formation: -590.904 #kJ/mol - -analytic 4.85202E-2 0E+0 -1.27763E+2 0E+0 0E+0 - -1.000Cs+ + 1.000I- = CsI - log_k 1.050 - delta_h -0.055 #kJ/mol - # Enthalpy of formation: -314.835 #kJ/mol - -analytic 1.04036E+0 0E+0 2.87285E+0 0E+0 0E+0 - -1.000Cu+2 + 1.000B(OH)4- = Cu(B(OH)4)+ - log_k 7.130 #80BAS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7.13E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cu+2 + 2.000B(OH)4- = Cu(B(OH)4)2 - log_k 12.450 #80BAS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.245E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Cu+2 + 3.000B(OH)4- = Cu(B(OH)4)3- - log_k 15.170 #80BAS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.517E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Cu+2 + 1.000SeO4-2 = Cu(SeO4) - log_k 2.200 #Upper value suggested in 05OLI/NOL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.2E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 + 1.000Acetate- = Eu(Acetate)+2 - log_k 2.900 #12GRI/GAR2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.9E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 + 2.000Acetate- = Eu(Acetate)2+ - log_k 4.800 #12GRI/GAR2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.8E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 + 3.000Acetate- = Eu(Acetate)3 - log_k 5.600 #12GRI/GAR2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.6E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 + 1.000CO3-2 = Eu(CO3)+ - log_k 7.900 #95SPA/BRU - delta_h 167.549 #kJ/mol - # Enthalpy of formation: -1113.013 #kJ/mol - -analytic 3.72533E+1 0E+0 -8.75168E+3 0E+0 0E+0 - -1.000Eu+3 + 2.000CO3-2 = Eu(CO3)2- - log_k 12.900 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.29E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 + 3.000CO3-2 = Eu(CO3)3-3 - log_k 14.800 #05VER/VIT2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.48E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 + 1.000H2(PO4)- = Eu(H2PO4)+2 - log_k 2.400 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.4E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 + 1.000H+ + 1.000CO3-2 = Eu(HCO3)+2 - log_k 12.430 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.243E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 - 1.000H+ + 1.000H2(PO4)- = Eu(HPO4)+ - log_k -1.510 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.51E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 - 2.000H+ + 2.000H2(PO4)- = Eu(HPO4)2- - log_k -4.820 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.82E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 + 1.000Malonate-2 = Eu(Malonate)+ - log_k 5.430 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.43E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 + 2.000Malonate-2 = Eu(Malonate)2- - log_k 7.780 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7.78E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 + 1.000NO3- = Eu(NO3)+2 - log_k 1.210 #09RAO/TIA1 (Calculated usig SIT) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.21E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 - 1.000H+ + 1.000H2O = Eu(OH)+2 - log_k -7.800 #95SPA/BRU - delta_h 79.824 #kJ/mol - # Enthalpy of formation: -811.337 #kJ/mol - -analytic 6.18454E+0 0E+0 -4.16949E+3 0E+0 0E+0 - -1.000Eu+3 - 2.000H+ + 2.000H2O = Eu(OH)2+ - log_k -15.700 #07NEC/ALT2 - delta_h 144.521 #kJ/mol - # Enthalpy of formation: -1032.471 #kJ/mol - -analytic 9.61896E+0 0E+0 -7.54885E+3 0E+0 0E+0 - -1.000Eu+3 - 3.000H+ + 3.000H2O = Eu(OH)3 - log_k -26.200 #07NEC/ALT2 - delta_h 226.860 #kJ/mol - # Enthalpy of formation: -1235.961 #kJ/mol - -analytic 1.35441E+1 0E+0 -1.18497E+4 0E+0 0E+0 - -1.000HIsa- + 1.000Eu+3 + 3.000H2O - 3.000H+ = Eu(OH)3(HIsa)- - log_k -20.900 #05TIT/WIE - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.09E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 - 4.000H+ + 4.000H2O = Eu(OH)4- - log_k -40.700 #07NEC/ALT2 - delta_h 296.791 #kJ/mol - # Enthalpy of formation: -1451.86 #kJ/mol - -analytic 1.12955E+1 0E+0 -1.55025E+4 0E+0 0E+0 - -1.000Eu+3 + 1.000Ox-2 = Eu(Ox)+ - log_k 6.550 #Richard et al. 2011. Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.55E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 + 2.000Ox-2 = Eu(Ox)2- - log_k 10.930 # Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.093E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 + 3.000Ox-2 = Eu(Ox)3-3 - log_k 12.480 #Richard et al. 2011. Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.248E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 - 2.000H+ + 1.000H2(PO4)- = Eu(PO4) - log_k -7.360 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -7.36E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 - 4.000H+ + 2.000H2(PO4)- = Eu(PO4)2-3 - log_k -18.460 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.846E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 + 1.000Phthalat-2 = Eu(Phthalat)+ - log_k 4.960 #11GRI/COL3 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.96E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 + 2.000Phthalat-2 = Eu(Phthalat)2- - log_k 7.340 #11GRI/COL3 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7.34E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 + 1.000SO4-2 = Eu(SO4)+ - log_k 3.500 #95SPA/BRU - delta_h 15.577 #kJ/mol - # Enthalpy of formation: -1499.094 #kJ/mol - -analytic 6.22897E+0 0E+0 -8.13642E+2 0E+0 0E+0 - -1.000Eu+3 + 2.000SO4-2 = Eu(SO4)2- - log_k 5.200 #95SPA/BRU - delta_h 27.787 #kJ/mol - # Enthalpy of formation: -2396.224 #kJ/mol - -analytic 1.00681E+1 0E+0 -1.45141E+3 0E+0 0E+0 - -1.000Eu+3 + 1.000Succinat-2 = Eu(Succinat)+ - log_k 4.360 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.36E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 + 2.000Succinat-2 = Eu(Succinat)2- - log_k 6.500 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.5E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 + 1.000Br- = EuBr+2 - log_k 0.250 #95SPA/BRU - delta_h 16.223 #kJ/mol - # Enthalpy of formation: -710.518 #kJ/mol - -analytic 3.09214E+0 0E+0 -8.47385E+2 0E+0 0E+0 - -1.000Eu+3 + 2.000Br- = EuBr2+ - log_k -0.090 #95SPA/BRU - delta_h 26.498 #kJ/mol - # Enthalpy of formation: -821.653 #kJ/mol - -analytic 4.55224E+0 0E+0 -1.38408E+3 0E+0 0E+0 - -1.000Eu+3 + 1.000Cl- = EuCl+2 - log_k 0.760 #Original data 01LUO/BYR and 04LUO/BYR - delta_h 21.929 #kJ/mol - # Enthalpy of formation: -750.482 #kJ/mol - -analytic 4.60179E+0 0E+0 -1.14543E+3 0E+0 0E+0 - -1.000Eu+3 + 2.000Cl- = EuCl2+ - log_k -0.050 #95SPA/BRU - delta_h 35.334 #kJ/mol - # Enthalpy of formation: -904.158 #kJ/mol - -analytic 6.14024E+0 0E+0 -1.84562E+3 0E+0 0E+0 - -1.000Eu+3 + 1.000F- = EuF+2 - log_k 4.330 #07LUO/BYR - delta_h 24.956 #kJ/mol - # Enthalpy of formation: -915.725 #kJ/mol - -analytic 8.7021E+0 0E+0 -1.30354E+3 0E+0 0E+0 - -1.000Eu+3 + 2.000F- = EuF2+ - log_k 6.550 #Original data from 99SCH/BYR and 04LUO/BYR - delta_h 21.483 #kJ/mol - # Enthalpy of formation: -1254.548 #kJ/mol - -analytic 1.03137E+1 0E+0 -1.12213E+3 0E+0 0E+0 - -1.000Eu+3 + 3.000F- = EuF3 - log_k 10.600 #95SPA/BRU - delta_h -8.343 #kJ/mol - # Enthalpy of formation: -1619.724 #kJ/mol - -analytic 9.13837E+0 0E+0 4.35785E+2 0E+0 0E+0 - -1.000Eu+3 - 1.000H+ + 1.000H4(SiO4) = EuSiO(OH)3+2 - log_k -2.620 #Original data 07THA/SIN and 96JEN/CHO1 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.62E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 1.000B(OH)4- = Fe(B(OH)4)+2 - log_k 8.580 #80BAS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.58E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 2.000B(OH)4- = Fe(B(OH)4)2+ - log_k 15.540 #80BAS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.554E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 1.000CO3-2 = Fe(CO3) - log_k 5.690 #99CHI3 - delta_h -5.764 #kJ/mol - # Enthalpy of formation: -770.994 #kJ/mol - -analytic 4.68019E+0 0E+0 3.01074E+2 0E+0 0E+0 - -1.000Fe+2 + 2.000CO3-2 = Fe(CO3)2-2 - log_k 7.450 #98KIN in 99CHI3 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7.45E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 3.000CO3-2 = Fe(CO3)3-3 - log_k 24.240 #05GRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.424E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 1.000Cit-3 = Fe(Cit) - log_k 12.650 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.265E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 - 1.000H+ + 1.000Cit-3 + 1.000H2O = Fe(Cit)(OH)- - log_k 10.330 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.033E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 1.000Cit-3 = Fe(Cit)- - log_k 6.100 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.1E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 - 2.000H+ + 2.000Cit-3 + 2.000H2O = Fe(Cit)2(OH)2-5 - log_k 3.440 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.44E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 2.000Cit-3 = Fe(Cit)2-3 - log_k 18.150 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.815E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 6.000Cn- = Fe(Cn)6-3 - log_k 43.600 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.36E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 6.000Cn- = Fe(Cn)6-4 - log_k 35.400 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.54E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 1.000Edta-4 = Fe(Edta)- - log_k 27.700 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.77E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 1.000Edta-4 = Fe(Edta)-2 - log_k 16.020 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.602E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 2.000H+ + 1.000Cit-3 = Fe(H2Cit)+ - log_k 24.700 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.47E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 2.000H+ + 1.000Cit-3 = Fe(H2Cit)+2 - log_k 30.400 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.04E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 1.000H2(PO4)- = Fe(H2PO4)+ - log_k 2.690 #USGS original - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.69E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 1.000H2(PO4)- = Fe(H2PO4)+2 - log_k 5.420 #USGS original - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.42E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 - 1.000H+ + 1.000H4(SiO4) = Fe(H3SiO4)+2 - log_k 0.360 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.6E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 1.000H+ + 1.000Cit-3 = Fe(HCit) - log_k 10.020 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.002E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 1.000H+ + 2.000Cit-3 = Fe(HCit)(Cit)-2 - log_k 19.300 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.93E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 1.000H+ + 1.000Cit-3 = Fe(HCit)+ - log_k 13.560 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.356E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 2.000H+ + 2.000Cit-3 = Fe(HCit)2- - log_k 24.920 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.492E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 1.000H+ + 1.000Edta-4 = Fe(HEdta) - log_k 29.200 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.92E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 1.000H+ + 1.000Edta-4 = Fe(HEdta)- - log_k 18.300 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.83E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 1.000H+ + 1.000Nta-3 = Fe(HNta) - log_k 12.300 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.23E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 1.000H+ + 1.000Ox-2 = Fe(HOx)+2 - log_k 9.300 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.3E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 - 1.000H+ + 1.000H2(PO4)- = Fe(HPO4) - log_k -3.610 #USGS original - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.61E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 - 1.000H+ + 1.000H2(PO4)- = Fe(HPO4)+ - log_k 1.630 #96BOU4 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.63E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 1.000HS- = Fe(HS)+ - log_k 4.340 #04CHI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.34E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 2.000HS- = Fe(HS)2 - log_k 6.450 #04CHI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.45E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 1.000H+ + 1.000SO4-2 = Fe(HSO4)+ - log_k 3.070 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.07E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 1.000H+ + 1.000SeO3-2 = Fe(HSeO3)+2 - log_k 12.350 #01SEB/POT2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.235E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 1.000NH3 = Fe(NH3)+2 - log_k 1.300 #82SCH - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.3E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 2.000NH3 = Fe(NH3)2+2 - log_k 2.100 #82SCH - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.1E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 4.000NH3 = Fe(NH3)4+2 - log_k 3.600 #82SCH - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.6E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 1.000NO3- = Fe(NO3)+2 - log_k 0.950 #HATCHES 8.0 1996 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.5E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 1.000Nta-3 = Fe(Nta) - log_k 18.600 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.86E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 1.000Nta-3 = Fe(Nta)- - log_k 10.600 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.06E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 2.000Nta-3 = Fe(Nta)2-3 - log_k 27.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.7E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 2.000Nta-3 = Fe(Nta)2-4 - log_k 13.500 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.35E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 - 1.000H+ + 1.000Cit-3 + 1.000H2O = Fe(OH)(Cit)-2 - log_k 1.500 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.5E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 - 1.000H+ + 1.000Edta-4 + 1.000H2O = Fe(OH)(Edta)-2 - log_k 20.840 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.084E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 - 1.000H+ + 1.000Edta-4 + 1.000H2O = Fe(OH)(Edta)-3 - log_k 6.400 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.4E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 - 1.000H+ + 1.000Nta-3 + 1.000H2O = Fe(OH)(Nta)- - log_k 14.600 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.46E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 - 1.000H+ + 1.000Nta-3 + 1.000H2O = Fe(OH)(Nta)-2 - log_k -0.120 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.2E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 - 1.000H+ + 1.000H2O = Fe(OH)+ - log_k -9.500 #76BAE/MES in 99CHI3 - delta_h 55.304 #kJ/mol - # Enthalpy of formation: -320.526 #kJ/mol - -analytic 1.88831E-1 0E+0 -2.88872E+3 0E+0 0E+0 - -1.000Fe+3 - 1.000H+ + 1.000H2O = Fe(OH)+2 - log_k -2.190 #76BAE/MES in 98CHI - delta_h 43.514 #kJ/mol - # Enthalpy of formation: -291.316 #kJ/mol - -analytic 5.43331E+0 0E+0 -2.27289E+3 0E+0 0E+0 - -1.000Fe+2 - 2.000H+ + 2.000H2O = Fe(OH)2 - log_k -20.600 #76BAE/MES in 99CHI3 - delta_h 119.662 #kJ/mol - # Enthalpy of formation: -541.998 #kJ/mol - -analytic 3.63852E-1 0E+0 -6.25037E+3 0E+0 0E+0 - -1.000Fe+3 - 2.000H+ + 1.000Cit-3 + 2.000H2O = Fe(OH)2(Cit)-2 - log_k 2.900 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.9E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 - 2.000H+ + 1.000Edta-4 + 2.000H2O = Fe(OH)2(Edta)-3 - log_k 10.060 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.006E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 - 2.000H+ + 1.000Edta-4 + 2.000H2O = Fe(OH)2(Edta)-4 - log_k -4.400 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.4E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 - 2.000H+ + 1.000Nta-3 + 2.000H2O = Fe(OH)2(Nta)-2 - log_k 6.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 - 2.000H+ + 2.000H2O = Fe(OH)2+ - log_k -5.670 #76BAE/MES in 98CHI - delta_h 71.546 #kJ/mol - # Enthalpy of formation: -549.114 #kJ/mol - -analytic 6.8643E+0 0E+0 -3.7371E+3 0E+0 0E+0 - -1.000Fe+3 - 3.000H+ + 3.000H2O = Fe(OH)3 - log_k -12.560 #91PEA/BER in 98CHI - delta_h 103.764 #kJ/mol - # Enthalpy of formation: -802.726 #kJ/mol - -analytic 5.61865E+0 0E+0 -5.41996E+3 0E+0 0E+0 - -1.000Fe+3 - 3.000H+ + 1.000Edta-4 + 3.000H2O = Fe(OH)3(Edta)-4 - log_k 8.300 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.3E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 - 3.000H+ + 3.000H2O = Fe(OH)3- - log_k -31.900 #76BAE/MES in 99CHI3 - delta_h 138.072 #kJ/mol - # Enthalpy of formation: -809.418 #kJ/mol - -analytic -7.71086E+0 0E+0 -7.21199E+3 0E+0 0E+0 - -1.000Fe+3 - 4.000H+ + 4.000H2O = Fe(OH)4- - log_k -21.600 #76BAE/MES in 98CHI - delta_h 133.471 #kJ/mol - # Enthalpy of formation: -1058.849 #kJ/mol - -analytic 1.78308E+0 0E+0 -6.97167E+3 0E+0 0E+0 - -1.000Fe+2 - 4.000H+ + 4.000H2O = Fe(OH)4-2 - log_k -46.000 #76BAE/MES in 99CHI3 - delta_h 158.797 #kJ/mol - # Enthalpy of formation: -1074.523 #kJ/mol - -analytic -1.818E+1 0E+0 -8.29453E+3 0E+0 0E+0 - -1.000Fe+2 + 1.000Ox-2 = Fe(Ox) - log_k 4.100 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.1E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 1.000Ox-2 = Fe(Ox)+ - log_k 9.530 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.53E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 2.000Ox-2 = Fe(Ox)2- - log_k 15.750 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.575E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 2.000Ox-2 = Fe(Ox)2-2 - log_k 6.200 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.2E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 3.000Ox-2 = Fe(Ox)3-3 - log_k 20.200 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.02E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 3.000Ox-2 = Fe(Ox)3-4 - log_k 5.220 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.22E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 1.000SO4-2 = Fe(SO4) - log_k 2.200 #91PEA/BER in 98CHI - delta_h 13.514 #kJ/mol - # Enthalpy of formation: -985.826 #kJ/mol - -analytic 4.56755E+0 0E+0 -7.05884E+2 0E+0 0E+0 - -1.000Fe+3 + 1.000SO4-2 = Fe(SO4)+ - log_k 4.100 #95BOU in 98CHI - delta_h 16.359 #kJ/mol - # Enthalpy of formation: -941.981 #kJ/mol - -analytic 6.96597E+0 0E+0 -8.54489E+2 0E+0 0E+0 - -1.000Fe+3 + 2.000SO4-2 = Fe(SO4)2- - log_k 5.400 #91PEA/BER in 98CHI - delta_h 19.248 #kJ/mol - # Enthalpy of formation: -1848.432 #kJ/mol - -analytic 8.7721E+0 0E+0 -1.00539E+3 0E+0 0E+0 - -1.000Fe+3 + 1.000SeO3-2 = Fe(SeO3)+ - log_k 11.150 #05OLI/NOL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.115E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 1.000SeO4-2 = Fe(SeO4) - log_k 2.710 #01SEB/POT2 - delta_h -12.601 #kJ/mol - # Enthalpy of formation: -706.101 #kJ/mol - -analytic 5.02403E-1 0E+0 6.58195E+2 0E+0 0E+0 - -2.000Fe+3 - 2.000H+ + 2.000Cit-3 + 2.000H2O = Fe2(Cit)2(OH)2-2 - log_k 45.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.5E+1 0E+0 0E+0 0E+0 0E+0 - -2.000Fe+3 - 2.000H+ + 2.000Edta-4 + 2.000H2O = Fe2(OH)2(Edta)2-4 - log_k 68.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.8E+1 0E+0 0E+0 0E+0 0E+0 - -2.000Fe+3 - 2.000H+ + 2.000H2O = Fe2(OH)2+4 - log_k -2.950 #91PEA/BER in 98CHI - delta_h 56.484 #kJ/mol - # Enthalpy of formation: -613.175 #kJ/mol - -analytic 6.94556E+0 0E+0 -2.95036E+3 0E+0 0E+0 - -3.000Fe+3 - 4.000H+ + 4.000H2O = Fe3(OH)4+5 - log_k -6.300 #76BAE/MES in 98CHI - delta_h 59.831 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.18193E+0 0E+0 -3.12519E+3 0E+0 0E+0 - -1.000Fe+3 + 1.000Br- = FeBr+2 - log_k 0.700 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 2.000Br- = FeBr2+ - log_k 0.900 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 - 1.000H+ + 1.000CO3-2 + 1.000H2O = FeCO3OH - log_k 10.760 #05GRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.076E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 - 1.000H+ + 1.000CO3-2 + 1.000H2O = FeCO3OH- - log_k -4.030 #98KIN in 99CHI3 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.03E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 1.000Cl- = FeCl+ - log_k 0.140 #91PEA/BER in 98CHI - delta_h -0.078 #kJ/mol - # Enthalpy of formation: -257.158 #kJ/mol - -analytic 1.26335E-1 0E+0 4.07422E+0 0E+0 0E+0 - -1.000Fe+3 + 1.000Cl- = FeCl+2 - log_k 1.400 #95BOU in 98CHI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.4E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 2.000Cl- = FeCl2 - log_k -0.520 #95CHI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.2E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 2.000Cl- = FeCl2+ - log_k 2.100 #95BOU in 98CHI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.1E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 3.000Cl- = FeCl3 - log_k 1.130 #90NOR/PLU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.13E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 3.000Cl- = FeCl3- - log_k 1.020 #95CHI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.02E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 4.000Cl- = FeCl4- - log_k -0.790 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -7.9E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 1.000CrO4-2 = FeCrO4+ - log_k 7.800 #96BAR/PAL - delta_h 19.100 #kJ/mol #96BAR/PAL - # Enthalpy of formation: -908.9 #kJ/mol - -analytic 1.11462E+1 0E+0 -9.97661E+2 0E+0 0E+0 - -1.000Fe+2 + 1.000F- = FeF+ - log_k 1.000 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 1.000F- = FeF+2 - log_k 6.130 #92PEA/BER in 98CHI - delta_h 11.297 #kJ/mol - # Enthalpy of formation: -373.053 #kJ/mol - -analytic 8.10915E+0 0E+0 -5.90083E+2 0E+0 0E+0 - -1.000Fe+3 + 2.000F- = FeF2+ - log_k 10.800 #92PEA/BER in 98CHI - delta_h 19.665 #kJ/mol - # Enthalpy of formation: -700.035 #kJ/mol - -analytic 1.42452E+1 0E+0 -1.02717E+3 0E+0 0E+0 - -1.000Fe+3 + 3.000F- = FeF3 - log_k 14.000 #92PEA/BER in 98CHI - delta_h 22.595 #kJ/mol - # Enthalpy of formation: -1032.455 #kJ/mol - -analytic 1.79585E+1 0E+0 -1.18022E+3 0E+0 0E+0 - -1.000Fe+3 + 2.000H+ + 1.000Pyrophos-4 = FeH2Pyrophos+ - log_k 26.000 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.6E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 1.000H+ + 1.000CO3-2 = FeHCO3+ - log_k 11.770 #95CHI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.177E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 1.000H+ + 1.000SO4-2 = FeHSO4+2 - log_k 4.470 #90NOR/PLU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.47E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 1.000I- = FeI+2 - log_k 2.100 #96BOU2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.1E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 1.000S2O3-2 = FeS2O3+ - log_k 3.900 #82SCH - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.9E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 1.000Scn- = FeScn+2 - log_k 3.100 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.1E+0 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000Adipate-2 = H(Adipate)- - log_k 5.450 #04MAR/SMI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.45E+0 0E+0 0E+0 0E+0 0E+0 - -- 2.000H+ + 1.000H3(AsO3) = H(AsO3)-2 - log_k -23.620 #79IVA/VOR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.362E+1 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000AsO4-3 = H(AsO4)-2 - log_k 11.600 - delta_h -18.200 #kJ/mol - # Enthalpy of formation: -906.34 #kJ/mol #09RAN/FUG - -analytic 8.4115E+0 0E+0 9.50651E+2 0E+0 0E+0 - -1.000H+ + 1.000Cit-3 = H(Cit)-2 - log_k 6.360 #05HUM/AND - delta_h 3.300 #kJ/mol - # Enthalpy of formation: -1516.62 #kJ/mol - -analytic 6.93813E+0 0E+0 -1.72371E+2 0E+0 0E+0 - -1.000H+ + 1.000Edta-4 = H(Edta)-3 - log_k 11.240 #05HUM/AND - delta_h -19.800 #kJ/mol - # Enthalpy of formation: -1724.6 #kJ/mol - -analytic 7.77119E+0 0E+0 1.03422E+3 0E+0 0E+0 - -1.000H+ + 1.000Malonate-2 = H(Malonate)- - log_k 5.710 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.71E+0 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000Nta-3 = H(Nta)-2 - log_k 10.280 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.028E+1 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000Ox-2 = H(Ox)- - log_k 4.250 #05HUM/AND - delta_h 7.300 #kJ/mol - # Enthalpy of formation: -823.36 #kJ/mol - -analytic 5.5289E+0 0E+0 -3.81305E+2 0E+0 0E+0 - -1.000H+ + 1.000Pyrophos-4 = H(Pyrophos)-3 - log_k 9.400 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.4E+0 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000S2O3-2 = H(S2O3)- - log_k 1.720 #04CHI - delta_h 8.253 #kJ/mol - # Enthalpy of formation: -644.033 #kJ/mol - -analytic 3.16586E+0 0E+0 -4.31084E+2 0E+0 0E+0 - -1.000H+ + 1.000SO3-2 = H(SO3)- - log_k 7.170 #85GOL/PAR - delta_h 3.668 #kJ/mol - # Enthalpy of formation: -627.392 #kJ/mol - -analytic 7.81261E+0 0E+0 -1.91593E+2 0E+0 0E+0 - -1.000H+ + 1.000SO4-2 = H(SO4)- - log_k 1.980 - delta_h 22.440 #kJ/mol - # Enthalpy of formation: -886.9 #kJ/mol - -analytic 5.91131E+0 0E+0 -1.17212E+3 0E+0 0E+0 - -1.000H+ + 1.000SeO3-2 = H(SeO3)- - log_k 8.360 #05OLI/NOL - delta_h -5.170 #kJ/mol - # Enthalpy of formation: -512.33 #kJ/mol #05OLI/NOL - -analytic 7.45426E+0 0E+0 2.70048E+2 0E+0 0E+0 - -1.000H+ + 1.000SeO4-2 = H(SeO4)- - log_k 1.750 #05OLI/NOL - delta_h 20.800 #kJ/mol #05OLI/NOL - # Enthalpy of formation: -582.7 #kJ/mol - -analytic 5.394E+0 0E+0 -1.08646E+3 0E+0 0E+0 - -1.000H+ + 1.000Suberate-2 = H(Suberate)- - log_k 5.400 #31GAN/ING - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.4E+0 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000Succinat-2 = H(Succinat)- - log_k 5.710 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.71E+0 0E+0 0E+0 0E+0 0E+0 - -2.000H+ + 1.000Adipate-2 = H2(Adipate) - log_k 9.890 #04MAR/SMI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.89E+0 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000H3(AsO3) = H2(AsO3)- - log_k -9.220 - delta_h 27.410 #kJ/mol - # Enthalpy of formation: -714.79 #kJ/mol #10RAN/FUG - -analytic -4.41798E+0 0E+0 -1.43172E+3 0E+0 0E+0 - -2.000H+ + 1.000AsO4-3 = H2(AsO4)- - log_k 18.370 - delta_h -21.420 #kJ/mol - # Enthalpy of formation: -909.56 #kJ/mol #09RAN/FUG - -analytic 1.46174E+1 0E+0 1.11884E+3 0E+0 0E+0 - -2.000H+ + 1.000Cit-3 = H2(Cit)- - log_k 11.140 #05HUM/AND - delta_h 0.900 #kJ/mol - # Enthalpy of formation: -1519.02 #kJ/mol - -analytic 1.12977E+1 0E+0 -4.70102E+1 0E+0 0E+0 - -2.000H+ + 1.000Edta-4 = H2(Edta)-2 - log_k 18.040 #05HUM/AND - delta_h -35.000 #kJ/mol - # Enthalpy of formation: -1739.8 #kJ/mol - -analytic 1.19083E+1 0E+0 1.82817E+3 0E+0 0E+0 - -2.000H+ + 1.000Malonate-2 = H2(Malonate) - log_k 8.670 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.67E+0 0E+0 0E+0 0E+0 0E+0 - -2.000H+ + 1.000Nta-3 = H2(Nta)- - log_k 13.200 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.32E+1 0E+0 0E+0 0E+0 0E+0 - -2.000H+ + 1.000Ox-2 = H2(Ox) - log_k 5.650 #05HUM/AND - delta_h 10.600 #kJ/mol #05HUM/AND - # Enthalpy of formation: -820.06 #kJ/mol - -analytic 7.50704E+0 0E+0 -5.53676E+2 0E+0 0E+0 - -2.000H+ + 1.000Pyrophos-4 = H2(Pyrophos)-2 - log_k 16.050 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.605E+1 0E+0 0E+0 0E+0 0E+0 - -2.000H+ + 1.000S2O3-2 = H2(S2O3) - log_k 2.320 #04CHI - delta_h 22.917 #kJ/mol - # Enthalpy of formation: -629.369 #kJ/mol - -analytic 6.33488E+0 0E+0 -1.19704E+3 0E+0 0E+0 - -2.000H+ + 1.000SO3-2 = H2(SO3) - log_k 9.030 #85GOL/PAR - delta_h 21.453 #kJ/mol - # Enthalpy of formation: -609.607 #kJ/mol - -analytic 1.27884E+1 0E+0 -1.12057E+3 0E+0 0E+0 - -2.000H+ + 1.000SeO3-2 = H2(SeO3) - log_k 11.000 #05OLI/NOL - delta_h 1.840 #kJ/mol - # Enthalpy of formation: -505.32 #kJ/mol #05OLI/NOL - -analytic 1.13224E+1 0E+0 -9.61098E+1 0E+0 0E+0 - -- 2.000H+ + 1.000H4(SiO4) = H2(SiO4)-2 - log_k -23.140 #92GRE/FUG - delta_h 75.000 #kJ/mol #92GRE/FUG - # Enthalpy of formation: -1386.194 #kJ/mol - -analytic -1.00006E+1 0E+0 -3.91752E+3 0E+0 0E+0 - -2.000H+ + 1.000Suberate-2 = H2(Suberate) - log_k 9.920 #31GAN/ING - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.92E+0 0E+0 0E+0 0E+0 0E+0 - -2.000H+ + 1.000Succinat-2 = H2(Succinat) - log_k 9.950 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.95E+0 0E+0 0E+0 0E+0 0E+0 - -2.000H+ + 1.000CrO4-2 = H2CrO4 - log_k 6.320 #76BAE/MES, 04CHI - delta_h 39.596 #kJ/mol - # Enthalpy of formation: -839.404 #kJ/mol - -analytic 1.32569E+1 0E+0 -2.06824E+3 0E+0 0E+0 - -2.000H+ + 1.000H2(PO4)- + 1.000CrO4-2 - 1.000H2O = H2CrPO7- - log_k 9.020 - delta_h -51.490 #kJ/mol - # Enthalpy of formation: -1947.26 #kJ/mol #76DEL/HAL - -analytic -6.47544E-4 0E+0 2.68951E+3 0E+0 0E+0 - -1.000H+ + 1.000HGlu- = H2Glu - log_k 3.900 #98ZUB/CAS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.9E+0 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000HIsa- = H2Isa - log_k 4.000 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4E+0 0E+0 0E+0 0E+0 0E+0 - -2.000H+ + 1.000MoO4-2 = H2MoO4 - log_k 8.150 #68SAS/SIL, 64AVE/ANA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.15E+0 0E+0 0E+0 0E+0 0E+0 - -2.000H+ + 1.000Phthalat-2 = H2Phthalat - log_k 8.320 #10RIC/SAB1 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.32E+0 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000HS- = H2S - log_k 6.990 - delta_h -22.300 #kJ/mol - # Enthalpy of formation: -38.6 #kJ/mol #89COX/WAG - -analytic 3.08321E+0 0E+0 1.16481E+3 0E+0 0E+0 - -2.000H+ + 1.000S2O4-2 = H2S2O4 - log_k 2.800 #04CHI - delta_h 20.207 #kJ/mol - # Enthalpy of formation: -733.293 #kJ/mol - -analytic 6.34011E+0 0E+0 -1.05548E+3 0E+0 0E+0 - -1.000H+ + 1.000HSe- = H2Se - log_k 3.850 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: 14.3 #kJ/mol #05OLI/NOL - -analytic 3.85E+0 0E+0 0E+0 0E+0 0E+0 - -3.000H+ + 1.000AsO4-3 = H3(AsO4) - log_k 20.630 - delta_h -14.360 #kJ/mol - # Enthalpy of formation: -902.5 #kJ/mol #09RAN/FUG - -analytic 1.81142E+1 0E+0 7.50074E+2 0E+0 0E+0 - -3.000H+ + 1.000Cit-3 = H3(Cit) - log_k 14.270 #05HUM/AND - delta_h -3.600 #kJ/mol - # Enthalpy of formation: -1523.52 #kJ/mol - -analytic 1.36393E+1 0E+0 1.88041E+2 0E+0 0E+0 - -3.000H+ + 1.000Edta-4 = H3(Edta)- - log_k 21.190 #05HUM/AND - delta_h -27.900 #kJ/mol - # Enthalpy of formation: -1732.7 #kJ/mol - -analytic 1.63021E+1 0E+0 1.45732E+3 0E+0 0E+0 - -3.000H+ + 1.000Nta-3 = H3(Nta) - log_k 15.330 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.533E+1 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000H2(PO4)- = H3(PO4) - log_k 2.140 #92GRE/FUG - delta_h 8.480 #kJ/mol #92GRE/FUG - # Enthalpy of formation: -1294.12 #kJ/mol - -analytic 3.62563E+0 0E+0 -4.42941E+2 0E+0 0E+0 - -3.000H+ + 1.000Pyrophos-4 = H3(Pyrophos)- - log_k 18.300 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.83E+1 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000H4(SiO4) = H3(SiO4)- - log_k -9.840 #06BLA/PIA - delta_h 29.363 #kJ/mol - # Enthalpy of formation: -1431.831 #kJ/mol - -analytic -4.69583E+0 0E+0 -1.53373E+3 0E+0 0E+0 - -4.000H+ + 1.000Edta-4 = H4(Edta) - log_k 23.420 #05HUM/AND - delta_h -26.000 #kJ/mol - # Enthalpy of formation: -1730.8 #kJ/mol - -analytic 1.8865E+1 0E+0 1.35807E+3 0E+0 0E+0 - -4.000H+ + 1.000Nta-3 = H4(Nta)+ - log_k 16.130 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.613E+1 0E+0 0E+0 0E+0 0E+0 - -4.000H+ + 1.000Pyrophos-4 = H4(Pyrophos) - log_k 19.300 #92GRE/FUG - delta_h 6.684 #kJ/mol - # Enthalpy of formation: -2280.21 #kJ/mol #92GRE/FUG - -analytic 2.0471E+1 0E+0 -3.49129E+2 0E+0 0E+0 - -5.000H+ + 1.000Edta-4 = H5(Edta)+ - log_k 24.720 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.472E+1 0E+0 0E+0 0E+0 0E+0 - -6.000H+ + 1.000Edta-4 = H6(Edta)+2 - log_k 24.220 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.422E+1 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000Acetate- = HAcetate - log_k 4.760 - delta_h 0.250 #kJ/mol - # Enthalpy of formation: -485.76 #kJ/mol #82WAG/EVA - -analytic 4.8038E+0 0E+0 -1.30584E+1 0E+0 0E+0 - -1.000H+ + 2.000B(OH)4- - 4.000H2O = HB2O4- - log_k 9.170 #97CRO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.17E+0 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000CO3-2 = HCO3- - log_k 10.330 - delta_h -14.700 #kJ/mol - # Enthalpy of formation: -689.93 #kJ/mol #89COX/WAG - -analytic 7.75467E+0 0E+0 7.67833E+2 0E+0 0E+0 - -1.000H+ + 1.000Cl- = HCl - log_k -0.710 #97TAG/ZOT - delta_h -12.298 #kJ/mol - # Enthalpy of formation: -179.378 #kJ/mol - -analytic -2.86451E+0 0E+0 6.42368E+2 0E+0 0E+0 - -1.000H+ + 1.000CrO4-2 = HCrO4- - log_k 6.520 #87PAL/WES, 04CHI - delta_h 6.016 #kJ/mol - # Enthalpy of formation: -872.984 #kJ/mol - -analytic 7.57396E+0 0E+0 -3.14237E+2 0E+0 0E+0 - -1.000H+ + 1.000H2(PO4)- + 1.000CrO4-2 - 1.000H2O = HCrPO7-2 - log_k 6.370 - delta_h -36.390 #kJ/mol - # Enthalpy of formation: -1932.16 #kJ/mol #76DEL/HEP - -analytic -5.24498E-3 0E+0 1.90078E+3 0E+0 0E+0 - -1.000H+ + 1.000MoO4-2 = HMoO4- - log_k 4.110 #68SAS/SIL, 64AVE/ANA - delta_h 58.576 #kJ/mol #68ARN/SZI in 76BAE/MES - # Enthalpy of formation: -938.424 #kJ/mol - -analytic 1.43721E+1 0E+0 -3.05963E+3 0E+0 0E+0 - -- 1.000H+ + 1.000H2(PO4)- = HPO4-2 - log_k -7.210 - delta_h 3.600 #kJ/mol - # Enthalpy of formation: -1299 #kJ/mol #89COX/WAG - -analytic -6.57931E+0 0E+0 -1.88041E+2 0E+0 0E+0 - -1.000H+ + 1.000Phthalat-2 = HPhthalat- - log_k 5.340 #10RIC/SAB1 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.34E+0 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000S2O4-2 = HS2O4- - log_k 2.500 #04CHI - delta_h 3.834 #kJ/mol - # Enthalpy of formation: -749.666 #kJ/mol - -analytic 3.17169E+0 0E+0 -2.00263E+2 0E+0 0E+0 - -1.000H+ + 1.000SO4-2 + 0.500O2 = HSO5- - log_k -17.220 - delta_h 139.777 #kJ/mol - # Enthalpy of formation: -775.63 #kJ/mol #88SHO/HEL - -analytic 7.26784E+0 0E+0 -7.30105E+3 0E+0 0E+0 - -4.000CO3-2 + 1.000Hf+4 = Hf(CO3)4-4 - log_k 42.900 #analogy with Zr - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.29E+1 0E+0 0E+0 0E+0 0E+0 - -2.000NO3- + 1.000Hf+4 = Hf(NO3)2+2 - log_k 2.490 #65DES/KHO recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.49E+0 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000Hf+4 + 1.000H2O = Hf(OH)+3 - log_k -0.200 #01RAI/XIA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2E-1 0E+0 0E+0 0E+0 0E+0 - -- 4.000H+ + 1.000Hf+4 + 4.000H2O = Hf(OH)4 - log_k -11.200 #01RAI/XIA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.12E+1 0E+0 0E+0 0E+0 0E+0 - -- 5.000H+ + 1.000Hf+4 + 5.000H2O = Hf(OH)5- - log_k -20.300 #01RAI/XIA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.03E+1 0E+0 0E+0 0E+0 0E+0 - -- 6.000H+ + 1.000Hf+4 + 6.000H2O = Hf(OH)6-2 - log_k -32.800 #01RAI/XIA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.28E+1 0E+0 0E+0 0E+0 0E+0 - -2.000SO4-2 + 1.000Hf+4 = Hf(SO4)2 - log_k 10.110 #65DES/KHO recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.011E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Br- + 1.000Hf+4 = HfBr+3 - log_k 0.380 #67HAL/POH recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.8E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Cl- + 1.000Hf+4 = HfCl+3 - log_k 2.200 #65DES/KHO and others recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.2E+0 0E+0 0E+0 0E+0 0E+0 - -2.000Cl- + 1.000Hf+4 = HfCl2+2 - log_k 2.050 #65DES/KHO and others recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.05E+0 0E+0 0E+0 0E+0 0E+0 - -1.000F- + 1.000Hf+4 = HfF+3 - log_k 9.290 #05SAW/THA and others recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.29E+0 0E+0 0E+0 0E+0 0E+0 - -2.000F- + 1.000Hf+4 = HfF2+2 - log_k 17.850 #05SAW/THA and others recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.785E+1 0E+0 0E+0 0E+0 0E+0 - -3.000F- + 1.000Hf+4 = HfF3+ - log_k 25.080 #05SAW/THA and others recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.508E+1 0E+0 0E+0 0E+0 0E+0 - -4.000F- + 1.000Hf+4 = HfF4 - log_k 31.410 #05SAW/THA and others recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.141E+1 0E+0 0E+0 0E+0 0E+0 - -1.000I- + 1.000Hf+4 = HfI+3 - log_k 0.020 #67HAL/POH recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2E-2 0E+0 0E+0 0E+0 0E+0 - -1.000NO3- + 1.000Hf+4 = HfNO3+3 - log_k 1.850 #65DES/KHO 69HAL/SMO recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.85E+0 0E+0 0E+0 0E+0 0E+0 - -1.000SO4-2 + 1.000Hf+4 = HfSO4+2 - log_k 6.060 #65DES/KHO recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.06E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Hg+2 + 2.000H+ + 2.000Cn- + 2.000HSe- - 2.000H2O + 1.000O2 = Hg(SeCn)2 - log_k 134.330 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.3433E+2 0E+0 0E+0 0E+0 0E+0 - -1.000Hg+2 + 3.000H+ + 3.000Cn- + 3.000HSe- - 3.000H2O + 1.500O2 = Hg(SeCn)3- - log_k 194.850 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.9485E+2 0E+0 0E+0 0E+0 0E+0 - -1.000Hg+2 + 4.000H+ + 4.000Cn- + 4.000HSe- - 4.000H2O + 2.000O2 = Hg(SeCn)4-2 - log_k 253.370 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.5337E+2 0E+0 0E+0 0E+0 0E+0 - -1.000Hg+2 + 2.000SeO3-2 = Hg(SeO3)2-2 - log_k 14.850 #05OLI/NOL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.485E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Hg+2 - 1.000H+ + 1.000HSe- = HgSe - log_k 37.590 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.759E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Hg+2 - 2.000H+ + 2.000HSe- = HgSe2-2 - log_k 32.630 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.263E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ho+3 + 1.000CO3-2 = Ho(CO3)+ - log_k 8.000 #95SPA/BRU - delta_h 168.562 #kJ/mol - # Enthalpy of formation: -1213.71 #kJ/mol - -analytic 3.75308E+1 0E+0 -8.80459E+3 0E+0 0E+0 - -1.000Ho+3 + 2.000CO3-2 = Ho(CO3)2- - log_k 13.300 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.33E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ho+3 + 3.000CO3-2 = Ho(CO3)3-3 - log_k 14.800 #05VER/VIT2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.48E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ho+3 + 1.000H2(PO4)- = Ho(H2PO4)+2 - log_k 2.300 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.3E+0 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000Ho+3 + 1.000CO3-2 = Ho(HCO3)+2 - log_k 12.500 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.25E+1 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000Ho+3 + 1.000H2(PO4)- = Ho(HPO4)+ - log_k -1.410 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.41E+0 0E+0 0E+0 0E+0 0E+0 - -- 2.000H+ + 1.000Ho+3 + 2.000H2(PO4)- = Ho(HPO4)2- - log_k -4.520 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.52E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ho+3 + 1.000NO3- = Ho(NO3)+2 - log_k 0.500 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5E-1 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000Ho+3 + 1.000H2O = Ho(OH)+2 - log_k -7.900 #95SPA/BRU - delta_h 79.900 #kJ/mol - # Enthalpy of formation: -912.972 #kJ/mol - -analytic 6.09786E+0 0E+0 -4.17346E+3 0E+0 0E+0 - -- 2.000H+ + 1.000Ho+3 + 2.000H2O = Ho(OH)2+ - log_k -15.700 #07NEC/ALT2 - delta_h 143.846 #kJ/mol - # Enthalpy of formation: -1134.856 #kJ/mol - -analytic 9.5007E+0 0E+0 -7.51359E+3 0E+0 0E+0 - -- 3.000H+ + 1.000Ho+3 + 3.000H2O = Ho(OH)3 - log_k -26.200 #07NEC/ALT2 - delta_h 226.067 #kJ/mol - # Enthalpy of formation: -1338.465 #kJ/mol - -analytic 1.34052E+1 0E+0 -1.18083E+4 0E+0 0E+0 - -- 4.000H+ + 1.000Ho+3 + 4.000H2O = Ho(OH)4- - log_k -40.700 #07NEC/ALT2 - delta_h 295.822 #kJ/mol - # Enthalpy of formation: -1554.54 #kJ/mol - -analytic 1.11257E+1 0E+0 -1.54518E+4 0E+0 0E+0 - -- 2.000H+ + 1.000Ho+3 + 1.000H2(PO4)- = Ho(PO4) - log_k -6.960 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.96E+0 0E+0 0E+0 0E+0 0E+0 - -- 4.000H+ + 1.000Ho+3 + 2.000H2(PO4)- = Ho(PO4)2-3 - log_k -17.820 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.782E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ho+3 + 1.000SO4-2 = Ho(SO4)+ - log_k 3.400 #95SPA/BRU - delta_h 15.387 #kJ/mol - # Enthalpy of formation: -1600.995 #kJ/mol - -analytic 6.09568E+0 0E+0 -8.03718E+2 0E+0 0E+0 - -1.000Ho+3 + 2.000SO4-2 = Ho(SO4)2- - log_k 4.900 #95SPA/BRU - delta_h 23.670 #kJ/mol - # Enthalpy of formation: -2502.052 #kJ/mol - -analytic 9.0468E+0 0E+0 -1.23637E+3 0E+0 0E+0 - -1.000Ho+3 + 1.000Cl- = HoCl+2 - log_k 0.740 #Original data from 01LUO/BYR and 04LUO/BYR - delta_h 22.013 #kJ/mol - # Enthalpy of formation: -852.109 #kJ/mol - -analytic 4.59651E+0 0E+0 -1.14982E+3 0E+0 0E+0 - -1.000Ho+3 + 2.000Cl- = HoCl2+ - log_k -0.290 #81TUR/WHI - delta_h 36.300 #kJ/mol - # Enthalpy of formation: -1004.902 #kJ/mol - -analytic 6.06948E+0 0E+0 -1.89608E+3 0E+0 0E+0 - -1.000Ho+3 + 1.000F- = HoF+2 - log_k 4.330 #07LUO/BYR - delta_h 25.761 #kJ/mol - # Enthalpy of formation: -1016.631 #kJ/mol - -analytic 8.84313E+0 0E+0 -1.34559E+3 0E+0 0E+0 - -1.000Ho+3 + 2.000F- = HoF2+ - log_k 6.520 #Original data from 99SCH/BYR and 04LUO/BYR - delta_h 21.110 #kJ/mol #04LUO/MIL - # Enthalpy of formation: -1356.632 #kJ/mol - -analytic 1.02183E+1 0E+0 -1.10265E+3 0E+0 0E+0 - -- 1.000H+ + 1.000Ho+3 + 1.000H4(SiO4) = HoSiO(OH)3+2 - log_k -2.620 #Original data from 07THA/SIN and 96JEN/CHO1 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.62E+0 0E+0 0E+0 0E+0 0E+0 - -3.000I- - 1.000H2O + 2.000H+ + 0.500O2 = I3- - log_k 24.820 - delta_h -160.886 #kJ/mol - # Enthalpy of formation: -51.463 #kJ/mol - -analytic -3.36598E+0 0E+0 8.40365E+3 0E+0 0E+0 - -2.000Cl- + 1.000I- - 1.000H2O + 2.000H+ + 0.500O2 = ICl2- - log_k 16.190 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.619E+1 0E+0 0E+0 0E+0 0E+0 - -1.000I- + 0.500O2 = IO- - log_k -1.010 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.01E+0 0E+0 0E+0 0E+0 0E+0 - -1.000I- + 2.000O2 = IO4- - log_k 6.980 - delta_h -70.413 #kJ/mol - # Enthalpy of formation: -151.461 #kJ/mol - -analytic -5.35581E+0 0E+0 3.67792E+3 0E+0 0E+0 - -1.000K+ + 1.000Edta-4 = K(Edta)-3 - log_k 1.800 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.8E+0 0E+0 0E+0 0E+0 0E+0 - -1.000K+ + 1.000H+ + 1.000Nta-3 = K(HNta)- - log_k 10.300 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.03E+1 0E+0 0E+0 0E+0 0E+0 - -1.000K+ - 1.000H+ + 1.000H2(PO4)- = K(HPO4)- - log_k -6.400 #97MAR/SMI - delta_h 31.589 #kJ/mol #97MAR/SMI - # Enthalpy of formation: -1523.151 #kJ/mol - -analytic -8.65853E-1 0E+0 -1.65001E+3 0E+0 0E+0 - -1.000K+ + 1.000IO3- = K(IO3) - log_k 0.020 #estimation NEA87 08/2/95 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2E-2 0E+0 0E+0 0E+0 0E+0 - -1.000K+ + 1.000Nta-3 = K(Nta)-2 - log_k 1.300 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.3E+0 0E+0 0E+0 0E+0 0E+0 - -1.000K+ + 1.000Pyrophos-4 = K(Pyrophos)-3 - log_k 2.100 #76MAR/SMI - delta_h 7.113 #kJ/mol #76MAR/SMI - # Enthalpy of formation: -2531.921 #kJ/mol - -analytic 3.34614E+0 0E+0 -3.71537E+2 0E+0 0E+0 - -1.000K+ + 1.000Al+3 - 4.000H+ + 4.000H2O = KAl(OH)4 - log_k -24.220 - delta_h 211.675 #kJ/mol - # Enthalpy of formation: -1722.185 #kJ/mol #97POK/HEL2 - -analytic 1.28638E+1 0E+0 -1.10565E+4 0E+0 0E+0 - -1.000K+ + 1.000H2(PO4)- = KH2PO4 - log_k 0.440 #97MAR/SMI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.4E-1 0E+0 0E+0 0E+0 0E+0 - -1.000K+ + 1.000I- = KI - log_k -1.570 #estimation NEA87 08/2/95 - delta_h 9.011 #kJ/mol - # Enthalpy of formation: -299.909 #kJ/mol - -analytic 8.65712E-3 0E+0 -4.70677E+2 0E+0 0E+0 - -1.000K+ - 2.000H+ + 1.000H2(PO4)- = KPO4-2 - log_k -18.260 #97MAR/SMI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.826E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 + 1.000CO3-2 = Mg(CO3) - log_k 2.980 #97SVE/SHO - delta_h 8.804 #kJ/mol - # Enthalpy of formation: -1133.426 #kJ/mol - -analytic 4.52239E+0 0E+0 -4.59864E+2 0E+0 0E+0 - -1.000Mg+2 + 1.000Cit-3 = Mg(Cit)- - log_k 4.810 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.81E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 + 1.000Edta-4 = Mg(Edta)-2 - log_k 10.900 #05HUM/AND - delta_h 19.800 #kJ/mol - # Enthalpy of formation: -2152 #kJ/mol - -analytic 1.43688E+1 0E+0 -1.03422E+3 0E+0 0E+0 - -1.000Mg+2 + 2.000H+ + 1.000Cit-3 = Mg(H2Cit)+ - log_k 12.450 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.245E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 + 1.000H2(PO4)- = Mg(H2PO4)+ - log_k 1.170 #81TUR/WHI - delta_h 13.514 #kJ/mol #96BOU1 - # Enthalpy of formation: -1756.086 #kJ/mol - -analytic 3.53755E+0 0E+0 -7.05884E+2 0E+0 0E+0 - -1.000Mg+2 - 1.000H+ + 1.000H4(SiO4) = Mg(H3SiO4)+ - log_k -8.580 #97SVE/SHO - delta_h 27.114 #kJ/mol - # Enthalpy of formation: -1901.08 #kJ/mol - -analytic -3.82984E+0 0E+0 -1.41626E+3 0E+0 0E+0 - -1.000Mg+2 + 1.000H+ + 1.000CO3-2 = Mg(HCO3)+ - log_k 11.370 #95SHO/KOR - delta_h -12.859 #kJ/mol - # Enthalpy of formation: -1155.089 #kJ/mol - -analytic 9.1172E+0 0E+0 6.71671E+2 0E+0 0E+0 - -1.000Mg+2 + 1.000H+ + 1.000Cit-3 = Mg(HCit) - log_k 8.960 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.96E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 + 1.000H+ + 1.000Edta-4 = Mg(HEdta)- - log_k 15.400 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.54E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 + 1.000H+ + 1.000Malonate-2 = Mg(HMalonate)+ - log_k 7.050 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7.05E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 - 1.000H+ + 1.000H2(PO4)- = Mg(HPO4) - log_k -4.300 #76SMI/MAR - delta_h 16.152 #kJ/mol #76SMI/MAR - # Enthalpy of formation: -1753.448 #kJ/mol - -analytic -1.4703E+0 0E+0 -8.43676E+2 0E+0 0E+0 - -1.000Mg+2 + 1.000H+ + 1.000Succinat-2 = Mg(HSuccinat)+ - log_k 6.720 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.72E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 + 1.000IO3- = Mg(IO3)+ - log_k 0.700 #estimation NEA87 08/2/95 ; - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 + 1.000Malonate-2 = Mg(Malonate) - log_k 2.860 #76KLA/OST - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.86E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 + 1.000NH3 = Mg(NH3)+2 - log_k 0.100 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: -548.148 #kJ/mol - -analytic 1E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 + 3.000NH3 = Mg(NH3)3+2 - log_k -0.300 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: -710.444 #kJ/mol - -analytic -3E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 + 4.000NH3 = Mg(NH3)4+2 - log_k -1.000 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: -791.592 #kJ/mol - -analytic -1E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 + 1.000Nta-3 = Mg(Nta)- - log_k 6.790 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.79E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 - 1.000H+ + 1.000H2O = Mg(OH)+ - log_k -11.680 #97SHO/SAS2 - delta_h 62.835 #kJ/mol - # Enthalpy of formation: -689.995 #kJ/mol - -analytic -6.71797E-1 0E+0 -3.2821E+3 0E+0 0E+0 - -1.000Mg+2 + 1.000Ox-2 = Mg(Ox) - log_k 3.560 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.56E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 + 2.000Ox-2 = Mg(Ox)2-2 - log_k 5.170 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.17E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 - 2.000H+ + 1.000H2(PO4)- = Mg(PO4)- - log_k -14.710 #81TUR/WHI - delta_h 31.170 #kJ/mol #96BOU1 - # Enthalpy of formation: -1738.43 #kJ/mol - -analytic -9.24926E+0 0E+0 -1.62812E+3 0E+0 0E+0 - -1.000Mg+2 + 1.000Pyrophos-4 = Mg(Pyrophos)-2 - log_k 7.200 #76SMI/MAR - delta_h 12.542 #kJ/mol - # Enthalpy of formation: -2741.352 #kJ/mol - -analytic 9.39726E+0 0E+0 -6.55113E+2 0E+0 0E+0 - -1.000Mg+2 + 1.000S2O3-2 = Mg(S2O3) - log_k 1.820 #76SMI/MAR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.82E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 + 1.000SO4-2 = Mg(SO4) - log_k 2.230 #76SMI/MAR - delta_h 5.858 #kJ/mol #76SMI/MAR - # Enthalpy of formation: -1370.482 #kJ/mol - -analytic 3.25628E+0 0E+0 -3.05984E+2 0E+0 0E+0 - -1.000Mg+2 + 1.000SeO4-2 = Mg(SeO4) - log_k 2.200 #05OLI/NOL - delta_h -6.614 #kJ/mol - # Enthalpy of formation: -1077.114 #kJ/mol - -analytic 1.04128E+0 0E+0 3.45473E+2 0E+0 0E+0 - -1.000Mg+2 + 1.000Succinat-2 = Mg(Succinat) - log_k 2.270 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.27E+0 0E+0 0E+0 0E+0 0E+0 - -4.000Mg+2 - 4.000H+ + 4.000H2O = Mg4(OH)4+4 - log_k -39.750 #76BAE/MES - delta_h 229.186 #kJ/mol - # Enthalpy of formation: -2782.134 #kJ/mol - -analytic 4.01605E-1 0E+0 -1.19712E+4 0E+0 0E+0 - -1.000Mg+2 + 1.000B(OH)4- = MgB(OH)4+ - log_k 1.600 #97CRO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.6E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 + 1.000Br- = MgBr+ - log_k -0.140 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.4E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 + 1.000Cl- = MgCl+ - log_k 0.350 #96BOU1 - delta_h -1.729 #kJ/mol - # Enthalpy of formation: -635.809 #kJ/mol - -analytic 4.70926E-2 0E+0 9.03118E+1 0E+0 0E+0 - -1.000Mg+2 + 1.000F- = MgF+ - log_k 1.800 #ANDRA, CRP OHEM 95.002, X. BOURBON, janvier1996; Sélection de données thermodynamiques afférentes aux corrections de Température sur les principaux équilibres chimiques en milieu naturel - delta_h 13.389 #kJ/mol - # Enthalpy of formation: -788.961 #kJ/mol - -analytic 4.14565E+0 0E+0 -6.99355E+2 0E+0 0E+0 - -1.000Mg+2 + 1.000I- = MgI+ - log_k 0.180 #estimation NEA87 08/2/95 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.8E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 + 2.000I- = MgI2 - log_k 0.030 #estimation NEA87 08/2/95 ; - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3E-2 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 1.000CO3-2 = Mn(CO3) - log_k 6.500 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.5E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 1.000H+ + 1.000CO3-2 = Mn(HCO3)+ - log_k 11.610 #95CHI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.161E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 - 1.000H+ + 1.000H2(PO4)- = Mn(HPO4) - log_k -3.260 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.26E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 - 2.000H+ + 2.000H2(PO4)- = Mn(HPO4)2-2 - log_k -9.120 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -9.12E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 1.000IO3- = Mn(IO3)+ - log_k 0.840 #estimation NEA87 08/2/95 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.4E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 2.000IO3- = Mn(IO3)2 - log_k 0.130 #estimation NEA87 08/2/95 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.3E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 1.000NH3 = Mn(NH3)+2 - log_k 0.700 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 2.000NH3 = Mn(NH3)2+2 - log_k 1.200 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.2E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 1.000NO3- = Mn(NO3)+ - log_k 0.160 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.6E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 2.000NO3- = Mn(NO3)2 - log_k 0.500 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 - 1.000H+ + 1.000H2O = Mn(OH)+ - log_k -10.590 #95CHI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.059E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 - 2.000H+ + 2.000H2O = Mn(OH)2 - log_k -22.200 #95CHI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.22E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 - 3.000H+ + 3.000H2O = Mn(OH)3- - log_k -34.800 #95CHI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.48E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 - 4.000H+ + 4.000H2O = Mn(OH)4-2 - log_k -48.300 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/91PEA/BER 11891 EN ; Nagra TR 91-18 (mai 1992, Hatches 3.0) (provient de la base 0391 MINEQL- PSY) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.83E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 1.000Pyrophos-4 = Mn(Pyrophos)-2 - log_k 6.000 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 1.000S2O3-2 = Mn(S2O3) - log_k 1.900 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.9E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 1.000SO4-2 = Mn(SO4) - log_k 2.250 #95CHI - delta_h 14.100 #kJ/mol - # Enthalpy of formation: -1115.99 #kJ/mol - -analytic 4.72021E+0 0E+0 -7.36493E+2 0E+0 0E+0 - -1.000Mn+2 + 1.000Scn- = Mn(Scn)+ - log_k 1.400 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.4E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 1.000SeO4-2 = Mn(SeO4) - log_k 2.430 #05OLI/NOL - delta_h -1.282 #kJ/mol - # Enthalpy of formation: -825.582 #kJ/mol - -analytic 2.2054E+0 0E+0 6.69634E+1 0E+0 0E+0 - -1.000Mn+2 - 0.500H2O + 1.000H+ + 0.250O2 = Mn+3 - log_k -4.015 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.015E+0 0E+0 0E+0 0E+0 0E+0 - -2.000Mn+2 - 1.000H+ + 1.000H2O = Mn2(OH)+3 - log_k -10.100 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.01E+1 0E+0 0E+0 0E+0 0E+0 - -2.000Mn+2 - 3.000H+ + 3.000H2O = Mn2(OH)3+ - log_k -24.900 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.49E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 1.000Br- = MnBr+ - log_k 0.130 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.3E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 1.000Cl- = MnCl+ - log_k 0.300 - delta_h 18.466 #kJ/mol - # Enthalpy of formation: -369.364 #kJ/mol - -analytic 3.5351E+0 0E+0 -9.64545E+2 0E+0 0E+0 - -1.000Mn+2 + 2.000Cl- = MnCl2 - log_k 0.250 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.5E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 3.000Cl- = MnCl3- - log_k -0.310 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.1E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 1.000F- = MnF+ - log_k 0.850 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.5E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 2.000F- = MnF2 - log_k 9.040 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.04E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 3.000F- = MnF3- - log_k 11.640 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.164E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 4.000F- = MnF4-2 - log_k 13.400 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.34E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 5.000F- = MnF5-3 - log_k 14.700 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.47E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 6.000F- = MnF6-4 - log_k 15.500 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.55E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 1.000I- = MnI+ - log_k 0.230 #estimation NEA87 08/2/95 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.3E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 - 3.000H+ + 1.500H2O + 1.250O2 = MnO4- - log_k -20.305 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 - delta_h 123.253 #kJ/mol - # Enthalpy of formation: -541.41 #kJ/mol - -analytic 1.28788E+0 0E+0 -6.43792E+3 0E+0 0E+0 - -1.000Mn+2 - 4.000H+ + 2.000H2O + 1.000O2 = MnO4-2 - log_k -32.420 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 - delta_h 151.840 #kJ/mol - # Enthalpy of formation: -652.704 #kJ/mol - -analytic -5.81881E+0 0E+0 -7.93114E+3 0E+0 0E+0 - -1.000Mn+2 - 5.000H+ + 2.500H2O + 0.750O2 = MnO4-3 - log_k -48.515 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.8515E+1 0E+0 0E+0 0E+0 0E+0 - -5.000H+ + 1.000MoO4-2 - 2.500H2O - 0.750O2 = Mo+3 - log_k -42.725 #68SAS/SIL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.2725E+1 0E+0 0E+0 0E+0 0E+0 - -34.000H+ + 19.000MoO4-2 - 17.000H2O = Mo19O59-4 - log_k 196.300 #68SAS/SIL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.963E+2 0E+0 0E+0 0E+0 0E+0 - -5.000H+ + 2.000MoO4-2 - 2.000H2O = Mo2O5(OH)+ - log_k 19.000 #68SAS/SIL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.9E+1 0E+0 0E+0 0E+0 0E+0 - -11.000H+ + 7.000MoO4-2 - 4.000H2O = Mo7O21(OH)3-3 - log_k 66.480 #68SAS/SIL, 64AVE/ANA - delta_h -222.589 #kJ/mol #68ARN/SZI in 76BAE/MES - # Enthalpy of formation: -6058.269 #kJ/mol - -analytic 2.74841E+1 0E+0 1.16266E+4 0E+0 0E+0 - -10.000H+ + 7.000MoO4-2 - 4.000H2O = Mo7O22(OH)2-4 - log_k 62.710 #68SAS/SIL, 64AVE/ANA - delta_h -220.079 #kJ/mol #68ARN/SZI in 76BAE/MES - # Enthalpy of formation: -6055.759 #kJ/mol - -analytic 2.41539E+1 0E+0 1.14955E+4 0E+0 0E+0 - -9.000H+ + 7.000MoO4-2 - 4.000H2O = Mo7O23(OH)-5 - log_k 57.210 #68SAS/SIL, 64AVE/ANA - delta_h -223.426 #kJ/mol #68ARN/SZI in 76BAE/MES - # Enthalpy of formation: -6059.106 #kJ/mol - -analytic 1.80675E+1 0E+0 1.16703E+4 0E+0 0E+0 - -8.000H+ + 7.000MoO4-2 - 4.000H2O = Mo7O24-6 - log_k 50.350 #68SAS/SIL, 64AVE/ANA - delta_h -234.304 #kJ/mol #68ARN/SZI in 76BAE/MES - # Enthalpy of formation: -6069.984 #kJ/mol - -analytic 9.30176E+0 0E+0 1.22385E+4 0E+0 0E+0 - -1.000H+ + 1.000NH3 = NH4+ - log_k 9.230 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: -133.26 #kJ/mol #92GRE/FUG - -analytic 9.23E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Na+ + 1.000CO3-2 = Na(CO3)- - log_k 1.270 #90NOR/PLU - delta_h 37.279 #kJ/mol #90NOR/PLU - # Enthalpy of formation: -878.291 #kJ/mol - -analytic 7.80099E+0 0E+0 -1.94721E+3 0E+0 0E+0 - -1.000Na+ + 1.000Edta-4 = Na(Edta)-3 - log_k 2.800 #05HUM/AND - delta_h -4.000 #kJ/mol - # Enthalpy of formation: -1949.14 #kJ/mol - -analytic 2.09923E+0 0E+0 2.08934E+2 0E+0 0E+0 - -1.000Na+ + 1.000H+ + 1.000CO3-2 = Na(HCO3) - log_k 10.080 #90NOR/PLU - delta_h -26.127 #kJ/mol - # Enthalpy of formation: -941.697 #kJ/mol - -analytic 5.50275E+0 0E+0 1.36471E+3 0E+0 0E+0 - -1.000Na+ + 1.000H+ + 1.000Nta-3 = Na(HNta)- - log_k 10.320 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.032E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Na+ - 1.000H+ + 1.000H2(PO4)- = Na(HPO4)- - log_k -6.340 #97MAR/SMI - delta_h 34.936 #kJ/mol #97MAR/SMI - # Enthalpy of formation: -1508.004 #kJ/mol - -analytic -2.19485E-1 0E+0 -1.82483E+3 0E+0 0E+0 - -1.000Na+ + 1.000IO3- = Na(IO3) - log_k 0.060 #estimation NEA87 08/2/95 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6E-2 0E+0 0E+0 0E+0 0E+0 - -1.000Na+ + 1.000Nta-3 = Na(Nta)-2 - log_k 1.880 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.88E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Na+ + 1.000S2O3-2 = Na(S2O3)- - log_k 0.610 - delta_h 4.656 #kJ/mol - # Enthalpy of formation: -887.97 #kJ/mol #82WAG/EVA - -analytic 1.42569E+0 0E+0 -2.43199E+2 0E+0 0E+0 - -2.000Na+ + 1.000Pyrophos-4 = Na2(Pyrophos)-2 - log_k 2.290 #76SMI/MAR - delta_h 5.858 #kJ/mol #76SMI/MAR - # Enthalpy of formation: -2761.716 #kJ/mol - -analytic 3.31628E+0 0E+0 -3.05984E+2 0E+0 0E+0 - -1.000Na+ + 1.000Al+3 - 4.000H+ + 4.000H2O = NaAl(OH)4 - log_k -23.630 - delta_h 190.348 #kJ/mol - # Enthalpy of formation: -1731.712 #kJ/mol #95POK/HEL - -analytic 9.71749E+0 0E+0 -9.94255E+3 0E+0 0E+0 - -1.000Na+ + 1.000B(OH)4- = NaB(OH)4 - log_k -0.100 - delta_h 1.226 #kJ/mol - # Enthalpy of formation: -1584.23 #kJ/mol - -analytic 1.14786E-1 0E+0 -6.40383E+1 0E+0 0E+0 - -1.000Na+ + 1.000F- = NaF - log_k -0.450 #ANDRA, CRP OHEM 95.002, X. BOURBON, janvier1996; Sélection de données thermodynamiques afférentes aux corrections de Température sur les principaux équilibres chimiques en milieu naturel - delta_h -12.552 #kJ/mol - # Enthalpy of formation: -588.242 #kJ/mol - -analytic -2.64901E+0 0E+0 6.55636E+2 0E+0 0E+0 - -1.000Na+ + 1.000H2(PO4)- = NaH2PO4 - log_k 0.410 #97MAR/SMI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.1E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Na+ + 1.000I- = NaI - log_k -1.520 #estimation NEA87 08/2/95 - delta_h 7.252 #kJ/mol - # Enthalpy of formation: -289.868 #kJ/mol - -analytic -2.49506E-1 0E+0 -3.78798E+2 0E+0 0E+0 - -1.000Na+ - 2.000H+ + 1.000H2(PO4)- = NaPO4-2 - log_k -18.070 #97MAR/SMI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.807E+1 0E+0 0E+0 0E+0 0E+0 - -3.000H+ + 1.000Nb(OH)6- - 3.000H2O = Nb(OH)3+2 - log_k 7.500 #97PEI/NGU - delta_h -10.230 #kJ/mol #97PEI/NGU - # Enthalpy of formation: -1078.405 #kJ/mol - -analytic 5.70778E+0 0E+0 5.34349E+2 0E+0 0E+0 - -2.000H+ + 1.000Nb(OH)6- - 2.000H2O = Nb(OH)4+ - log_k 6.640 #97PEI/NGU - delta_h -35.350 #kJ/mol #97PEI/NGU - # Enthalpy of formation: -1389.355 #kJ/mol - -analytic 4.46955E-1 0E+0 1.84646E+3 0E+0 0E+0 - -1.000H+ + 1.000Nb(OH)6- - 1.000H2O = Nb(OH)5 - log_k 5.080 #97PEI/NGU - delta_h -13.390 #kJ/mol #97PEI/NGU - # Enthalpy of formation: -1653.225 #kJ/mol - -analytic 2.73418E+0 0E+0 6.99407E+2 0E+0 0E+0 - -- 1.000H+ + 1.000Nb(OH)6- + 1.000H2O = Nb(OH)7-2 - log_k -8.880 #97PEI/NGU - delta_h 10.170 #kJ/mol #97PEI/NGU - # Enthalpy of formation: -2201.325 #kJ/mol - -analytic -7.0983E+0 0E+0 -5.31215E+2 0E+0 0E+0 - -5.000H+ + 1.000Nb(OH)6- + 1.000Cit-3 - 4.000H2O = NbO2(H3Cit)+ - log_k 25.640 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.564E+1 0E+0 0E+0 0E+0 0E+0 - -3.000H+ + 1.000Nb(OH)6- + 1.000Ox-2 - 4.000H2O = NbO2(HOx) - log_k 13.700 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.37E+1 0E+0 0E+0 0E+0 0E+0 - -4.000H+ + 1.000Nb(OH)6- + 2.000Ox-2 - 4.000H2O = NbO2(HOx)2- - log_k 20.960 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.096E+1 0E+0 0E+0 0E+0 0E+0 - -2.000H+ + 1.000Nb(OH)6- + 1.000Ox-2 - 4.000H2O = NbO2(Ox)- - log_k 10.940 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.094E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 1.000Acetate- = Ni(Acetate)+ - log_k 1.340 #11RIC/GRI - delta_h -28.257 #kJ/mol - # Enthalpy of formation: -569.279 #kJ/mol - -analytic -3.61041E+0 0E+0 1.47596E+3 0E+0 0E+0 - -1.000Ni+2 + 1.000CO3-2 = Ni(CO3) - log_k 4.200 #03BAE/BRA in 05GAM/BUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.2E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 2.000CO3-2 = Ni(CO3)2-2 - log_k 6.200 #03BAE/BRA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.2E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 1.000Cit-3 = Ni(Cit)- - log_k 6.760 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.76E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 2.000Cit-3 = Ni(Cit)2-4 - log_k 8.500 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.5E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 4.000Cn- = Ni(Cn)4-2 - log_k 30.200 - delta_h -180.700 #kJ/mol #05GAM/BUG - # Enthalpy of formation: 353.688 #kJ/mol - -analytic -1.45723E+0 0E+0 9.4386E+3 0E+0 0E+0 - -1.000Ni+2 + 5.000Cn- = Ni(Cn)5-3 - log_k 28.500 - delta_h -191.100 #kJ/mol #05GAM/BUG - # Enthalpy of formation: 490.638 #kJ/mol - -analytic -4.97923E+0 0E+0 9.98183E+3 0E+0 0E+0 - -1.000Ni+2 + 1.000Edta-4 = Ni(Edta)-2 - log_k 20.540 #05HUM/AND - delta_h -26.100 #kJ/mol - # Enthalpy of formation: -1785.912 #kJ/mol - -analytic 1.59675E+1 0E+0 1.3633E+3 0E+0 0E+0 - -1.000Ni+2 + 2.000H+ + 1.000Cit-3 = Ni(H2Cit)+ - log_k 13.190 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.319E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 1.000H+ + 1.000CO3-2 = Ni(HCO3)+ - log_k 11.730 #03BAE/BRA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.173E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 1.000H+ + 1.000Cit-3 = Ni(HCit) - log_k 10.520 #05HUM/BER - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.052E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 1.000H+ + 1.000Edta-4 = Ni(HEdta)- - log_k 24.200 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.42E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 1.000HIsa- = Ni(HIsa)+ - log_k 2.800 #12GRI/GAR2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.8E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 - 1.000H+ + 1.000H2(PO4)- = Ni(HPO4) - log_k -4.160 #05GAM/BUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.16E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 2.000HS- = Ni(HS)2 - log_k 11.100 #02HUM/BER - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.11E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 1.000Malonate-2 = Ni(Malonate) - log_k 4.390 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.39E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 2.000Malonate-2 = Ni(Malonate)2-2 - log_k 8.150 #98KHA/RAD - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.15E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 1.000NH3 = Ni(NH3)+2 - log_k 2.610 #70LET - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.61E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 2.000NH3 = Ni(NH3)2+2 - log_k 4.760 #70LET - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.76E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 3.000NH3 = Ni(NH3)3+2 - log_k 6.790 #70LET - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.79E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 4.000NH3 = Ni(NH3)4+2 - log_k 8.340 #70LET - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.34E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 1.000NO3- = Ni(NO3)+ - log_k 0.500 #05GAM/BUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 2.000NO3- = Ni(NO3)2 - log_k -0.600 #76SMI/MAR in 89BAE/McK - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 1.000Nta-3 = Ni(Nta)- - log_k 12.750 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.275E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 2.000Nta-3 = Ni(Nta)2-4 - log_k 16.950 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.695E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 - 1.000H+ + 1.000Nta-3 + 1.000H2O = Ni(OH)(Nta)-2 - log_k 1.470 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.47E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 - 1.000H+ + 1.000H2O = Ni(OH)+ - log_k -9.540 #05GAM/BUG - delta_h 53.800 #kJ/mol #05GAM/BUG - # Enthalpy of formation: -287.042 #kJ/mol - -analytic -1.14658E-1 0E+0 -2.81017E+3 0E+0 0E+0 - -1.000Ni+2 - 2.000H+ + 2.000H2O = Ni(OH)2 - log_k -18.000 #49GAY/GAR reevaluated in 05GAM/BUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.8E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 - 3.000H+ + 1.000H2(PO4)- + 2.000H2O = Ni(OH)2(HPO4)-2 - log_k -23.240 #95LEM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.324E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 1.000HIsa- + 3.000H2O - 3.000H+ = Ni(OH)3(HIsa)-2 - log_k -26.500 #12GRI/GAR2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.65E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 - 3.000H+ + 3.000H2O = Ni(OH)3- - log_k -29.380 #49GAY/GAR reevaluated in 05GAM/BUG - delta_h 121.200 #kJ/mol #05GAM/BUG - # Enthalpy of formation: -791.302 #kJ/mol - -analytic -8.1467E+0 0E+0 -6.33071E+3 0E+0 0E+0 - -1.000Ni+2 + 1.000Ox-2 = Ni(Ox) - log_k 5.190 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: -885.672 #kJ/mol - -analytic 5.19E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 2.000Ox-2 = Ni(Ox)2-2 - log_k 7.640 #05HUM/AND - delta_h -7.800 #kJ/mol - # Enthalpy of formation: -1724.132 #kJ/mol - -analytic 6.2735E+0 0E+0 4.07422E+2 0E+0 0E+0 - -1.000Ni+2 + 1.000Phthalat-2 = Ni(Phthalat) - log_k 3.000 #11GRI/COL3 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 1.000Pyrophos-4 = Ni(Pyrophos)-2 - log_k 8.730 #05GAM/BUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.73E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 1.000S2O3-2 = Ni(S2O3) - log_k 2.060 #51DEU/HEI in 64SIL/MAR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.06E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 1.000SO4-2 = Ni(SO4) - log_k 2.350 #05GAM/BUG - delta_h 5.660 #kJ/mol #05GAM/BUG - # Enthalpy of formation: -958.692 #kJ/mol - -analytic 3.34159E+0 0E+0 -2.95642E+2 0E+0 0E+0 - -1.000Ni+2 + 2.000SO4-2 = Ni(SO4)2-2 - log_k 3.010 #89BAE/McK - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.01E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 1.000Scn- = Ni(Scn)+ - log_k 1.810 - delta_h -11.800 #kJ/mol #05GAM/BUG - # Enthalpy of formation: 9.588 #kJ/mol - -analytic -2.57268E-1 0E+0 6.16356E+2 0E+0 0E+0 - -1.000Ni+2 + 2.000Scn- = Ni(Scn)2 - log_k 2.690 - delta_h -21.000 #kJ/mol #05GAM/BUG - # Enthalpy of formation: 76.788 #kJ/mol - -analytic -9.89037E-1 0E+0 1.0969E+3 0E+0 0E+0 - -1.000Ni+2 + 3.000Scn- = Ni(Scn)3- - log_k 3.020 - delta_h -29.000 #kJ/mol #05GAM/BUG - # Enthalpy of formation: 145.188 #kJ/mol - -analytic -2.06057E+0 0E+0 1.51477E+3 0E+0 0E+0 - -1.000Ni+2 + 1.000H+ + 1.000Cn- + 1.000HSe- - 1.000H2O + 0.500O2 = Ni(SeCn)+ - log_k 57.790 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.779E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 2.000H+ + 2.000Cn- + 2.000HSe- - 2.000H2O + 1.000O2 = Ni(SeCn)2 - log_k 114.270 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.1427E+2 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 1.000SeO4-2 = Ni(SeO4) - log_k 2.670 #05OLI/NOL - delta_h -0.675 #kJ/mol - # Enthalpy of formation: -659.187 #kJ/mol - -analytic 2.55175E+0 0E+0 3.52577E+1 0E+0 0E+0 - -2.000Ni+2 - 1.000H+ + 1.000H2O = Ni2(OH)+3 - log_k -10.600 #05GAM/BUG - delta_h 45.900 #kJ/mol #05GAM/BUG - # Enthalpy of formation: -349.954 #kJ/mol - -analytic -2.55868E+0 0E+0 -2.39752E+3 0E+0 0E+0 - -4.000Ni+2 - 4.000H+ + 4.000H2O = Ni4(OH)4+4 - log_k -27.520 #05GAM/BUG - delta_h 190.000 #kJ/mol #05GAM/BUG - # Enthalpy of formation: -1173.368 #kJ/mol - -analytic 5.76652E+0 0E+0 -9.92438E+3 0E+0 0E+0 - -1.000Ni+2 + 1.000Cl- = NiCl+ - log_k 0.080 #05GAM/BUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8E-2 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 1.000F- = NiF+ - log_k 1.430 #05GAM/BUG - delta_h 9.500 #kJ/mol #05GAM/BUG - # Enthalpy of formation: -380.862 #kJ/mol - -analytic 3.09433E+0 0E+0 -4.96219E+2 0E+0 0E+0 - -1.000Ni+2 + 1.000H+ + 1.000AsO4-3 = NiHAsO4 - log_k 14.500 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.45E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 1.000H+ + 1.000Pyrophos-4 = NiHPyrophos- - log_k 14.540 #05GAM/BUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.454E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 1.000HS- = NiHS+ - log_k 5.500 #02HUM/BER - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.5E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 + 1.000Acetate- = Np(Acetate)+3 - log_k 5.830 #12GRI/GAR2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.83E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 + 2.000Acetate- = Np(Acetate)2+2 - log_k 10.000 #11RIC/GRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 - 3.000H+ + 1.000CO3-2 + 3.000H2O = Np(CO3)(OH)3- - log_k 3.820 #93ERI/NDA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.82E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Np+3 + 1.000CO3-2 = Np(CO3)+ - log_k 7.670 #Estimated by correlation with An(III) in function of ionic radii - delta_h 156.370 #kJ/mol - # Enthalpy of formation: -1046.044 #kJ/mol - -analytic 3.50648E+1 0E+0 -8.16776E+3 0E+0 0E+0 - -1.000Np+3 + 2.000CO3-2 = Np(CO3)2- - log_k 12.600 #Estimated by correlation with An(III) in function of ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.26E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Np+3 + 3.000CO3-2 = Np(CO3)3-3 - log_k 15.660 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.566E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 + 4.000CO3-2 = Np(CO3)4-4 - log_k 36.680 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.668E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 + 5.000CO3-2 = Np(CO3)5-6 - log_k 35.610 #01LEM/FUG - delta_h -1.612 #kJ/mol - # Enthalpy of formation: -3933.784 #kJ/mol - -analytic 3.53276E+1 0E+0 8.42005E+1 0E+0 0E+0 - -1.000Np+4 + 1.000Edta-4 = Np(Edta) - log_k 31.200 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.12E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Np+3 + 1.000Edta-4 = Np(Edta)- - log_k 19.900 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.99E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Np+3 - 2.000H+ + 2.000H2(PO4)- = Np(HPO4)2- - log_k -5.380 #Estimated by correlation with An(III) in function of ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.38E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 + 1.000NO3- = Np(NO3)+3 - log_k 1.900 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.9E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Np+3 + 1.000Nta-3 = Np(Nta) - log_k 13.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.3E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 + 1.000Nta-3 = Np(Nta)+ - log_k 20.700 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.07E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 + 2.000Nta-3 = Np(Nta)2-2 - log_k 36.300 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.63E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Np+3 - 1.000H+ + 1.000H2O = Np(OH)+2 - log_k -6.800 #01LEM/FUG - delta_h 77.089 #kJ/mol - # Enthalpy of formation: -735.925 #kJ/mol - -analytic 6.70539E+0 0E+0 -4.02663E+3 0E+0 0E+0 - -1.000Np+4 - 1.000H+ + 1.000H2O = Np(OH)+3 - log_k 0.550 #03GUI/FAN - delta_h 38.192 #kJ/mol - # Enthalpy of formation: -803.66 #kJ/mol - -analytic 7.24094E+0 0E+0 -1.9949E+3 0E+0 0E+0 - -1.000Np+4 - 2.000H+ + 2.000CO3-2 + 2.000H2O = Np(OH)2(CO3)2-2 - log_k 15.170 #99RAI/HES2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.517E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Np+3 - 2.000H+ + 2.000H2O = Np(OH)2+ - log_k -17.000 #80ALL/KIP - delta_h 155.529 #kJ/mol - # Enthalpy of formation: -943.315 #kJ/mol - -analytic 1.02475E+1 0E+0 -8.12383E+3 0E+0 0E+0 - -1.000Np+4 - 2.000H+ + 2.000H2O = Np(OH)2+2 - log_k 0.350 #03GUI/FAN - delta_h 54.530 #kJ/mol - # Enthalpy of formation: -1073.152 #kJ/mol - -analytic 9.90323E+0 0E+0 -2.8483E+3 0E+0 0E+0 - -1.000Np+3 - 3.000H+ + 3.000H2O = Np(OH)3 - log_k -27.000 #80ALL/KIP - delta_h 235.824 #kJ/mol - # Enthalpy of formation: -1148.85 #kJ/mol - -analytic 1.43145E+1 0E+0 -1.23179E+4 0E+0 0E+0 - -1.000Np+4 - 3.000H+ + 1.000HGlu- + 3.000H2O = Np(OH)3(HGlu) - log_k 3.270 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.27E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 - 3.000H+ + 1.000HIsa- + 3.000H2O = Np(OH)3(HIsa) - log_k 3.270 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.27E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 - 3.000H+ + 2.000HIsa- + 3.000H2O = Np(OH)3(HIsa)2- - log_k 5.380 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.38E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 - 3.000H+ + 3.000H2O = Np(OH)3+ - log_k -2.800 #01NEC/KIM, 99NEC - delta_h 74.932 #kJ/mol - # Enthalpy of formation: -1338.58 #kJ/mol - -analytic 1.03275E+1 0E+0 -3.91397E+3 0E+0 0E+0 - -1.000Np+4 - 4.000H+ + 4.000H2O = Np(OH)4 - log_k -8.300 #03GUI/FAN - delta_h 101.442 #kJ/mol - # Enthalpy of formation: -1597.9 #kJ/mol - -analytic 9.47185E+0 0E+0 -5.29868E+3 0E+0 0E+0 - -1.000Np+4 - 4.000H+ + 1.000CO3-2 + 4.000H2O = Np(OH)4(CO3)-2 - log_k -6.830 #93ERI/NDA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.83E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 - 4.000H+ + 1.000HGlu- + 4.000H2O = Np(OH)4(HGlu)- - log_k -3.700 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.7E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 - 4.000H+ + 1.000HIsa- + 4.000H2O = Np(OH)4(HIsa)- - log_k -4.060 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.06E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 - 4.000H+ + 2.000HIsa- + 4.000H2O = Np(OH)4(HIsa)2-2 - log_k -2.200 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.2E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 + 1.000Ox-2 = Np(Ox)+2 - log_k 11.160 #12GRI/GAR2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.116E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 + 2.000Ox-2 = Np(Ox)2 - log_k 19.940 #12GRI/GAR2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.994E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 + 3.000Ox-2 = Np(Ox)3-2 - log_k 25.190 #12GRI/GAR2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.519E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Np+3 - 4.000H+ + 2.000H2(PO4)- = Np(PO4)2-3 - log_k -19.570 #Estimated by correlation with An(III) in function of ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.957E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Np+3 + 1.000SO4-2 = Np(SO4)+ - log_k 3.860 #Estimated by correlation with An(III) in function of ionic radii - delta_h 17.889 #kJ/mol - # Enthalpy of formation: -1418.638 #kJ/mol - -analytic 6.99401E+0 0E+0 -9.34406E+2 0E+0 0E+0 - -1.000Np+4 + 1.000SO4-2 = Np(SO4)+2 - log_k 6.850 #01LEM/FUG - delta_h 29.840 #kJ/mol #01LEM/FUG - # Enthalpy of formation: -1435.522 #kJ/mol #01LEM/FUG - -analytic 1.20777E+1 0E+0 -1.55865E+3 0E+0 0E+0 - -1.000Np+4 + 2.000SO4-2 = Np(SO4)2 - log_k 11.050 #01LEM/FUG - delta_h 55.380 #kJ/mol #01LEM/FUG - # Enthalpy of formation: -2319.322 #kJ/mol - -analytic 2.07521E+1 0E+0 -2.89269E+3 0E+0 0E+0 - -1.000Np+3 + 2.000SO4-2 = Np(SO4)2- - log_k 5.560 #Estimated by correlation with An(III) in function of ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.56E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 + 1.000Br- = NpBr+3 - log_k 1.550 #Estimated by correlation with An(IV) in function of ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.55E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 + 1.000Cl- = NpCl+3 - log_k 1.500 #01LEM/FUG - delta_h 24.173 #kJ/mol - # Enthalpy of formation: -698.929 #kJ/mol - -analytic 5.73492E+0 0E+0 -1.26264E+3 0E+0 0E+0 - -1.000Np+4 + 1.000F- = NpF+3 - log_k 8.960 #01LEM/FUG - delta_h 1.500 #kJ/mol #01LEM/FUG - # Enthalpy of formation: -889.872 #kJ/mol - -analytic 9.22279E+0 0E+0 -7.83503E+1 0E+0 0E+0 - -1.000Np+4 + 2.000F- = NpF2+2 - log_k 15.700 #01LEM/FUG - delta_h 15.930 #kJ/mol - # Enthalpy of formation: -1210.792 #kJ/mol - -analytic 1.84908E+1 0E+0 -8.32081E+2 0E+0 0E+0 - -1.000Np+4 + 3.000F- = NpF3+ - log_k 20.050 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.005E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 + 4.000F- = NpF4 - log_k 25.950 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.595E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Np+3 - 1.000H+ + 1.000H2(PO4)- = NpHPO4+ - log_k -1.780 #Estimated by correlation with An(III) in function of ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.78E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 + 1.000I- = NpI+3 - log_k 1.500 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.5E+0 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+ + 1.000Acetate- = NpO2(Acetate) - log_k 1.320 #11RIC/GRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.32E+0 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+ + 2.000Acetate- = NpO2(Acetate)2- - log_k 3.420 #09TAK/TAK - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.42E+0 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+ + 3.000Acetate- = NpO2(Acetate)3-2 - log_k 3.570 #09TAK/TAK - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.57E+0 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+2 + 1.000CO3-2 = NpO2(CO3) - log_k 9.320 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.32E+0 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+2 - 2.000H+ + 1.000CO3-2 + 2.000H2O = NpO2(CO3)(OH)2-2 - log_k -7.690 #99CHO/BRO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -7.69E+0 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+ + 1.000CO3-2 = NpO2(CO3)- - log_k 4.960 #01LEM/FUG - delta_h 59.904 #kJ/mol - # Enthalpy of formation: -1593.507 #kJ/mol - -analytic 1.54547E+1 0E+0 -3.129E+3 0E+0 0E+0 - -1.000NpO2+2 + 2.000CO3-2 = NpO2(CO3)2-2 - log_k 16.520 #01LEM/FUG - delta_h 13.776 #kJ/mol - # Enthalpy of formation: -2197.417 #kJ/mol - -analytic 1.89334E+1 0E+0 -7.1957E+2 0E+0 0E+0 - -1.000NpO2+ + 2.000CO3-2 = NpO2(CO3)2-3 - log_k 6.530 #01LEM/FUG - delta_h 39.027 #kJ/mol - # Enthalpy of formation: -2289.614 #kJ/mol - -analytic 1.33672E+1 0E+0 -2.03852E+3 0E+0 0E+0 - -1.000NpO2+ - 1.000H+ + 2.000CO3-2 + 1.000H2O = NpO2(CO3)2OH-4 - log_k -5.310 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.31E+0 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+2 + 3.000CO3-2 = NpO2(CO3)3-4 - log_k 19.370 - delta_h -41.900 #kJ/mol - # Enthalpy of formation: -2928.323 #kJ/mol #01LEM/FUG - -analytic 1.20294E+1 0E+0 2.18859E+3 0E+0 0E+0 - -1.000NpO2+ + 3.000CO3-2 = NpO2(CO3)3-5 - log_k 5.500 - delta_h -13.249 #kJ/mol - # Enthalpy of formation: -3017.12 #kJ/mol #01LEM/FUG - -analytic 3.17888E+0 0E+0 6.92042E+2 0E+0 0E+0 - -1.000NpO2+ + 1.000Cit-3 = NpO2(Cit)-2 - log_k 3.680 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.68E+0 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+ + 1.000Edta-4 = NpO2(Edta)-3 - log_k 9.230 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.23E+0 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+ + 2.000H+ + 1.000Edta-4 = NpO2(H2Edta)- - log_k 22.510 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.251E+1 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+ + 1.000H+ + 1.000Edta-4 = NpO2(HEdta)-2 - log_k 17.060 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.706E+1 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+ + 1.000H+ + 1.000Nta-3 = NpO2(HNta)- - log_k 11.700 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.17E+1 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+2 - 1.000H+ + 1.000H2(PO4)- = NpO2(HPO4) - log_k -1.010 #01LEM/FUG - delta_h 92.209 #kJ/mol - # Enthalpy of formation: -2071.124 #kJ/mol - -analytic 1.51443E+1 0E+0 -4.8164E+3 0E+0 0E+0 - -1.000NpO2+2 - 2.000H+ + 2.000H2(PO4)- = NpO2(HPO4)2-2 - log_k -4.920 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.92E+0 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+2 + 1.000NO3- = NpO2(NO3)+ - log_k 0.100 #12GRI/GAR2 in analogy to UO2(NO3)+ - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1E-1 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+2 + 1.000Nta-3 = NpO2(Nta)- - log_k 11.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.1E+1 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+ + 1.000Nta-3 = NpO2(Nta)-2 - log_k 7.460 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7.46E+0 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+ - 1.000H+ + 1.000H2O = NpO2(OH) - log_k -11.300 #01LEM/FUG - delta_h 64.785 #kJ/mol - # Enthalpy of formation: -1199.226 #kJ/mol - -analytic 4.98281E-2 0E+0 -3.38395E+3 0E+0 0E+0 - -1.000NpO2+ - 1.000H+ + 1.000Nta-3 + 1.000H2O = NpO2(OH)(Nta)-3 - log_k -4.700 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.7E+0 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+2 - 1.000H+ + 1.000H2O = NpO2(OH)+ - log_k -5.100 #01LEM/FUG - delta_h 42.957 #kJ/mol - # Enthalpy of formation: -1103.606 #kJ/mol - -analytic 2.42573E+0 0E+0 -2.2438E+3 0E+0 0E+0 - -1.000NpO2+2 - 2.000H+ + 2.000H2O = NpO2(OH)2 - log_k -12.210 #Estimated by correlation with An(VI) in funciton of ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.221E+1 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+ - 2.000H+ + 2.000H2O = NpO2(OH)2- - log_k -23.600 #01LEM/FUG - delta_h 118.610 #kJ/mol - # Enthalpy of formation: -1431.23 #kJ/mol - -analytic -2.82045E+0 0E+0 -6.19542E+3 0E+0 0E+0 - -1.000NpO2+ + 1.000Ox-2 = NpO2(Ox)- - log_k 3.900 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.9E+0 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+ + 2.000Ox-2 = NpO2(Ox)2-3 - log_k 5.800 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.8E+0 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+2 + 1.000SO4-2 = NpO2(SO4) - log_k 3.280 #01LEM/FUG - delta_h 16.700 #kJ/mol #01LEM/FUG - # Enthalpy of formation: -1753.373 #kJ/mol - -analytic 6.20571E+0 0E+0 -8.723E+2 0E+0 0E+0 - -1.000NpO2+ + 1.000SO4-2 = NpO2(SO4)- - log_k 0.440 #01LEM/FUG - delta_h 23.200 #kJ/mol #01LEM/FUG - # Enthalpy of formation: -1864.321 #kJ/mol - -analytic 4.50446E+0 0E+0 -1.21182E+3 0E+0 0E+0 - -1.000NpO2+2 + 2.000SO4-2 = NpO2(SO4)2-2 - log_k 4.700 #01LEM/FUG - delta_h 26.000 #kJ/mol #01LEM/FUG - # Enthalpy of formation: -2653.413 #kJ/mol - -analytic 9.255E+0 0E+0 -1.35807E+3 0E+0 0E+0 - -1.000NpO2+ + 1.000Cl- = NpO2Cl - log_k -0.930 #94NEC/KIM - delta_h 25.972 #kJ/mol - # Enthalpy of formation: -1119.289 #kJ/mol - -analytic 3.62009E+0 0E+0 -1.35661E+3 0E+0 0E+0 - -1.000NpO2+2 + 1.000Cl- = NpO2Cl+ - log_k 0.400 #01LEM/FUG - delta_h 8.387 #kJ/mol - # Enthalpy of formation: -1019.426 #kJ/mol - -analytic 1.86934E+0 0E+0 -4.38083E+2 0E+0 0E+0 - -1.000NpO2+ + 1.000F- = NpO2F - log_k 1.200 #01LEM/FUG - delta_h 40.768 #kJ/mol - # Enthalpy of formation: -1272.763 #kJ/mol - -analytic 8.34224E+0 0E+0 -2.12946E+3 0E+0 0E+0 - -1.000NpO2+2 + 1.000F- = NpO2F+ - log_k 4.570 #01LEM/FUG - delta_h 1.400 #kJ/mol - # Enthalpy of formation: -1194.683 #kJ/mol - -analytic 4.81527E+0 0E+0 -7.3127E+1 0E+0 0E+0 - -1.000NpO2+2 + 2.000F- = NpO2F2 - log_k 7.600 #01LEM/FUG - delta_h 4.321 #kJ/mol - # Enthalpy of formation: -1527.112 #kJ/mol - -analytic 8.35701E+0 0E+0 -2.25701E+2 0E+0 0E+0 - -1.000NpO2+2 + 1.000H2(PO4)- = NpO2H2PO4+ - log_k 3.320 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.32E+0 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+ - 1.000H+ + 1.000H2(PO4)- = NpO2HPO4- - log_k -4.260 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.26E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Np+3 - 2.000H+ + 1.000H2(PO4)- = NpPO4 - log_k -7.830 #Estimated by correlation with An(III) in function of ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -7.83E+0 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000H2O = OH- - log_k -14.000 - delta_h 55.815 #kJ/mol - # Enthalpy of formation: -230.015 #kJ/mol #89COX/WAG - -analytic -4.22165E+0 0E+0 -2.91542E+3 0E+0 0E+0 - -- 2.000H+ + 1.000H2(PO4)- = PO4-3 - log_k -19.560 #89COX/WAG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: -1284.4 #kJ/mol #89COX/WAG - -analytic -1.956E+1 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000Pa+4 + 1.000H2O = Pa(OH)+3 - log_k 0.840 #76BAE/MES - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.4E-1 0E+0 0E+0 0E+0 0E+0 - -- 2.000H+ + 1.000Pa+4 + 2.000H2O = Pa(OH)2+2 - log_k -0.020 #76BAE/MES - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2E-2 0E+0 0E+0 0E+0 0E+0 - -- 3.000H+ + 1.000Pa+4 + 3.000H2O = Pa(OH)3+ - log_k -1.500 #76BAE/MES - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.5E+0 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000PaO2+ = PaO(OH)+2 - log_k 1.250 #Original data 03TRU/LEN and 04FOU/PER - delta_h -5.700 #kJ/mol #03TRU/LEN - # Enthalpy of formation: #kJ/mol - -analytic 2.51404E-1 0E+0 2.97731E+2 0E+0 0E+0 - -2.000H+ + 1.000SO4-2 + 1.000PaO2+ - 1.000H2O = PaO(SO4)+ - log_k 5.130 #07GIA/TRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.13E+0 0E+0 0E+0 0E+0 0E+0 - -2.000H+ + 2.000SO4-2 + 1.000PaO2+ - 1.000H2O = PaO(SO4)2- - log_k 8.240 #07GIA/TRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.24E+0 0E+0 0E+0 0E+0 0E+0 - -2.000H+ + 3.000SO4-2 + 1.000PaO2+ - 1.000H2O = PaO(SO4)3-3 - log_k 9.830 #07GIA/TRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.83E+0 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000PaO2+ + 1.000H2O = PaO2(OH) - log_k -7.000 #Original data 03TRU/LEN and 04FOU/PER - delta_h 61.000 #kJ/mol #03TRU/LEN - # Enthalpy of formation: #kJ/mol - -analytic 3.68673E+0 0E+0 -3.18625E+3 0E+0 0E+0 - -- 2.000H+ + 1.000PaO2+ + 2.000H2O = PaO2(OH)2- - log_k -16.400 #04FOU/PER - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.64E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pb+2 + 1.000B(OH)4- = Pb(B(OH)4)+ - log_k 5.200 #80BAS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.2E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pb+2 + 3.000B(OH)4- = Pb(B(OH)4)3- - log_k 11.180 #80BAS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.118E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pb+2 + 1.000CO3-2 = Pb(CO3) - log_k 7.000 #06BLA/PIA - delta_h -3.015 #kJ/mol - # Enthalpy of formation: -677.325 #kJ/mol - -analytic 6.4718E+0 0E+0 1.57484E+2 0E+0 0E+0 - -1.000Pb+2 + 2.000CO3-2 = Pb(CO3)2-2 - log_k 10.130 #99LOT/OCH - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.013E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pb+2 + 1.000H2(PO4)- = Pb(H2PO4)+ - log_k 1.500 #74NRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.5E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pb+2 + 2.000HS- = Pb(HS)2 - log_k 15.010 #06BLA/PIA - delta_h -65.579 #kJ/mol - # Enthalpy of formation: -97.259 #kJ/mol - -analytic 3.52107E+0 0E+0 3.42542E+3 0E+0 0E+0 - -1.000Pb+2 + 3.000HS- = Pb(HS)3- - log_k 16.260 #06BLA/PIA - delta_h -73.328 #kJ/mol - # Enthalpy of formation: -121.308 #kJ/mol - -analytic 3.4135E+0 0E+0 3.83018E+3 0E+0 0E+0 - -1.000Pb+2 + 1.000NO3- = Pb(NO3)+ - log_k 1.060 #99LOT/OCH - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.06E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pb+2 + 2.000NO3- = Pb(NO3)2 - log_k 1.480 #99LOT/OCH - delta_h -11.012 #kJ/mol - # Enthalpy of formation: 401.768 #kJ/mol - -analytic -4.49217E-1 0E+0 5.75196E+2 0E+0 0E+0 - -1.000Pb+2 - 1.000H+ + 1.000H2O = Pb(OH)+ - log_k -7.510 #99LOT/OCH - delta_h 53.920 #kJ/mol - # Enthalpy of formation: -230.99 #kJ/mol - -analytic 1.93636E+0 0E+0 -2.81643E+3 0E+0 0E+0 - -1.000Pb+2 - 2.000H+ + 2.000H2O = Pb(OH)2 - log_k -16.950 #99LOT/OCH - delta_h 97.824 #kJ/mol - # Enthalpy of formation: -472.916 #kJ/mol - -analytic 1.88004E-1 0E+0 -5.1097E+3 0E+0 0E+0 - -1.000Pb+2 - 3.000H+ + 3.000H2O = Pb(OH)3- - log_k -27.200 #01PER/HEF - delta_h 130.485 #kJ/mol - # Enthalpy of formation: -726.085 #kJ/mol - -analytic -4.34004E+0 0E+0 -6.8157E+3 0E+0 0E+0 - -1.000Pb+2 - 4.000H+ + 4.000H2O = Pb(OH)4-2 - log_k -38.900 #01PER/HEF - delta_h 197.474 #kJ/mol - # Enthalpy of formation: -944.926 #kJ/mol - -analytic -4.30409E+0 0E+0 -1.03148E+4 0E+0 0E+0 - -1.000Pb+2 + 1.000SO4-2 = Pb(SO4) - log_k 2.820 #99LOT/OCH - delta_h 6.861 #kJ/mol - # Enthalpy of formation: -901.559 #kJ/mol - -analytic 4.02199E+0 0E+0 -3.58374E+2 0E+0 0E+0 - -1.000Pb+2 + 2.000SO4-2 = Pb(SO4)2-2 - log_k 3.470 #97MAR/SMI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.47E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pb+2 + 1.000SeO3-2 = Pb(SeO3) - log_k 5.730 #01SEB/POT2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.73E+0 0E+0 0E+0 0E+0 0E+0 - -2.000Pb+2 - 1.000H+ + 1.000H2O = Pb2(OH)+3 - log_k -7.180 #99LOT/OCH - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -7.18E+0 0E+0 0E+0 0E+0 0E+0 - -4.000Pb+2 - 4.000H+ + 4.000H2O = Pb4(OH)4+4 - log_k -20.630 #99LOT/OCH - delta_h 82.038 #kJ/mol - # Enthalpy of formation: -1057.602 #kJ/mol - -analytic -6.25758E+0 0E+0 -4.28514E+3 0E+0 0E+0 - -6.000Pb+2 - 8.000H+ + 8.000H2O = Pb6(OH)8+4 - log_k -42.680 #99LOT/OCH - delta_h 192.157 #kJ/mol - # Enthalpy of formation: -2088.963 #kJ/mol - -analytic -9.01559E+0 0E+0 -1.0037E+4 0E+0 0E+0 - -1.000Pb+2 + 1.000Br- = PbBr+ - log_k 1.700 #82HÖG - delta_h 4.228 #kJ/mol - # Enthalpy of formation: -116.262 #kJ/mol - -analytic 2.44071E+0 0E+0 -2.20843E+2 0E+0 0E+0 - -1.000Pb+2 + 2.000Br- = PbBr2 - log_k 1.900 #82HÖG - delta_h 10.991 #kJ/mol - # Enthalpy of formation: -230.909 #kJ/mol - -analytic 3.82554E+0 0E+0 -5.74099E+2 0E+0 0E+0 - -1.000Pb+2 + 3.000Br- = PbBr3- - log_k 2.900 #82HÖG - delta_h 10.653 #kJ/mol - # Enthalpy of formation: -352.657 #kJ/mol - -analytic 4.76632E+0 0E+0 -5.56444E+2 0E+0 0E+0 - -1.000Pb+2 + 1.000Cl- = PbCl+ - log_k 1.440 #97SVE/SHO - delta_h 4.318 #kJ/mol - # Enthalpy of formation: -161.842 #kJ/mol - -analytic 2.19648E+0 0E+0 -2.25545E+2 0E+0 0E+0 - -1.000Pb+2 + 2.000Cl- = PbCl2 - log_k 2.000 #97SVE/SHO - delta_h 7.949 #kJ/mol - # Enthalpy of formation: -325.291 #kJ/mol - -analytic 3.3926E+0 0E+0 -4.15205E+2 0E+0 0E+0 - -1.000Pb+2 + 3.000Cl- = PbCl3- - log_k 1.690 #97SVE/SHO - delta_h 7.813 #kJ/mol - # Enthalpy of formation: -492.507 #kJ/mol - -analytic 3.05878E+0 0E+0 -4.08101E+2 0E+0 0E+0 - -1.000Pb+2 + 4.000Cl- = PbCl4-2 - log_k 1.400 #97SVE/SHO - delta_h 1.323 #kJ/mol - # Enthalpy of formation: -666.077 #kJ/mol - -analytic 1.63178E+0 0E+0 -6.9105E+1 0E+0 0E+0 - -1.000Pb+2 + 1.000F- = PbF+ - log_k 2.270 #99LOT/OCH - delta_h -4.054 #kJ/mol - # Enthalpy of formation: -338.484 #kJ/mol - -analytic 1.55977E+0 0E+0 2.11755E+2 0E+0 0E+0 - -1.000Pb+2 + 2.000F- = PbF2 - log_k 3.010 #99LOT/OCH - delta_h -8.881 #kJ/mol - # Enthalpy of formation: -678.661 #kJ/mol - -analytic 1.45412E+0 0E+0 4.63886E+2 0E+0 0E+0 - -1.000Pb+2 - 1.000H+ + 1.000H2(PO4)- = PbHPO4 - log_k -4.110 #74NRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.11E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pb+2 + 1.000I- = PbI+ - log_k 1.980 #82HÖG - delta_h 3.874 #kJ/mol - # Enthalpy of formation: -51.986 #kJ/mol - -analytic 2.65869E+0 0E+0 -2.02353E+2 0E+0 0E+0 - -1.000Pb+2 + 2.000I- = PbI2 - log_k 3.150 #82HÖG - delta_h 7.106 #kJ/mol - # Enthalpy of formation: -105.534 #kJ/mol - -analytic 4.39492E+0 0E+0 -3.71172E+2 0E+0 0E+0 - -1.000Pb+2 + 3.000I- = PbI3- - log_k 3.810 #82HÖG - delta_h 3.163 #kJ/mol - # Enthalpy of formation: -166.257 #kJ/mol - -analytic 4.36413E+0 0E+0 -1.65215E+2 0E+0 0E+0 - -1.000Pb+2 + 4.000I- = PbI4-2 - log_k 3.750 #82HÖG - delta_h -15.561 #kJ/mol - # Enthalpy of formation: -241.761 #kJ/mol - -analytic 1.02383E+0 0E+0 8.12806E+2 0E+0 0E+0 - -1.000Pb+2 + 1.000Pyrophos-4 = PbPyrophos-2 - log_k 8.330 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.33E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pd+2 + 1.000CO3-2 = Pd(CO3) - log_k 6.830 #87BRO/WAN - delta_h -8.829 #kJ/mol - # Enthalpy of formation: -494.175 #kJ/mol - -analytic 5.28323E+0 0E+0 4.6117E+2 0E+0 0E+0 - -1.000Pd+2 + 2.000CO3-2 = Pd(CO3)2-2 - log_k 12.530 #87BRO/WAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.253E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pd+2 + 1.000NH3 = Pd(NH3)+2 - log_k 9.600 #68RAS/JOR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.6E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pd+2 + 2.000NH3 = Pd(NH3)2+2 - log_k 18.500 #68RAS/JOR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.85E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pd+2 + 3.000NH3 = Pd(NH3)3+2 - log_k 26.000 #68RAS/JOR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.6E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pd+2 + 4.000NH3 = Pd(NH3)4+2 - log_k 32.800 #68RAS/JOR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.28E+1 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000Pd+2 + 1.000H2O = Pd(OH)+ - log_k -1.860 #70NAB/KAL - delta_h 11.900 #kJ/mol - # Enthalpy of formation: -84.047 #kJ/mol - -analytic 2.24787E-1 0E+0 -6.21579E+2 0E+0 0E+0 - -- 2.000H+ + 1.000Pd+2 + 2.000H2O = Pd(OH)2 - log_k -3.790 #70NAB/KAL - delta_h 15.293 #kJ/mol - # Enthalpy of formation: -366.483 #kJ/mol - -analytic -1.11079E+0 0E+0 -7.98808E+2 0E+0 0E+0 - -- 3.000H+ + 1.000Pd+2 + 3.000H2O = Pd(OH)3- - log_k -15.930 #70NAB/KAL - delta_h 54.863 #kJ/mol - # Enthalpy of formation: -612.744 #kJ/mol - -analytic -6.31843E+0 0E+0 -2.86569E+3 0E+0 0E+0 - -- 4.000H+ + 1.000Pd+2 + 4.000H2O = Pd(OH)4-2 - log_k -29.360 #70NAB/KAL - delta_h 118.563 #kJ/mol - # Enthalpy of formation: -834.874 #kJ/mol - -analytic -8.58868E+0 0E+0 -6.19297E+3 0E+0 0E+0 - -1.000Pd+2 + 1.000SO4-2 = Pd(SO4) - log_k 2.910 #87BRO/WAN - delta_h 4.596 #kJ/mol - # Enthalpy of formation: -714.86 #kJ/mol - -analytic 3.71518E+0 0E+0 -2.40065E+2 0E+0 0E+0 - -1.000Pd+2 + 2.000SO4-2 = Pd(SO4)2-2 - log_k 4.170 #82HOG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.17E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pd+2 + 1.000Br- = PdBr+ - log_k 5.770 #72ELD - delta_h -30.140 #kJ/mol - # Enthalpy of formation: 38.344 #kJ/mol - -analytic 4.89706E-1 0E+0 1.57432E+3 0E+0 0E+0 - -1.000Pd+2 + 2.000Br- = PdBr2 - log_k 10.060 #72ELD - delta_h -57.708 #kJ/mol - # Enthalpy of formation: -110.645 #kJ/mol - -analytic -4.99928E-2 0E+0 3.01429E+3 0E+0 0E+0 - -1.000Pd+2 + 3.000Br- = PdBr3- - log_k 13.750 #72ELD - delta_h -92.385 #kJ/mol - # Enthalpy of formation: -266.731 #kJ/mol - -analytic -2.43513E+0 0E+0 4.8256E+3 0E+0 0E+0 - -1.000Pd+2 + 4.000Br- = PdBr4-2 - log_k 15.110 #72ELD - delta_h -126.683 #kJ/mol - # Enthalpy of formation: -422.439 #kJ/mol - -analytic -7.08388E+0 0E+0 6.6171E+3 0E+0 0E+0 - -1.000Pd+2 + 1.000Cl- = PdCl+ - log_k 5.100 #99LOT/OCH - delta_h -24.542 #kJ/mol - # Enthalpy of formation: -1.739 #kJ/mol - -analytic 8.00432E-1 0E+0 1.28192E+3 0E+0 0E+0 - -1.000Pd+2 + 2.000Cl- = PdCl2 - log_k 8.300 #99LOT/OCH - delta_h -47.297 #kJ/mol - # Enthalpy of formation: -191.573 #kJ/mol - -analytic 1.39334E-2 0E+0 2.47049E+3 0E+0 0E+0 - -- 1.000H+ + 1.000Pd+2 + 3.000Cl- + 1.000H2O = PdCl3(OH)-2 - log_k 2.310 #00BYR/YAO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.31E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pd+2 + 3.000Cl- = PdCl3- - log_k 10.900 #99LOT/OCH - delta_h -77.344 #kJ/mol - # Enthalpy of formation: -388.7 #kJ/mol - -analytic -2.65007E+0 0E+0 4.03995E+3 0E+0 0E+0 - -1.000Pd+2 + 4.000Cl- = PdCl4-2 - log_k 11.700 #99LOT/OCH - delta_h -112.469 #kJ/mol - # Enthalpy of formation: -590.906 #kJ/mol - -analytic -8.00369E+0 0E+0 5.87466E+3 0E+0 0E+0 - -1.000Pd+2 + 1.000I- = PdI+ - log_k 10.400 #89BAE/McK - delta_h -58.201 #kJ/mol - # Enthalpy of formation: 74.902 #kJ/mol - -analytic 2.03637E-1 0E+0 3.04005E+3 0E+0 0E+0 - -1.000Pd+2 + 2.000I- = PdI2 - log_k 14.500 #97BOU - delta_h -83.420 #kJ/mol - # Enthalpy of formation: -7.096 #kJ/mol - -analytic -1.14535E-1 0E+0 4.35732E+3 0E+0 0E+0 - -1.000Pd+2 + 3.000I- = PdI3- - log_k 18.600 #97BOU - delta_h -121.750 #kJ/mol - # Enthalpy of formation: -102.207 #kJ/mol - -analytic -2.72965E+0 0E+0 6.35944E+3 0E+0 0E+0 - -1.000Pd+2 + 4.000I- = PdI4-2 - log_k 24.640 - delta_h -190.052 #kJ/mol - # Enthalpy of formation: -227.288 #kJ/mol - -analytic -8.65563E+0 0E+0 9.92709E+3 0E+0 0E+0 - -1.000Pu+3 + 1.000Acetate- = Pu(Acetate)+2 - log_k 2.850 #69MOS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.85E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+4 + 1.000Acetate- = Pu(Acetate)+3 - log_k 5.930 #62SCH/NEB - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.93E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+3 + 2.000Acetate- = Pu(Acetate)2+ - log_k 5.060 #69MOS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.06E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+4 + 2.000Acetate- = Pu(Acetate)2+2 - log_k 10.090 #62SCH/NEB - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.009E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+3 + 3.000Acetate- = Pu(Acetate)3 - log_k 6.570 #69MOS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.57E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+3 + 1.000CO3-2 = Pu(CO3)+ - log_k 7.640 #Estimated by correlation with An(III) in function of ionic radii - delta_h 152.754 #kJ/mol - # Enthalpy of formation: -1114.266 #kJ/mol - -analytic 3.44013E+1 0E+0 -7.97889E+3 0E+0 0E+0 - -1.000Pu+4 - 2.000H+ + 2.000CO3-2 + 2.000H2O = Pu(CO3)2(OH)2-2 - log_k 16.760 #99RAI/HES1 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.676E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+3 + 2.000CO3-2 = Pu(CO3)2- - log_k 12.540 #Estimated by correlation with An(III) in function of ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.254E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+3 + 3.000CO3-2 = Pu(CO3)3-3 - log_k 16.400 #Estimated by correlation with An(III) in function of ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.64E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+4 + 4.000CO3-2 = Pu(CO3)4-4 - log_k 37.000 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.7E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+4 + 5.000CO3-2 = Pu(CO3)5-6 - log_k 35.650 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.565E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+4 + 1.000Edta-4 = Pu(Edta) - log_k 31.800 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.18E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+3 + 1.000Edta-4 = Pu(Edta)- - log_k 20.180 #05HUM/AND - delta_h -8.700 #kJ/mol - # Enthalpy of formation: -2305.29 #kJ/mol - -analytic 1.86558E+1 0E+0 4.54432E+2 0E+0 0E+0 - -1.000Pu+3 + 1.000H2(PO4)- = Pu(H2PO4)+2 - log_k 2.200 #10RAI/MOO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.2E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+3 + 1.000H+ + 1.000Edta-4 = Pu(HEdta) - log_k 22.020 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.202E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+3 - 1.000H+ + 1.000H2(PO4)- = Pu(HPO4)+ - log_k -1.820 #Estimated by correlation with An(III) in function of ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.82E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+3 - 2.000H+ + 2.000H2(PO4)- = Pu(HPO4)2- - log_k -5.460 #Estimated by correlation with An(III) in function of ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.46E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+3 + 1.000NO3- = Pu(NO3)+2 - log_k 1.330 #95SIL/BID, LogK selected in analogy to Am (NEA recommendation 95SIL/BID) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.33E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+4 + 1.000NO3- = Pu(NO3)+3 - log_k 1.950 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.95E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+3 + 1.000Nta-3 = Pu(Nta) - log_k 13.100 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.31E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+4 + 1.000Nta-3 = Pu(Nta)+ - log_k 21.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.1E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+3 - 1.000H+ + 1.000H2O = Pu(OH)+2 - log_k -6.900 #01LEM/FUG - delta_h 78.274 #kJ/mol - # Enthalpy of formation: -799.346 #kJ/mol - -analytic 6.813E+0 0E+0 -4.08853E+3 0E+0 0E+0 - -1.000Pu+4 - 1.000H+ + 1.000H2O = Pu(OH)+3 - log_k 0.600 #99NEC, 01NEC/KIM, 03GUI/FAN - delta_h 36.000 #kJ/mol #01LEM/FUG - # Enthalpy of formation: -789.725 #kJ/mol - -analytic 6.90692E+0 0E+0 -1.88041E+3 0E+0 0E+0 - -1.000Pu+3 - 2.000H+ + 2.000H2O = Pu(OH)2+ - log_k -15.900 #80ALL/KIP - delta_h 150.342 #kJ/mol - # Enthalpy of formation: -1013.108 #kJ/mol - -analytic 1.04387E+1 0E+0 -7.8529E+3 0E+0 0E+0 - -1.000Pu+4 - 2.000H+ + 2.000H2O = Pu(OH)2+2 - log_k 0.600 #99NEC, 01NEC/KIM, 03GUI/FAN - delta_h 49.569 #kJ/mol - # Enthalpy of formation: -1061.986 #kJ/mol - -analytic 9.2841E+0 0E+0 -2.58917E+3 0E+0 0E+0 - -1.000Pu+3 - 3.000H+ + 3.000H2O = Pu(OH)3 - log_k -25.300 #80ALL/KIP - delta_h 227.540 #kJ/mol - # Enthalpy of formation: -1221.74 #kJ/mol - -analytic 1.45632E+1 0E+0 -1.18852E+4 0E+0 0E+0 - -1.000Pu+4 - 3.000H+ + 1.000HGlu- + 3.000H2O = Pu(OH)3(HGlu) - log_k 4.750 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.75E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+4 - 3.000H+ + 1.000HIsa- + 3.000H2O = Pu(OH)3(HIsa) - log_k 4.750 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.75E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+4 - 3.000H+ + 2.000HIsa- + 3.000H2O = Pu(OH)3(HIsa)2- - log_k 6.860 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.86E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+4 - 3.000H+ + 3.000H2O = Pu(OH)3+ - log_k -2.300 #99NEC, 01NEC/KIM, 03GUI/FAN - delta_h 68.543 #kJ/mol - # Enthalpy of formation: -1328.842 #kJ/mol - -analytic 9.7082E+0 0E+0 -3.58024E+3 0E+0 0E+0 - -1.000Pu+4 - 4.000H+ + 4.000H2O = Pu(OH)4 - log_k -8.500 #03GUI/FAN - delta_h 99.049 #kJ/mol - # Enthalpy of formation: -1584.166 #kJ/mol - -analytic 8.85261E+0 0E+0 -5.17368E+3 0E+0 0E+0 - -1.000Pu+4 - 4.000H+ + 1.000HGlu- + 4.000H2O = Pu(OH)4(HGlu)- - log_k -2.700 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.7E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+4 - 4.000H+ + 1.000HIsa- + 4.000H2O = Pu(OH)4(HIsa)- - log_k -3.600 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.6E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+4 - 4.000H+ + 2.000HIsa- + 4.000H2O = Pu(OH)4(HIsa)2-2 - log_k 0.700 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+4 + 1.000Ox-2 = Pu(Ox)+2 - log_k 11.400 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.14E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+4 + 2.000Ox-2 = Pu(Ox)2 - log_k 20.600 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.06E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+3 + 2.000Ox-2 = Pu(Ox)2- - log_k 10.620 #12GRI/GAR2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.062E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+4 + 3.000Ox-2 = Pu(Ox)3-2 - log_k 25.690 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.569E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+3 + 3.000Ox-2 = Pu(Ox)3-3 - log_k 13.220 #12GRI/GAR2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.322E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+3 - 4.000H+ + 2.000H2(PO4)- = Pu(PO4)2-3 - log_k -19.730 #Estimated by correlation with An(III) in function of ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.973E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+3 + 1.000SO4-2 = Pu(SO4)+ - log_k 3.910 #01LEM/FUG - delta_h 17.240 #kJ/mol #01LEM/FUG - # Enthalpy of formation: -1483.89 #kJ/mol - -analytic 6.93031E+0 0E+0 -9.00507E+2 0E+0 0E+0 - -1.000Pu+4 + 1.000SO4-2 = Pu(SO4)+2 - log_k 6.890 #01LEM/FUG - delta_h 13.753 #kJ/mol - # Enthalpy of formation: -1435.482 #kJ/mol - -analytic 9.29942E+0 0E+0 -7.18368E+2 0E+0 0E+0 - -1.000Pu+4 + 2.000SO4-2 = Pu(SO4)2 - log_k 11.140 #01LEM/FUG - delta_h 43.906 #kJ/mol - # Enthalpy of formation: -2314.669 #kJ/mol - -analytic 1.8832E+1 0E+0 -2.29337E+3 0E+0 0E+0 - -1.000Pu+3 + 2.000SO4-2 = Pu(SO4)2- - log_k 5.700 #01LEM/FUG - delta_h 11.880 #kJ/mol #01LEM/FUG - # Enthalpy of formation: -2398.59 #kJ/mol - -analytic 7.78128E+0 0E+0 -6.20535E+2 0E+0 0E+0 - -1.000Pu+4 + 1.000Br- = PuBr+3 - log_k 1.600 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.6E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+4 + 1.000Cl- = PuCl+3 - log_k 1.800 #01LEM/FUG - delta_h 19.820 #kJ/mol - # Enthalpy of formation: -687.155 #kJ/mol - -analytic 5.27231E+0 0E+0 -1.03527E+3 0E+0 0E+0 - -1.000Pu+4 + 1.000F- = PuF+3 - log_k 8.840 #01LEM/FUG - delta_h 9.100 #kJ/mol #01LEM/FUG - # Enthalpy of formation: -866.145 #kJ/mol - -analytic 1.04342E+1 0E+0 -4.75325E+2 0E+0 0E+0 - -1.000Pu+4 + 2.000F- = PuF2+2 - log_k 15.700 #01LEM/FUG - delta_h 11.000 #kJ/mol #01LEM/FUG - # Enthalpy of formation: -1199.595 #kJ/mol - -analytic 1.76271E+1 0E+0 -5.74569E+2 0E+0 0E+0 - -1.000Pu+4 + 3.000F- = PuF3+ - log_k 20.110 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.011E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+4 + 1.000H+ + 1.000H2(PO4)- = PuH3PO4+4 - log_k 4.540 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.54E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+3 + 1.000I- = PuI+2 - log_k 1.100 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.1E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+4 + 1.000I- = PuI+3 - log_k 1.620 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.62E+0 0E+0 0E+0 0E+0 0E+0 - -1.000PuO2+2 + 1.000Acetate- = PuO2(Acetate)+ - log_k 2.870 #11RIC/GRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.87E+0 0E+0 0E+0 0E+0 0E+0 - -1.000PuO2+2 + 2.000Acetate- = PuO2(Acetate)2 - log_k 4.770 #11RIC/GRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.77E+0 0E+0 0E+0 0E+0 0E+0 - -1.000PuO2+2 + 3.000Acetate- = PuO2(Acetate)3- - log_k 6.190 #11RIC/GRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.19E+0 0E+0 0E+0 0E+0 0E+0 - -1.000PuO2+2 + 1.000CO3-2 = PuO2(CO3) - log_k 9.500 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.5E+0 0E+0 0E+0 0E+0 0E+0 - -1.000PuO2+2 + 2.000CO3-2 = PuO2(CO3)2-2 - log_k 14.700 #03GUI/FAN - delta_h -27.000 #kJ/mol #03GUI/FAN - # Enthalpy of formation: -2199.496 #kJ/mol - -analytic 9.96981E+0 0E+0 1.41031E+3 0E+0 0E+0 - -1.000PuO2+2 + 3.000CO3-2 = PuO2(CO3)3-4 - log_k 18.000 #03GUI/FAN - delta_h -38.600 #kJ/mol #03GUI/FAN - # Enthalpy of formation: -2886.326 #kJ/mol - -analytic 1.12376E+1 0E+0 2.01622E+3 0E+0 0E+0 - -1.000PuO2+ + 3.000CO3-2 = PuO2(CO3)3-5 - log_k 5.030 - delta_h -19.110 #kJ/mol #01LEM/FUG - # Enthalpy of formation: -2954.927 #kJ/mol - -analytic 1.68208E+0 0E+0 9.98183E+2 0E+0 0E+0 - -2.000UO2+2 + 1.000PuO2+2 + 6.000CO3-2 = PuO2(CO3)6(UO2)2-6 - log_k 53.480 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.348E+1 0E+0 0E+0 0E+0 0E+0 - -1.000PuO2+ - 1.000H+ + 1.000H2(PO4)- = PuO2(HPO4)- - log_k -4.860 #NEA Guidelines in 01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.86E+0 0E+0 0E+0 0E+0 0E+0 - -1.000PuO2+2 + 1.000Nta-3 = PuO2(Nta)- - log_k 11.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.1E+1 0E+0 0E+0 0E+0 0E+0 - -1.000PuO2+ + 1.000Nta-3 = PuO2(Nta)-2 - log_k 7.500 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7.5E+0 0E+0 0E+0 0E+0 0E+0 - -1.000PuO2+2 - 1.000H+ + 1.000H2O = PuO2(OH)+ - log_k -5.500 #01LEM/FUG - delta_h 28.000 #kJ/mol #01LEM/FUG - # Enthalpy of formation: -1079.866 #kJ/mol - -analytic -5.94618E-1 0E+0 -1.46254E+3 0E+0 0E+0 - -1.000PuO2+2 - 2.000H+ + 2.000H2O = PuO2(OH)2 - log_k -13.200 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.32E+1 0E+0 0E+0 0E+0 0E+0 - -1.000PuO2+2 - 1.000H+ + 1.000H4(SiO4) = PuO2(OSi(OH)3)+ - log_k -3.640 #03YUS/FED - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.64E+0 0E+0 0E+0 0E+0 0E+0 - -1.000PuO2+2 + 1.000Ox-2 = PuO2(Ox) - log_k 7.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7E+0 0E+0 0E+0 0E+0 0E+0 - -1.000PuO2+2 + 2.000Ox-2 = PuO2(Ox)2-2 - log_k 10.500 #73POR/DEP in 95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.05E+1 0E+0 0E+0 0E+0 0E+0 - -1.000PuO2+2 + 1.000Phthalat-2 = PuO2(Phthalat) - log_k 5.760 #11GRI/COL3 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.76E+0 0E+0 0E+0 0E+0 0E+0 - -1.000PuO2+2 + 1.000SO4-2 = PuO2(SO4) - log_k 3.380 #01LEM/FUG - delta_h 16.100 #kJ/mol #01LEM/FUG - # Enthalpy of formation: -1715.276 #kJ/mol - -analytic 6.20059E+0 0E+0 -8.4096E+2 0E+0 0E+0 - -1.000PuO2+ + 1.000SO4-2 = PuO2(SO4)- - log_k 0.440 #Duro et al. (2006), In analogy to NpO2(SO4)- - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.4E-1 0E+0 0E+0 0E+0 0E+0 - -1.000PuO2+2 + 2.000SO4-2 = PuO2(SO4)2-2 - log_k 4.400 #01LEM/FUG - delta_h 43.000 #kJ/mol #01LEM/FUG - # Enthalpy of formation: -2597.716 #kJ/mol - -analytic 1.19333E+1 0E+0 -2.24604E+3 0E+0 0E+0 - -1.000PuO2+ + 1.000CO3-2 = PuO2CO3- - log_k 5.120 #01LEM/FUG - delta_h 44.874 #kJ/mol - # Enthalpy of formation: -1540.483 #kJ/mol - -analytic 1.29816E+1 0E+0 -2.34393E+3 0E+0 0E+0 - -1.000PuO2+2 + 1.000Cl- = PuO2Cl+ - log_k 0.230 #03GUI/FAN - delta_h 4.187 #kJ/mol - # Enthalpy of formation: -984.929 #kJ/mol - -analytic 9.6353E-1 0E+0 -2.18702E+2 0E+0 0E+0 - -1.000PuO2+2 + 2.000Cl- = PuO2Cl2 - log_k -1.150 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.15E+0 0E+0 0E+0 0E+0 0E+0 - -1.000PuO2+ + 1.000F- = PuO2F - log_k 1.200 #In analogy to NpO2)F - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.2E+0 0E+0 0E+0 0E+0 0E+0 - -1.000PuO2+2 + 1.000F- = PuO2F+ - log_k 4.560 #01LEM/FUG - delta_h -3.653 #kJ/mol - # Enthalpy of formation: -1161.039 #kJ/mol - -analytic 3.92002E+0 0E+0 1.90809E+2 0E+0 0E+0 - -1.000PuO2+2 + 2.000F- = PuO2F2 - log_k 7.250 #01LEM/FUG - delta_h 1.208 #kJ/mol - # Enthalpy of formation: -1491.528 #kJ/mol - -analytic 7.46163E+0 0E+0 -6.30981E+1 0E+0 0E+0 - -1.000PuO2+2 + 3.000F- = PuO2F3- - log_k 9.590 #85SAW/CHA - delta_h 2.401 #kJ/mol - # Enthalpy of formation: -1825.685 #kJ/mol - -analytic 1.00106E+1 0E+0 -1.25413E+2 0E+0 0E+0 - -1.000PuO2+2 + 1.000NO3- = PuO2NO3+ - log_k 0.100 #12GRI/GAR1 (LogK selected in analogy to U (NEA recommendation), logK(UO2NO3 +)) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1E-1 0E+0 0E+0 0E+0 0E+0 - -1.000PuO2+ - 1.000H+ + 1.000H2O = PuO2OH - log_k -11.300 #01LEM/FUG - delta_h 71.826 #kJ/mol - # Enthalpy of formation: -1124.131 #kJ/mol - -analytic 1.28336E+0 0E+0 -3.75173E+3 0E+0 0E+0 - -1.000Pu+3 + 1.000Ox-2 = PuOx+ - log_k 6.490 #12GRI/GAR2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.49E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+3 - 2.000H+ + 1.000H2(PO4)- = PuPO4 - log_k -7.920 #Estimated by correlation with An(III) in function of ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -7.92E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ra+2 + 1.000CO3-2 = Ra(CO3) - log_k 2.500 #99SCH - delta_h 4.496 #kJ/mol - # Enthalpy of formation: -1198.76 #kJ/mol - -analytic 3.28766E+0 0E+0 -2.34842E+2 0E+0 0E+0 - -1.000H+ + 1.000Ra+2 + 1.000CO3-2 = Ra(HCO3)+ - log_k 10.920 #02ILE/TWE - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.092E+1 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000Ra+2 + 1.000H2O = Ra(OH)+ - log_k -13.490 - delta_h 60.417 #kJ/mol #85LAN/RIE - # Enthalpy of formation: -753.438 #kJ/mol - -analytic -2.90541E+0 0E+0 -3.1558E+3 0E+0 0E+0 - -- 2.000H+ + 1.000Ra+2 + 2.000H2O = Ra(OH)2 - log_k -28.070 - delta_h 112.197 #kJ/mol - # Enthalpy of formation: -987.488 #kJ/mol - -analytic -8.41396E+0 0E+0 -5.86045E+3 0E+0 0E+0 - -1.000Ra+2 + 1.000SO4-2 = Ra(SO4) - log_k 2.760 - delta_h 5.481 #kJ/mol - # Enthalpy of formation: -1431.884 #kJ/mol - -analytic 3.72023E+0 0E+0 -2.86292E+2 0E+0 0E+0 - -1.000Ra+2 + 1.000Cl- = RaCl+ - log_k -0.100 #85LAN/RIE - delta_h 2.479 #kJ/mol - # Enthalpy of formation: -692.626 #kJ/mol - -analytic 3.34302E-1 0E+0 -1.29487E+2 0E+0 0E+0 - -1.000Ra+2 + 2.000Cl- = RaCl2 - log_k -0.100 - delta_h 0.496 #kJ/mol - # Enthalpy of formation: -861.689 #kJ/mol - -analytic -1.31047E-2 0E+0 -2.59078E+1 0E+0 0E+0 - -1.000Ra+2 + 1.000F- = RaF+ - log_k 0.480 #87BRO/WAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.8E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Br- + 1.000Rb+ = RbBr - log_k -1.240 - delta_h 13.836 #kJ/mol - # Enthalpy of formation: -358.694 #kJ/mol #97SVE/SHO - -analytic 1.18396E+0 0E+0 -7.22704E+2 0E+0 0E+0 - -1.000Cl- + 1.000Rb+ = RbCl - log_k -1.010 - delta_h 13.189 #kJ/mol - # Enthalpy of formation: -405.011 #kJ/mol #97SVE/SHO - -analytic 1.30061E+0 0E+0 -6.88908E+2 0E+0 0E+0 - -1.000F- + 1.000Rb+ = RbF - log_k 0.940 - delta_h 1.923 #kJ/mol - # Enthalpy of formation: -584.547 #kJ/mol #97SVE/SHO - -analytic 1.27689E+0 0E+0 -1.00445E+2 0E+0 0E+0 - -1.000I- + 1.000Rb+ = RbI - log_k -0.840 - delta_h 6.987 #kJ/mol - # Enthalpy of formation: -300.913 #kJ/mol #97SVE/SHO - -analytic 3.84068E-1 0E+0 -3.64956E+2 0E+0 0E+0 - -- 1.000H+ + 1.000Rb+ + 1.000H2O = RbOH - log_k -14.260 - delta_h 64.158 #kJ/mol - # Enthalpy of formation: -472.792 #kJ/mol #97SHO/SAS2 - -analytic -3.02002E+0 0E+0 -3.3512E+3 0E+0 0E+0 - -- 1.000H+ + 1.000HS- = S-2 - log_k -17.100 #04CHI - delta_h 73.278 #kJ/mol - # Enthalpy of formation: 56.978 #kJ/mol - -analytic -4.26226E+0 0E+0 -3.82757E+3 0E+0 0E+0 - -2.000HS- - 1.000H2O + 0.500O2 = S2-2 - log_k 32.450 - delta_h -212.123 #kJ/mol - # Enthalpy of formation: 35.04 #kJ/mol #04CHI - -analytic -4.7123E+0 0E+0 1.10799E+4 0E+0 0E+0 - -2.000H+ + 2.000SO3-2 - 1.000H2O = S2O5-2 - log_k 12.850 #85GOL/PAR - delta_h 2.606 #kJ/mol - # Enthalpy of formation: -973.684 #kJ/mol - -analytic 1.33066E+1 0E+0 -1.36121E+2 0E+0 0E+0 - -2.000SO4-2 - 1.000H2O + 2.000H+ + 0.500O2 = S2O8-2 - log_k -22.390 - delta_h 194.217 #kJ/mol - # Enthalpy of formation: -1344.7 #kJ/mol #82WAG/EVA - -analytic 1.16353E+1 0E+0 -1.01446E+4 0E+0 0E+0 - -1.000H+ + 3.000HS- - 2.000H2O + 1.000O2 = S3-2 - log_k 79.470 - delta_h -484.686 #kJ/mol - # Enthalpy of formation: 25.94 #kJ/mol #74NAU/RYZ - -analytic -5.44322E+0 0E+0 2.53169E+4 0E+0 0E+0 - -4.000H+ + 3.000SO3-2 - 2.000H2O - 0.500O2 = S3O6-2 - log_k -6.170 - delta_h 148.117 #kJ/mol - # Enthalpy of formation: -1167.336 #kJ/mol #04CHI - -analytic 1.97789E+1 0E+0 -7.73668E+3 0E+0 0E+0 - -2.000H+ + 4.000HS- - 3.000H2O + 1.500O2 = S4-2 - log_k 125.390 - delta_h -751.079 #kJ/mol - # Enthalpy of formation: 23.01 #kJ/mol #74NAU/RYZ - -analytic -6.1932E+0 0E+0 3.92315E+4 0E+0 0E+0 - -6.000H+ + 4.000SO3-2 - 3.000H2O - 1.500O2 = S4O6-2 - log_k -38.170 - delta_h 424.311 #kJ/mol - # Enthalpy of formation: -1224.238 #kJ/mol #04CHI - -analytic 3.6166E+1 0E+0 -2.21633E+4 0E+0 0E+0 - -3.000H+ + 5.000HS- - 4.000H2O + 2.000O2 = S5-2 - log_k 171.090 - delta_h -1016.212 #kJ/mol - # Enthalpy of formation: 21.34 #kJ/mol #74NAU/RYZ - -analytic -6.94244E+0 0E+0 5.30804E+4 0E+0 0E+0 - -8.000H+ + 5.000SO3-2 - 4.000H2O - 2.500O2 = S5O6-2 - log_k -99.570 - delta_h 805.941 #kJ/mol - # Enthalpy of formation: -1175.704 #kJ/mol #04CHI - -analytic 4.16246E+1 0E+0 -4.20972E+4 0E+0 0E+0 - -2.000H+ + 1.000SO3-2 - 1.000H2O = SO2 - log_k 9.030 - delta_h 21.450 #kJ/mol - # Enthalpy of formation: -323.78 #kJ/mol #85GOL/PAR - -analytic 1.27879E+1 0E+0 -1.12041E+3 0E+0 0E+0 - -2.000H+ + 1.000Sb(OH)3 - 2.000H2O = Sb(OH)+2 - log_k 0.740 #99LOT/OCH - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7.4E-1 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000Sb(OH)3 - 1.000H2O = Sb(OH)2+ - log_k 1.330 #77ANT/NEV and others recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.33E+0 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000Sb(OH)5 - 1.000H2O = Sb(OH)4+ - log_k -3.260 #57PIT/POU in 99LOT/OCH - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.26E+0 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000Sb(OH)3 + 1.000H2O = Sb(OH)4- - log_k -11.820 #52GAY/GAR recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.182E+1 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000Sb(OH)5 + 1.000H2O = Sb(OH)6- - log_k -2.720 #63LEF/MAR in 76BAE/MES - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.72E+0 0E+0 0E+0 0E+0 0E+0 - -3.000H+ + 1.000Sb(OH)3 - 3.000H2O = Sb+3 - log_k -0.730 #99LOT/OCH - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -7.3E-1 0E+0 0E+0 0E+0 0E+0 - -- 4.000H+ + 12.000Sb(OH)5 + 4.000H2O = Sb12(OH)64-4 - log_k 20.340 #63LEF/MAR in 76BAE/MES - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.034E+1 0E+0 0E+0 0E+0 0E+0 - -- 5.000H+ + 12.000Sb(OH)5 + 5.000H2O = Sb12(OH)65-5 - log_k 16.720 #63LEF/MAR in 76BAE/MES - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.672E+1 0E+0 0E+0 0E+0 0E+0 - -- 6.000H+ + 12.000Sb(OH)5 + 6.000H2O = Sb12(OH)66-6 - log_k 11.890 #63LEF/MAR in 76BAE/MES - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.189E+1 0E+0 0E+0 0E+0 0E+0 - -- 7.000H+ + 12.000Sb(OH)5 + 7.000H2O = Sb12(OH)67-7 - log_k 6.070 #63LEF/MAR in 76BAE/MES - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.07E+0 0E+0 0E+0 0E+0 0E+0 - -4.000H+ + 4.000HS- + 2.000Sb(OH)3 - 6.000H2O = Sb2H2S4 - log_k 57.810 #88KRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.781E+1 0E+0 0E+0 0E+0 0E+0 - -3.000H+ + 4.000HS- + 2.000Sb(OH)3 - 6.000H2O = Sb2HS4- - log_k 52.900 #88KRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.29E+1 0E+0 0E+0 0E+0 0E+0 - -2.000H+ + 4.000HS- + 2.000Sb(OH)3 - 6.000H2O = Sb2S4-2 - log_k 43.380 #88KRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.338E+1 0E+0 0E+0 0E+0 0E+0 - -3.000H+ + 1.000Cl- + 1.000Sb(OH)3 - 3.000H2O = SbCl+2 - log_k 2.800 #70BON/WAU and others recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.8E+0 0E+0 0E+0 0E+0 0E+0 - -3.000H+ + 2.000Cl- + 1.000Sb(OH)3 - 3.000H2O = SbCl2+ - log_k 3.270 #70BON/WAU and others recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.27E+0 0E+0 0E+0 0E+0 0E+0 - -3.000H+ + 1.000F- + 1.000Sb(OH)3 - 3.000H2O = SbF+2 - log_k 6.370 #70BON recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.37E+0 0E+0 0E+0 0E+0 0E+0 - -3.000H+ + 2.000F- + 1.000Sb(OH)3 - 3.000H2O = SbF2+ - log_k 12.420 #70BON recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.242E+1 0E+0 0E+0 0E+0 0E+0 - -3.000H+ + 3.000F- + 1.000Sb(OH)3 - 3.000H2O = SbF3 - log_k 18.200 #70BON recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.82E+1 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000HSe- = Se-2 - log_k -14.910 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.491E+1 0E+0 0E+0 0E+0 0E+0 - -2.000HSe- - 1.000H2O + 0.500O2 = Se2-2 - log_k 38.490 #05OLI/NOL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.849E+1 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 3.000HSe- - 2.000H2O + 1.000O2 = Se3-2 - log_k 91.220 #05OLI/NOL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.122E+1 0E+0 0E+0 0E+0 0E+0 - -2.000H+ + 4.000HSe- - 3.000H2O + 1.500O2 = Se4-2 - log_k 142.350 #05OLI/NOL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.4235E+2 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000Cn- + 1.000HSe- - 1.000H2O + 0.500O2 = SeCn- - log_k 56.020 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.602E+1 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 2.000H4(SiO4) - 1.000H2O = Si2O2(OH)5- - log_k -8.500 #01FEL/CHO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -8.5E+0 0E+0 0E+0 0E+0 0E+0 - -- 2.000H+ + 2.000H4(SiO4) - 1.000H2O = Si2O3(OH)4-2 - log_k -19.400 #01FEL/CHO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.94E+1 0E+0 0E+0 0E+0 0E+0 - -- 3.000H+ + 3.000H4(SiO4) - 2.000H2O = Si3O5(OH)5-3 - log_k -29.400 #01FEL/CHO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.94E+1 0E+0 0E+0 0E+0 0E+0 - -- 3.000H+ + 3.000H4(SiO4) - 3.000H2O = Si3O6(OH)3-3 - log_k -29.300 #01FEL/CHO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.93E+1 0E+0 0E+0 0E+0 0E+0 - -- 2.000H+ + 4.000H4(SiO4) - 4.000H2O = Si4O6(OH)6-2 - log_k -15.600 #01FEL/CHO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.56E+1 0E+0 0E+0 0E+0 0E+0 - -- 4.000H+ + 4.000H4(SiO4) - 3.000H2O = Si4O7(OH)6-4 - log_k -39.100 #01FEL/CHO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.91E+1 0E+0 0E+0 0E+0 0E+0 - -- 4.000H+ + 4.000H4(SiO4) - 4.000H2O = Si4O8(OH)4-4 - log_k -39.200 #01FEL/CHO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.92E+1 0E+0 0E+0 0E+0 0E+0 - -- 6.000H+ + 6.000H4(SiO4) - 9.000H2O = Si6O15-6 - log_k -61.800 #01FEL/CHO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.18E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Sm+3 + 1.000CO3-2 = Sm(CO3)+ - log_k 7.800 #95SPA/BRU - delta_h 163.392 #kJ/mol - # Enthalpy of formation: -1203.037 #kJ/mol - -analytic 3.6425E+1 0E+0 -8.53455E+3 0E+0 0E+0 - -1.000Sm+3 + 2.000CO3-2 = Sm(CO3)2- - log_k 12.800 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.28E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Sm+3 + 3.000CO3-2 = Sm(CO3)3-3 - log_k 14.800 #05VER/VIT2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.48E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Sm+3 + 1.000H2(PO4)- = Sm(H2PO4)+2 - log_k 2.350 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.35E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sm+3 + 1.000H+ + 1.000CO3-2 = Sm(HCO3)+2 - log_k 12.430 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.243E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Sm+3 - 1.000H+ + 1.000H2(PO4)- = Sm(HPO4)+ - log_k -1.610 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.61E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sm+3 - 2.000H+ + 2.000H2(PO4)- = Sm(HPO4)2- - log_k -5.020 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.02E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sm+3 + 1.000NO3- = Sm(NO3)+2 - log_k 0.900 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Sm+3 - 1.000H+ + 1.000H2O = Sm(OH)+2 - log_k -7.900 #95SPA/BRU - delta_h 81.304 #kJ/mol - # Enthalpy of formation: -895.725 #kJ/mol - -analytic 6.34383E+0 0E+0 -4.2468E+3 0E+0 0E+0 - -1.000Sm+3 - 2.000H+ + 2.000H2O = Sm(OH)2+ - log_k -15.700 #07NEC/ALT2 - delta_h 145.698 #kJ/mol - # Enthalpy of formation: -1117.161 #kJ/mol - -analytic 9.82516E+0 0E+0 -7.61033E+3 0E+0 0E+0 - -1.000Sm+3 - 3.000H+ + 3.000H2O = Sm(OH)3 - log_k -26.200 #07NEC/ALT2 - delta_h 228.395 #kJ/mol - # Enthalpy of formation: -1320.294 #kJ/mol - -analytic 1.3813E+1 0E+0 -1.19299E+4 0E+0 0E+0 - -1.000Sm+3 - 4.000H+ + 4.000H2O = Sm(OH)4- - log_k -40.700 #07NEC/ALT2 - delta_h 298.594 #kJ/mol - # Enthalpy of formation: -1535.925 #kJ/mol - -analytic 1.16113E+1 0E+0 -1.55966E+4 0E+0 0E+0 - -1.000Sm+3 - 2.000H+ + 1.000H2(PO4)- = Sm(PO4) - log_k -7.460 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -7.46E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sm+3 - 4.000H+ + 2.000H2(PO4)- = Sm(PO4)2-3 - log_k -18.720 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.872E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Sm+3 + 1.000SO4-2 = Sm(SO4)+ - log_k 3.500 #95SPA/BRU - delta_h 16.575 #kJ/mol - # Enthalpy of formation: -1583.964 #kJ/mol - -analytic 6.40381E+0 0E+0 -8.65771E+2 0E+0 0E+0 - -1.000Sm+3 + 2.000SO4-2 = Sm(SO4)2- - log_k 5.200 #95SPA/BRU - delta_h 24.910 #kJ/mol - # Enthalpy of formation: -2484.969 #kJ/mol - -analytic 9.56404E+0 0E+0 -1.30114E+3 0E+0 0E+0 - -1.000Sm+3 + 1.000Br- = SmBr+2 - log_k 0.230 #96FAL/REA - delta_h 17.023 #kJ/mol - # Enthalpy of formation: -795.586 #kJ/mol - -analytic 3.2123E+0 0E+0 -8.89172E+2 0E+0 0E+0 - -1.000Sm+3 + 1.000Cl- = SmCl+2 - log_k 0.720 #Original data 01LUO/BYR and 07LUO/BYR - delta_h 22.277 #kJ/mol - # Enthalpy of formation: -836.002 #kJ/mol - -analytic 4.62276E+0 0E+0 -1.16361E+3 0E+0 0E+0 - -1.000Sm+3 + 1.000F- = SmF+2 - log_k 4.210 #07LUO/BYR - delta_h 24.180 #kJ/mol - # Enthalpy of formation: -1002.369 #kJ/mol - -analytic 8.44615E+0 0E+0 -1.26301E+3 0E+0 0E+0 - -1.000Sm+3 + 2.000F- = SmF2+ - log_k 6.430 #Original data 99SCH/BYR and 04LUO/BYR - delta_h 18.850 #kJ/mol - # Enthalpy of formation: -1343.049 #kJ/mol - -analytic 9.73237E+0 0E+0 -9.84603E+2 0E+0 0E+0 - -1.000Sm+3 - 1.000H+ + 1.000H4(SiO4) = SmSiO(OH)3+2 - log_k -2.620 #Orginal data 07THA/SIN and 96JEN/CHO1 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.62E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 + 1.000Cit-3 = Sn(Cit)- - log_k 8.700 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.7E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 + 2.000Cit-3 = Sn(Cit)2-4 - log_k 11.900 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.19E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 + 1.000Edta-4 = Sn(Edta)-2 - log_k 24.600 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.46E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 + 2.000H+ + 1.000Edta-4 = Sn(H2Edta) - log_k 24.300 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.43E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 + 1.000H+ + 1.000Edta-4 = Sn(HEdta)- - log_k 23.400 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.34E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 + 1.000Nta-3 = Sn(Nta)- - log_k 13.400 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.34E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 - 1.000H+ + 1.000H2O = Sn(OH)+ - log_k -3.530 #12GAM/GAJ - delta_h 18.612 #kJ/mol - # Enthalpy of formation: -276.835 #kJ/mol - -analytic -2.69322E-1 0E+0 -9.72171E+2 0E+0 0E+0 - -1.000Sn+2 - 2.000H+ + 2.000H2O = Sn(OH)2 - log_k -7.680 #12GAM/GAJ - delta_h 40.762 #kJ/mol - # Enthalpy of formation: -540.515 #kJ/mol - -analytic -5.38815E-1 0E+0 -2.12914E+3 0E+0 0E+0 - -1.000Sn+2 - 3.000H+ + 3.000H2O = Sn(OH)3- - log_k -61.190 #13COL/GRI - delta_h 344.633 #kJ/mol - # Enthalpy of formation: -522.474 #kJ/mol - -analytic -8.12979E-1 0E+0 -1.80014E+4 0E+0 0E+0 - -1.000Sn+4 - 4.000H+ + 4.000H2O = Sn(OH)4 - log_k 7.540 - delta_h -49.215 #kJ/mol - # Enthalpy of formation: -1224.035 #kJ/mol - -analytic -1.08209E+0 0E+0 2.57067E+3 0E+0 0E+0 - -1.000Sn+4 - 5.000H+ + 5.000H2O = Sn(OH)5- - log_k -1.060 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.06E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+4 - 6.000H+ + 6.000H2O = Sn(OH)6-2 - log_k -11.130 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.113E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 - 1.000H+ + 1.000Cl- + 1.000H2O = Sn(OH)Cl - log_k -3.100 #52VAN/RHO recalculated in 02HUM/BER - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.1E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 + 1.000Ox-2 = Sn(Ox) - log_k 6.500 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.5E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 + 2.000Ox-2 = Sn(Ox)2-2 - log_k 12.900 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.29E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 + 3.000Ox-2 = Sn(Ox)3-4 - log_k 17.100 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.71E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 + 1.000SO4-2 = Sn(SO4) - log_k 3.430 #12GAM/GAJ - delta_h 16.900 #kJ/mol #Suggested but not selected in 12GAM/GAJ - # Enthalpy of formation: -902.057 #kJ/mol - -analytic 6.39075E+0 0E+0 -8.82747E+2 0E+0 0E+0 - -3.000Sn+2 - 4.000H+ + 4.000H2O = Sn3(OH)4+2 - log_k -5.600 #12GAM/GAJ - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.6E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 + 1.000Br- = SnBr+ - log_k 1.330 #12GAM/GAJ - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.33E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 + 2.000Br- = SnBr2 - log_k 1.970 #12GAM/GAJ - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.97E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 + 3.000Br- = SnBr3- - log_k 1.930 #12GAM/GAJ - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.93E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 + 1.000Cl- = SnCl+ - log_k 1.520 #12GAM/GAJ - delta_h 12.700 #kJ/mol #12GAM/GAJ - # Enthalpy of formation: -163.997 #kJ/mol - -analytic 3.74494E+0 0E+0 -6.63366E+2 0E+0 0E+0 - -1.000Sn+2 + 2.000Cl- = SnCl2 - log_k 2.170 #12GAM/GAJ - delta_h 19.700 #kJ/mol #12GAM/GAJ - # Enthalpy of formation: -324.077 #kJ/mol - -analytic 5.62129E+0 0E+0 -1.029E+3 0E+0 0E+0 - -1.000Sn+2 + 3.000Cl- = SnCl3- - log_k 2.130 #12GAM/GAJ - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.13E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 + 4.000Cl- = SnCl4-2 - log_k 2.030 #12GAM/GAJ - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.03E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 + 1.000F- = SnF+ - log_k 5.250 #12GAM/GAJ - delta_h -9.579 #kJ/mol - # Enthalpy of formation: -354.546 #kJ/mol - -analytic 3.57183E+0 0E+0 5.00345E+2 0E+0 0E+0 - -1.000Sn+2 + 2.000F- = SnF2 - log_k 8.890 #12GAM/GAJ - delta_h -9.968 #kJ/mol - # Enthalpy of formation: -690.285 #kJ/mol - -analytic 7.14368E+0 0E+0 5.20664E+2 0E+0 0E+0 - -1.000Sn+2 + 3.000F- = SnF3- - log_k 11.500 #12GAM/GAJ - delta_h -4.478 #kJ/mol - # Enthalpy of formation: -1020.145 #kJ/mol - -analytic 1.07155E+1 0E+0 2.33902E+2 0E+0 0E+0 - -1.000Sn+2 - 1.000H+ + 1.000H2(PO4)- = SnHPO4 - log_k 2.290 #00CIA/IUL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.29E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 + 1.000I- = SnI+ - log_k 1.740 #68HAI/JOH1 recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.74E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 + 2.000I- = SnI2 - log_k 2.690 #68HAI/JOH1 recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.69E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 - 2.000H+ + 1.000H2(PO4)- = SnPO4- - log_k -1.560 #00CIA/IUL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.56E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 1.000CO3-2 = Sr(CO3) - log_k 2.810 #84BUS/PLU - delta_h 21.824 #kJ/mol - # Enthalpy of formation: -1204.306 #kJ/mol - -analytic 6.6334E+0 0E+0 -1.13995E+3 0E+0 0E+0 - -1.000Sr+2 + 1.000Cit-3 = Sr(Cit)- - log_k 4.240 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.24E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 - 1.000H+ + 2.000Cit-3 + 1.000H2O = Sr(Cit)2(OH)-5 - log_k -1.780 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.78E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 2.000Cit-3 = Sr(Cit)2-4 - log_k 4.840 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.84E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 1.000Cn- = Sr(Cn)+ - log_k 0.710 #estimation NEA87 08/02/95 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7.1E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 2.000Cn- = Sr(Cn)2 - log_k 0.200 #estimation NEA87 08/02/95 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 1.000Edta-4 = Sr(Edta)-2 - log_k 10.300 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.03E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 2.000H+ + 1.000Cit-3 = Sr(H2Cit)+ - log_k 12.460 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.246E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 1.000H2(PO4)- = Sr(H2PO4)+ - log_k 0.830 #97MAR/SMI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.3E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 1.000H+ + 1.000CO3-2 = Sr(HCO3)+ - log_k 11.510 #84BUS/PLUS - delta_h 10.598 #kJ/mol - # Enthalpy of formation: -1215.533 #kJ/mol - -analytic 1.33667E+1 0E+0 -5.53571E+2 0E+0 0E+0 - -1.000Sr+2 + 1.000H+ + 1.000Cit-3 = Sr(HCit) - log_k 9.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 1.000H+ + 1.000Edta-4 = Sr(HEdta)- - log_k 14.700 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.47E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 1.000H+ + 1.000Ox-2 = Sr(HOx)+ - log_k 5.800 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.8E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 2.000H+ + 2.000Ox-2 = Sr(HOx)2 - log_k 10.800 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.08E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 - 1.000H+ + 1.000H2(PO4)- = Sr(HPO4) - log_k -4.700 #97MAR/SMI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.7E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 1.000IO3- = Sr(IO3)+ - log_k 0.330 #estimation NEA87 01/02/95 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.3E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 2.000IO3- = Sr(IO3)2 - log_k -0.550 #estimation NEA87 01/02/95 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.5E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 1.000NH3 = Sr(NH3)+2 - log_k -0.550 #estimation NEA87 08/02/95 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.5E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 1.000NO3- = Sr(NO3)+ - log_k 0.600 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 2.000NO3- = Sr(NO3)2 - log_k 0.310 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.1E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 1.000Nta-3 = Sr(Nta)- - log_k 6.250 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.25E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 - 1.000H+ + 1.000H2O = Sr(OH)+ - log_k -13.290 #76BAE/MES - delta_h 82.609 #kJ/mol - # Enthalpy of formation: -754.12 #kJ/mol - -analytic 1.18245E+0 0E+0 -4.31496E+3 0E+0 0E+0 - -1.000Sr+2 + 1.000Ox-2 = Sr(Ox) - log_k 2.540 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.54E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 2.000Ox-2 = Sr(Ox)2-2 - log_k 3.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 - 2.000H+ + 1.000H2(PO4)- = Sr(PO4)- - log_k -13.560 #96BOU1 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.356E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 1.000Pyrophos-4 = Sr(Pyrophos)-2 - log_k 5.400 #76SMI/MAR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.4E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 1.000S2O3-2 = Sr(S2O3) - log_k 2.040 #76SMI/MAR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.04E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 1.000SO4-2 = Sr(SO4) - log_k 2.300 #06BLA/IGN - delta_h 7.029 #kJ/mol #06BLA/IGN - # Enthalpy of formation: -1453.211 #kJ/mol - -analytic 3.53143E+0 0E+0 -3.6715E+2 0E+0 0E+0 - -2.000Sr+2 - 1.000H+ + 1.000Cit-3 + 1.000H2O = Sr2(Cit)(OH) - log_k 0.380 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.8E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 1.000B(OH)4- = SrB(OH)4+ - log_k 1.550 #80BAS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.55E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 1.000Cl- = SrCl+ - log_k 0.230 #96BOU1 - delta_h 4.924 #kJ/mol - # Enthalpy of formation: -713.054 #kJ/mol - -analytic 1.09265E+0 0E+0 -2.57198E+2 0E+0 0E+0 - -1.000Sr+2 + 1.000F- = SrF+ - log_k 0.300 - delta_h 16.740 #kJ/mol - # Enthalpy of formation: -869.51 #kJ/mol - -analytic 3.23272E+0 0E+0 -8.7439E+2 0E+0 0E+0 - -1.000Sr+2 + 2.000F- = SrF2 - log_k 2.020 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.02E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 1.000I- = SrI+ - log_k 0.140 #estimation NEA87 01/02/95 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.4E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 2.000I- = SrI2 - log_k -0.040 #estimation NEA87 01/02/95 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4E-2 0E+0 0E+0 0E+0 0E+0 - -1.000TcO(OH)2 + 2.000H+ + 1.000CO3-2 - 1.000H2O = Tc(OH)2CO3 - log_k 19.260 #99RAR/RAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.926E+1 0E+0 0E+0 0E+0 0E+0 - -1.000TcO(OH)2 + 1.000H+ + 1.000CO3-2 = Tc(OH)3CO3- - log_k 10.960 #99RAR/RAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.096E+1 0E+0 0E+0 0E+0 0E+0 - -1.000TcO(OH)2 + 1.000H+ - 1.000H2O + 1.000Acetate- = TcO(OH)(Acetate) - log_k 5.550 #11RIC/GRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.55E+0 0E+0 0E+0 0E+0 0E+0 - -1.000TcO(OH)2 + 1.000H+ + 1.000Edta-4 - 1.000H2O = TcO(OH)(Edta)-3 - log_k 19.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.9E+1 0E+0 0E+0 0E+0 0E+0 - -1.000TcO(OH)2 + 1.000H+ + 1.000Nta-3 - 1.000H2O = TcO(OH)(Nta)-2 - log_k 13.300 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.33E+1 0E+0 0E+0 0E+0 0E+0 - -1.000TcO(OH)2 + 1.000H+ + 2.000Nta-3 - 1.000H2O = TcO(OH)(Nta)2-5 - log_k 11.700 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.17E+1 0E+0 0E+0 0E+0 0E+0 - -1.000TcO(OH)2 + 1.000H+ - 1.000H2O = TcO(OH)+ - log_k 2.790 - delta_h 4.020 #kJ/mol #97NGU/LAN - # Enthalpy of formation: -459.47 #kJ/mol - -analytic 3.49427E+0 0E+0 -2.09979E+2 0E+0 0E+0 - -1.000TcO(OH)2 + 2.000H+ + 1.000Ox-2 - 2.000H2O = TcO(Ox) - log_k 9.800 #06XIA/HES - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.8E+0 0E+0 0E+0 0E+0 0E+0 - -1.000TcO(OH)2 + 2.000H+ + 2.000Ox-2 - 2.000H2O = TcO(Ox)2-2 - log_k 13.660 #06XIA/HES - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.366E+1 0E+0 0E+0 0E+0 0E+0 - -1.000TcO(OH)2 + 2.000H+ - 2.000H2O = TcO+2 - log_k 2.580 #97NGU/LAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.58E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 1.000Acetate- = Th(Acetate)+3 - log_k 5.240 #11RIC/GRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.24E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 2.000Acetate- = Th(Acetate)2+2 - log_k 9.440 #11RIC/GRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.44E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 3.000Acetate- = Th(Acetate)3+ - log_k 12.560 #11RIC/GRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.256E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 4.000Acetate- = Th(Acetate)4 - log_k 14.380 #11RIC/GRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.438E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 5.000Acetate- = Th(Acetate)5- - log_k 15.370 #11RIC/GRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.537E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 5.000CO3-2 = Th(CO3)5-6 - log_k 31.000 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.1E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 1.000Cit-3 = Th(Cit)+ - log_k 16.800 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.68E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 2.000Cit-3 = Th(Cit)2-2 - log_k 25.800 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.58E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 1.000Edta-4 = Th(Edta) - log_k 26.950 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.695E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 1.000H2(PO4)- = Th(H2PO4)+3 - log_k 5.590 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.59E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 2.000H2(PO4)- = Th(H2PO4)2+2 - log_k 10.480 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.048E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 1.000H+ + 2.000H2(PO4)- = Th(H3PO4)(H2PO4)+3 - log_k 9.700 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.7E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 1.000H+ + 1.000H2(PO4)- = Th(H3PO4)+4 - log_k 4.030 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.03E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 1.000H+ + 1.000Edta-4 = Th(HEdta)+ - log_k 28.700 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.87E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 1.000H+ + 1.000Ox-2 = Th(HOx)+3 - log_k 11.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.1E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 2.000H+ + 2.000Ox-2 = Th(HOx)2+2 - log_k 18.130 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.813E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 4.000H+ + 4.000Ox-2 = Th(HOx)4 - log_k 24.300 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.43E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 1.000Malonate-2 = Th(Malonate)+2 - log_k 9.320 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.32E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 2.000Malonate-2 = Th(Malonate)2 - log_k 16.070 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.607E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 3.000Malonate-2 = Th(Malonate)3-2 - log_k 19.630 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.963E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 1.000NO3- = Th(NO3)+3 - log_k 1.300 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.3E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 2.000NO3- = Th(NO3)2+2 - log_k 2.300 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.3E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 1.000Nta-3 = Th(Nta)+ - log_k 17.150 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.715E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 - 1.000H+ + 4.000CO3-2 + 1.000H2O = Th(OH)(CO3)4-5 - log_k 21.600 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.16E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 - 1.000H+ + 1.000Edta-4 + 1.000H2O = Th(OH)(Edta)- - log_k 19.500 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.95E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 - 1.000H+ + 1.000Nta-3 + 1.000H2O = Th(OH)(Nta) - log_k 25.200 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.52E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 - 1.000H+ + 1.000H2O = Th(OH)+3 - log_k -2.500 #09RAN/FUG - delta_h 44.200 #kJ/mol #09RAN/FUG - # Enthalpy of formation: -1010.33 #kJ/mol - -analytic 5.2435E+0 0E+0 -2.30872E+3 0E+0 0E+0 - -1.000Th+4 - 2.000H+ + 1.000CO3-2 + 2.000H2O = Th(OH)2(CO3) - log_k 2.500 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.5E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 - 2.000H+ + 2.000CO3-2 + 2.000H2O = Th(OH)2(CO3)2-2 - log_k 8.800 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.8E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 - 2.000H+ + 1.000Nta-3 + 2.000H2O = Th(OH)2(Nta)- - log_k 35.200 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.52E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 - 2.000H+ + 2.000H2O = Th(OH)2+2 - log_k -6.200 #09RAN/FUG - delta_h 85.700 #kJ/mol #09RAN/FUG - # Enthalpy of formation: -1254.66 #kJ/mol - -analytic 8.81397E+0 0E+0 -4.47642E+3 0E+0 0E+0 - -1.000Th+4 - 3.000H+ + 1.000CO3-2 + 3.000H2O = Th(OH)3(CO3)- - log_k -3.700 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.7E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 - 3.000H+ + 1.000HGlu- + 3.000H2O = Th(OH)3(HGlu) - log_k -6.700 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.7E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 - 3.000H+ + 1.000HIsa- + 3.000H2O = Th(OH)3(HIsa) - log_k -5.650 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.65E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 - 3.000H+ + 2.000HIsa- + 3.000H2O = Th(OH)3(HIsa)2- - log_k -4.900 #09RAI/YUI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.9E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 - 3.000H+ + 3.000H2O = Th(OH)3+ - log_k -11.000 #10GRI/RIB - delta_h 125.623 #kJ/mol - # Enthalpy of formation: -1500.554 #kJ/mol - -analytic 1.10082E+1 0E+0 -6.56174E+3 0E+0 0E+0 - -1.000Th+4 - 4.000H+ + 4.000H2O = Th(OH)4 - log_k -17.400 #09RAN/FUG - delta_h 152.688 #kJ/mol - # Enthalpy of formation: -1759.319 #kJ/mol - -analytic 9.34975E+0 0E+0 -7.97544E+3 0E+0 0E+0 - -1.000Th+4 - 4.000H+ + 1.000CO3-2 + 4.000H2O = Th(OH)4(CO3)-2 - log_k -15.600 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.56E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 - 4.000H+ + 1.000HGlu- + 4.000H2O = Th(OH)4(HGlu)- - log_k -11.800 #13COL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.18E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 2.000HGlu- + 4.000H2O - 4.000H+ = Th(OH)4(HGlu)2-2 - log_k -9.900 #13COL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -9.9E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 - 4.000H+ + 1.000HIsa- + 4.000H2O = Th(OH)4(HIsa)- - log_k -13.200 #13COL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.32E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 - 4.000H+ + 2.000HIsa- + 4.000H2O = Th(OH)4(HIsa)2-2 - log_k -10.400 #13COL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.04E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 1.000Ox-2 = Th(Ox)+2 - log_k 9.700 #08SAS/TAK; 09KOB/SAS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.7E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 2.000Ox-2 = Th(Ox)2 - log_k 16.000 #08SAS/TAK; 09KOB/SAS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.6E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 3.000Ox-2 = Th(Ox)3-2 - log_k 22.200 #08SAS/TAK; 09KOB/SAS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.22E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 1.000SO4-2 = Th(SO4)+2 - log_k 6.170 #09RAN/FUG - delta_h 20.920 #kJ/mol #09RAN/FUG - # Enthalpy of formation: -1657.12 #kJ/mol - -analytic 9.83502E+0 0E+0 -1.09273E+3 0E+0 0E+0 - -1.000Th+4 + 2.000SO4-2 = Th(SO4)2 - log_k 9.690 #09RAN/FUG - delta_h 40.380 #kJ/mol #09RAN/FUG - # Enthalpy of formation: -2547 #kJ/mol - -analytic 1.67643E+1 0E+0 -2.10919E+3 0E+0 0E+0 - -1.000Th+4 + 3.000SO4-2 = Th(SO4)3-2 - log_k 10.750 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.075E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 1.000Succinat-2 = Th(Succinat)+2 - log_k 8.490 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.49E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 2.000Succinat-2 = Th(Succinat)2 - log_k 12.920 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.292E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 3.000Succinat-2 = Th(Succinat)3-2 - log_k 16.620 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.662E+1 0E+0 0E+0 0E+0 0E+0 - -2.000Th+4 - 2.000H+ + 2.000H2O = Th2(OH)2+6 - log_k -5.900 #09RAN/FUG - delta_h 58.300 #kJ/mol #09RAN/FUG - # Enthalpy of formation: -2050.76 #kJ/mol - -analytic 4.31371E+0 0E+0 -3.04522E+3 0E+0 0E+0 - -2.000Th+4 - 3.000H+ + 3.000H2O = Th2(OH)3+5 - log_k -6.800 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.8E+0 0E+0 0E+0 0E+0 0E+0 - -2.000Th+4 - 1.000H+ + 1.000Ox-2 + 1.000H2O = Th2(Ox)(OH)+5 - log_k 26.240 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.624E+1 0E+0 0E+0 0E+0 0E+0 - -4.000Th+4 - 12.000H+ + 12.000H2O = Th4(OH)12+4 - log_k -26.600 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.66E+1 0E+0 0E+0 0E+0 0E+0 - -4.000Th+4 - 8.000H+ + 8.000H2O = Th4(OH)8+8 - log_k -20.400 #09RAN/FUG - delta_h 243.000 #kJ/mol #09RAN/FUG - # Enthalpy of formation: -5118.44 #kJ/mol - -analytic 2.21717E+1 0E+0 -1.26928E+4 0E+0 0E+0 - -6.000Th+4 - 14.000H+ + 14.000H2O = Th6(OH)14+10 - log_k -36.800 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.68E+1 0E+0 0E+0 0E+0 0E+0 - -6.000Th+4 - 15.000H+ + 15.000H2O = Th6(OH)15+9 - log_k -36.800 #09RAN/FUG - delta_h 472.800 #kJ/mol #09RAN/FUG - # Enthalpy of formation: -8426.85 #kJ/mol - -analytic 4.60309E+1 0E+0 -2.4696E+4 0E+0 0E+0 - -1.000Th+4 + 1.000Cl- = ThCl+3 - log_k 1.700 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.7E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 1.000F- = ThF+3 - log_k 8.870 #09RAN/FUG - delta_h -0.400 #kJ/mol #09RAN/FUG - # Enthalpy of formation: -1104.45 #kJ/mol - -analytic 8.79992E+0 0E+0 2.08934E+1 0E+0 0E+0 - -1.000Th+4 + 2.000F- = ThF2+2 - log_k 15.630 #09RAN/FUG - delta_h -3.300 #kJ/mol #09RAN/FUG - # Enthalpy of formation: -1442.7 #kJ/mol - -analytic 1.50519E+1 0E+0 1.72371E+2 0E+0 0E+0 - -1.000Th+4 + 3.000F- = ThF3+ - log_k 20.670 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.067E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 4.000F- = ThF4 - log_k 25.580 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.558E+1 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 + 1.000Acetate- = U(Acetate)+3 - log_k 5.640 #12GRI/GAR2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.64E+0 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 + 2.000Acetate- = U(Acetate)2+2 - log_k 9.810 #12GRI/GAR2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.81E+0 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 + 4.000CO3-2 = U(CO3)4-4 - log_k 35.120 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.512E+1 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 + 5.000CO3-2 = U(CO3)5-6 - log_k 34.000 #03GUI/FAN - delta_h -20.000 #kJ/mol #03GUI/FAN - # Enthalpy of formation: -3987.35 #kJ/mol - -analytic 3.04962E+1 0E+0 1.04467E+3 0E+0 0E+0 - -1.000U+4 + 1.000Edta-4 = U(Edta) - log_k 29.500 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.95E+1 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 + 1.000NO3- = U(NO3)+3 - log_k 1.470 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.47E+0 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 + 2.000NO3- = U(NO3)2+2 - log_k 2.300 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.3E+0 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 + 1.000Nta-3 = U(Nta)+ - log_k 20.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2E+1 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 - 1.000H+ + 1.000Edta-4 + 1.000H2O = U(OH)(Edta)- - log_k 24.600 #63ERM/KRO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.46E+1 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 - 1.000H+ + 1.000H2O = U(OH)+3 - log_k -0.540 #92GRE/FUG - delta_h 46.910 #kJ/mol - # Enthalpy of formation: -830.12 #kJ/mol - -analytic 7.67827E+0 0E+0 -2.45028E+3 0E+0 0E+0 - -1.000U+4 - 2.000H+ + 1.000Edta-4 + 2.000H2O = U(OH)2(Edta)-2 - log_k 16.500 #63ERM/KRO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.65E+1 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 - 2.000H+ + 2.000H2O = U(OH)2+2 - log_k -1.100 #01NEC/KIM - delta_h 59.974 #kJ/mol - # Enthalpy of formation: -1102.886 #kJ/mol - -analytic 9.40698E+0 0E+0 -3.13266E+3 0E+0 0E+0 - -1.000U+4 - 3.000H+ + 1.000HGlu- + 3.000H2O = U(OH)3(HGlu) - log_k 0.290 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.9E-1 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 - 3.000H+ + 1.000HIsa- + 3.000H2O = U(OH)3(HIsa) - log_k 0.290 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.9E-1 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 - 3.000H+ + 2.000HIsa- + 3.000H2O = U(OH)3(HIsa)2- - log_k 2.400 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.4E+0 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 - 3.000H+ + 3.000H2O = U(OH)3+ - log_k -4.700 #01NEC/KIM - delta_h 82.944 #kJ/mol - # Enthalpy of formation: -1365.746 #kJ/mol - -analytic 9.83114E+0 0E+0 -4.33246E+3 0E+0 0E+0 - -1.000U+4 - 4.000H+ + 4.000H2O = U(OH)4 - log_k -10.000 #03GUI/FAN - delta_h 109.881 #kJ/mol - # Enthalpy of formation: -1624.639 #kJ/mol - -analytic 9.2503E+0 0E+0 -5.73948E+3 0E+0 0E+0 - -1.000U+4 - 4.000H+ + 1.000HGlu- + 4.000H2O = U(OH)4(HGlu)- - log_k -5.940 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.94E+0 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 - 4.000H+ + 1.000HIsa- + 4.000H2O = U(OH)4(HIsa)- - log_k -6.700 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.7E+0 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 - 4.000H+ + 2.000HIsa- + 4.000H2O = U(OH)4(HIsa)2-2 - log_k -5.100 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.1E+0 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 + 2.000Ox-2 = U(Ox)2 - log_k 18.630 #12GRI/GAR2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.863E+1 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 + 3.000Ox-2 = U(Ox)3-2 - log_k 24.190 #12GRI/GAR2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.419E+1 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 + 1.000SO4-2 = U(SO4)+2 - log_k 6.580 #92GRE/FUG - delta_h 8.000 #kJ/mol #92GRE/FUG - # Enthalpy of formation: -1492.54 #kJ/mol - -analytic 7.98154E+0 0E+0 -4.17868E+2 0E+0 0E+0 - -1.000U+4 + 2.000SO4-2 = U(SO4)2 - log_k 10.510 #92GRE/FUG - delta_h 32.700 #kJ/mol #92GRE/FUG - # Enthalpy of formation: -2377.18 #kJ/mol - -analytic 1.62388E+1 0E+0 -1.70804E+3 0E+0 0E+0 - -1.000U+4 + 1.000Br- = UBr+3 - log_k 1.460 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.46E+0 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 + 1.000Cl- = UCl+3 - log_k 1.720 #92GRE/FUG - delta_h -19.000 #kJ/mol #92GRE/FUG - # Enthalpy of formation: -777.28 #kJ/mol - -analytic -1.60865E+0 0E+0 9.92438E+2 0E+0 0E+0 - -1.000U+4 + 1.000F- = UF+3 - log_k 9.420 #03GUI/FAN - delta_h -5.600 #kJ/mol #92GRE/FUG - # Enthalpy of formation: -932.15 #kJ/mol - -analytic 8.43892E+0 0E+0 2.92508E+2 0E+0 0E+0 - -1.000U+4 + 2.000F- = UF2+2 - log_k 16.560 #03GUI/FAN - delta_h -3.500 #kJ/mol #92GRE/FUG - # Enthalpy of formation: -1265.4 #kJ/mol - -analytic 1.59468E+1 0E+0 1.82817E+2 0E+0 0E+0 - -1.000U+4 + 3.000F- = UF3+ - log_k 21.890 #03GUI/FAN - delta_h 0.500 #kJ/mol #92GRE/FUG - # Enthalpy of formation: -1596.75 #kJ/mol - -analytic 2.19776E+1 0E+0 -2.61168E+1 0E+0 0E+0 - -1.000U+4 + 4.000F- = UF4 - log_k 26.340 #03GUI/FAN - delta_h -8.429 #kJ/mol - # Enthalpy of formation: -1941.029 #kJ/mol - -analytic 2.48633E+1 0E+0 4.40277E+2 0E+0 0E+0 - -1.000U+4 + 5.000F- = UF5- - log_k 27.730 #03GUI/FAN - delta_h -11.624 #kJ/mol - # Enthalpy of formation: -2279.574 #kJ/mol - -analytic 2.56936E+1 0E+0 6.07163E+2 0E+0 0E+0 - -1.000U+4 + 6.000F- = UF6-2 - log_k 29.800 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.98E+1 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 + 1.000I- = UI+3 - log_k 1.250 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.25E+0 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 1.000Acetate- = UO2(Acetate)+ - log_k 3.020 #11RIC/GRI - delta_h -35.366 #kJ/mol - # Enthalpy of formation: -1540.376 #kJ/mol - -analytic -3.17585E+0 0E+0 1.84729E+3 0E+0 0E+0 - -1.000UO2+2 + 2.000Acetate- = UO2(Acetate)2 - log_k 5.200 #11RIC/GRI - delta_h -34.958 #kJ/mol - # Enthalpy of formation: -2025.978 #kJ/mol - -analytic -9.2437E-1 0E+0 1.82598E+3 0E+0 0E+0 - -1.000UO2+2 + 3.000Acetate- = UO2(Acetate)3- - log_k 7.030 #11RIC/GRI - delta_h -45.947 #kJ/mol - # Enthalpy of formation: -2522.977 #kJ/mol - -analytic -1.01956E+0 0E+0 2.39998E+3 0E+0 0E+0 - -1.000UO2+2 + 1.000CO3-2 = UO2(CO3) - log_k 9.940 #03GUI/FAN - delta_h 5.000 #kJ/mol #92GRE/FUG - # Enthalpy of formation: -1689.23 #kJ/mol - -analytic 1.0816E+1 0E+0 -2.61168E+2 0E+0 0E+0 - -1.000UO2+2 + 2.000CO3-2 = UO2(CO3)2-2 - log_k 16.610 #03GUI/FAN - delta_h 18.500 #kJ/mol #92GRE/FUG - # Enthalpy of formation: -2350.96 #kJ/mol - -analytic 1.98511E+1 0E+0 -9.66321E+2 0E+0 0E+0 - -1.000UO2+2 + 3.000CO3-2 = UO2(CO3)3-4 - log_k 21.840 #03GUI/FAN - delta_h -39.200 #kJ/mol - # Enthalpy of formation: -3083.89 #kJ/mol - -analytic 1.49725E+1 0E+0 2.04756E+3 0E+0 0E+0 - -1.000UO2+ + 3.000CO3-2 = UO2(CO3)3-5 - log_k 6.950 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.95E+0 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 1.000Cit-3 = UO2(Cit)- - log_k 8.960 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.96E+0 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 1.000Edta-4 = UO2(Edta)-2 - log_k 13.700 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.37E+1 0E+0 0E+0 0E+0 0E+0 - -1.000AsO4-3 + 1.000UO2+2 + 2.000H+ = UO2(H2AsO4)+ - log_k 21.960 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.196E+1 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 4.000H+ + 2.000AsO4-3 = UO2(H2AsO4)2 - log_k 41.530 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.153E+1 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 1.000H+ + 2.000H2(PO4)- = UO2(H2PO4)(H3PO4)+ - log_k 5.930 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.93E+0 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 1.000H2(PO4)- = UO2(H2PO4)+ - log_k 3.260 #92GRE/FUG - delta_h -15.340 #kJ/mol - # Enthalpy of formation: -2336.94 #kJ/mol - -analytic 5.72551E-1 0E+0 8.01263E+2 0E+0 0E+0 - -1.000UO2+2 + 2.000H2(PO4)- = UO2(H2PO4)2 - log_k 4.920 #92GRE/FUG - delta_h -51.871 #kJ/mol - # Enthalpy of formation: -6902.925 #kJ/mol - -analytic -4.1674E+0 0E+0 2.70941E+3 0E+0 0E+0 - -1.000UO2+2 + 1.000H+ + 1.000H2(PO4)- = UO2(H3PO4)+2 - log_k 2.900 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.9E+0 0E+0 0E+0 0E+0 0E+0 - -1.000AsO4-3 + 1.000UO2+2 + 1.000H+ = UO2(HAsO4) - log_k 18.760 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.876E+1 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 1.000H+ + 1.000Cit-3 = UO2(HCit) - log_k 11.360 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.136E+1 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 1.000H+ + 1.000Edta-4 = UO2(HEdta)- - log_k 19.610 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.961E+1 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 1.000HIsa- = UO2(HIsa)+ - log_k 3.700 #04RAO/GAR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.7E+0 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 2.000HIsa- = UO2(HIsa)2 - log_k 6.600 #04RAO/GAR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.6E+0 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 3.000HIsa- = UO2(HIsa)3- - log_k 8.500 #04RAO/GAR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.5E+0 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 1.000H+ + 1.000Nta-3 = UO2(HNta) - log_k 9.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9E+0 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 - 1.000H+ + 1.000H2(PO4)- = UO2(HPO4) - log_k 0.030 #92GRE/FUG - delta_h 2.795 #kJ/mol - # Enthalpy of formation: -4408.507 #kJ/mol - -analytic 5.19662E-1 0E+0 -1.45993E+2 0E+0 0E+0 - -1.000UO2+2 + 2.000I- + 3.000O2 = UO2(IO3)2 - log_k 38.400 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.84E+1 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 1.000NO3- = UO2(NO3)+ - log_k 0.100 #08RAO/TIA - delta_h 3.900 #kJ/mol #08RAO/TIA - # Enthalpy of formation: -1221.95 #kJ/mol - -analytic 7.8325E-1 0E+0 -2.03711E+2 0E+0 0E+0 - -1.000UO2+2 + 1.000Nta-3 = UO2(Nta)- - log_k 10.800 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.08E+1 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 - 1.000H+ + 1.000Ox-2 + 1.000H2O = UO2(OH)(Ox)- - log_k 0.630 #56GRI/PTI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.3E-1 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 - 1.000H+ + 1.000H2O = UO2(OH)+ - log_k -5.250 #03GUI/FAN - delta_h 43.458 #kJ/mol - # Enthalpy of formation: -1261.372 #kJ/mol - -analytic 2.3635E+0 0E+0 -2.26997E+3 0E+0 0E+0 - -1.000UO2+2 - 2.000H+ + 2.000H2O = UO2(OH)2 - log_k -12.150 #03GUI/FAN - delta_h 111.160 #kJ/mol - # Enthalpy of formation: -1479.5 #kJ/mol #82WAG/EVA - -analytic 7.32437E+0 0E+0 -5.80628E+3 0E+0 0E+0 - -1.000UO2+2 - 3.000H+ + 3.000H2O = UO2(OH)3- - log_k -20.250 #03GUI/FAN - delta_h 148.060 #kJ/mol #Estimated by linear correlations - # Enthalpy of formation: -1728.43 #kJ/mol - -analytic 5.68896E+0 0E+0 -7.7337E+3 0E+0 0E+0 - -1.000UO2+2 - 4.000H+ + 1.000HIsa- + 4.000H2O = UO2(OH)4(HIsa)-3 - log_k -28.100 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.81E+1 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 - 4.000H+ + 4.000H2O = UO2(OH)4-2 - log_k -32.400 #03GUI/FAN - delta_h 156.138 #kJ/mol - # Enthalpy of formation: -2006.182 #kJ/mol - -analytic -5.04584E+0 0E+0 -8.15564E+3 0E+0 0E+0 - -1.000UO2+2 + 1.000Ox-2 = UO2(Ox) - log_k 7.130 #05HUM/AND - delta_h 25.360 #kJ/mol - # Enthalpy of formation: -1824.3 #kJ/mol #05HUM/AND - -analytic 1.15729E+1 0E+0 -1.32464E+3 0E+0 0E+0 - -1.000UO2+2 + 2.000Ox-2 = UO2(Ox)2-2 - log_k 11.650 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.165E+1 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 3.000Ox-2 = UO2(Ox)3-4 - log_k 13.800 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.38E+1 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 - 2.000H+ + 1.000H2(PO4)- = UO2(PO4)- - log_k -6.330 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.33E+0 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 1.000Phthalat-2 = UO2(Phthalat) - log_k 5.560 #11GRI/COL3 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.56E+0 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 1.000S2O3-2 = UO2(S2O3) - log_k 2.800 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.8E+0 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 1.000SO3-2 = UO2(SO3) - log_k 6.600 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.6E+0 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 1.000SO4-2 = UO2(SO4) - log_k 3.150 #03GUI/FAN - delta_h 19.500 #kJ/mol #03GUI/FAN - # Enthalpy of formation: -1908.84 #kJ/mol - -analytic 6.56625E+0 0E+0 -1.01855E+3 0E+0 0E+0 - -1.000UO2+2 + 2.000SO4-2 = UO2(SO4)2-2 - log_k 4.140 #03GUI/FAN - delta_h 35.100 #kJ/mol #03GUI/FAN - # Enthalpy of formation: -2802.58 #kJ/mol - -analytic 1.02892E+1 0E+0 -1.8334E+3 0E+0 0E+0 - -1.000UO2+2 + 3.000SO4-2 = UO2(SO4)3-4 - log_k 3.020 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.02E+0 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 1.000SeO4-2 = UO2(SeO4) - log_k 2.740 #05OLI/NOL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.74E+0 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 2.000SeO4-2 = UO2(SeO4)2-2 - log_k 3.100 #99DJO/PIZ recalculated in 05OLI/NOL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.1E+0 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 1.000Succinat-2 = UO2(Succinat) - log_k 5.280 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.28E+0 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 1.000Br- = UO2Br+ - log_k 0.220 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.2E-1 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 1.000Br- + 1.500O2 = UO2BrO3+ - log_k -16.570 #92GRE/FUG - delta_h 73.011 #kJ/mol - # Enthalpy of formation: -1085.6 #kJ/mol - -analytic -3.77904E+0 0E+0 -3.81362E+3 0E+0 0E+0 - -1.000UO2+2 + 1.000Cl- = UO2Cl+ - log_k 0.170 #92GRE/FUG - delta_h 8.000 #kJ/mol #92GRE/FUG - # Enthalpy of formation: -1178.08 #kJ/mol - -analytic 1.57154E+0 0E+0 -4.17868E+2 0E+0 0E+0 - -1.000UO2+2 + 2.000Cl- = UO2Cl2 - log_k -1.100 #92GRE/FUG - delta_h 15.000 #kJ/mol #92GRE/FUG - # Enthalpy of formation: -1338.16 #kJ/mol - -analytic 1.52788E+0 0E+0 -7.83503E+2 0E+0 0E+0 - -1.000UO2+2 + 1.000Cl- + 1.500O2 = UO2ClO3+ - log_k -16.770 #92GRE/FUG - delta_h 77.381 #kJ/mol #92GRE/FUG - # Enthalpy of formation: -1126.9 #kJ/mol - -analytic -3.21345E+0 0E+0 -4.04189E+3 0E+0 0E+0 - -1.000UO2+2 + 1.000F- = UO2F+ - log_k 5.160 #03GUI/FAN - delta_h 1.700 #kJ/mol #92GRE/FUG - # Enthalpy of formation: -1352.65 #kJ/mol - -analytic 5.45783E+0 0E+0 -8.87971E+1 0E+0 0E+0 - -1.000UO2+2 + 2.000F- = UO2F2 - log_k 8.830 #03GUI/FAN - delta_h 2.100 #kJ/mol #92GRE/FUG - # Enthalpy of formation: -1687.6 #kJ/mol - -analytic 9.1979E+0 0E+0 -1.0969E+2 0E+0 0E+0 - -1.000UO2+2 + 3.000F- = UO2F3- - log_k 10.900 #03GUI/FAN - delta_h 2.350 #kJ/mol #92GRE/FUG - # Enthalpy of formation: -2022.7 #kJ/mol - -analytic 1.13117E+1 0E+0 -1.22749E+2 0E+0 0E+0 - -1.000UO2+2 + 4.000F- = UO2F4-2 - log_k 11.840 #03GUI/FAN - delta_h 0.290 #kJ/mol #92GRE/FUG - # Enthalpy of formation: -2360.11 #kJ/mol - -analytic 1.18908E+1 0E+0 -1.51477E+1 0E+0 0E+0 - -1.000UO2+2 + 1.000I- + 1.500O2 = UO2IO3+ - log_k 19.410 #92GRE/FUG - delta_h -134.919 #kJ/mol - # Enthalpy of formation: -1228.9 #kJ/mol - -analytic -4.22676E+0 0E+0 7.0473E+3 0E+0 0E+0 - -1.000UO2+2 - 1.000H+ + 1.000H4(SiO4) = UO2SiO(OH)3+ - log_k -1.840 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.84E+0 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 + 1.000Ox-2 = UOx+2 - log_k 10.670 #12GRI/GAR2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.067E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Zn+2 + 1.000H+ + 1.000Cn- + 1.000HSe- - 1.000H2O + 0.500O2 = Zn(SeCn)+ - log_k 57.230 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.723E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Zn+2 + 2.000H+ + 2.000Cn- + 2.000HSe- - 2.000H2O + 1.000O2 = Zn(SeCn)2 - log_k 113.710 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.1371E+2 0E+0 0E+0 0E+0 0E+0 - -1.000Zn+2 + 1.000SeO4-2 = Zn(SeO4) - log_k 2.160 #05OLI/NOL - delta_h 4.600 #kJ/mol #05OLI/NOL - # Enthalpy of formation: -752.29 #kJ/mol - -analytic 2.96588E+0 0E+0 -2.40274E+2 0E+0 0E+0 - -4.000CO3-2 + 1.000Zr+4 = Zr(CO3)4-4 - log_k 42.900 #05BRO/CUR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.29E+1 0E+0 0E+0 0E+0 0E+0 - -2.000NO3- + 1.000Zr+4 = Zr(NO3)2+2 - log_k 2.640 #05BRO/CUR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.64E+0 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000Zr+4 + 1.000H2O = Zr(OH)+3 - log_k 0.320 #05BRO/CUR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.2E-1 0E+0 0E+0 0E+0 0E+0 - -- 2.000H+ + 1.000Zr+4 + 2.000H2O = Zr(OH)2+2 - log_k 0.980 #05BRO/CUR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.8E-1 0E+0 0E+0 0E+0 0E+0 - -- 4.000H+ + 1.000Zr+4 + 4.000H2O = Zr(OH)4 - log_k -2.190 #05BRO/CUR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.19E+0 0E+0 0E+0 0E+0 0E+0 - -- 6.000H+ + 1.000Zr+4 + 6.000H2O = Zr(OH)6-2 - log_k -29.000 #05BRO/CUR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.9E+1 0E+0 0E+0 0E+0 0E+0 - -2.000SO4-2 + 1.000Zr+4 = Zr(SO4)2 - log_k 11.540 #05BRO/CUR - delta_h 67.380 #kJ/mol - # Enthalpy of formation: -2359.8 #kJ/mol #05BRO/CUR - -analytic 2.33445E+1 0E+0 -3.5195E+3 0E+0 0E+0 - -3.000SO4-2 + 1.000Zr+4 = Zr(SO4)3-2 - log_k 14.300 #05BRO/CUR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.43E+1 0E+0 0E+0 0E+0 0E+0 - -- 4.000H+ + 3.000Zr+4 + 4.000H2O = Zr3(OH)4+8 - log_k 0.400 #05BRO/CUR - delta_h -1.980 #kJ/mol - # Enthalpy of formation: -2970.8 #kJ/mol #05BRO/CUR - -analytic 5.31194E-2 0E+0 1.03422E+2 0E+0 0E+0 - -- 15.000H+ + 4.000Zr+4 + 15.000H2O = Zr4(OH)15+ - log_k 12.580 #05BRO/CUR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.258E+1 0E+0 0E+0 0E+0 0E+0 - -- 16.000H+ + 4.000Zr+4 + 16.000H2O = Zr4(OH)16 - log_k 8.390 #05BRO/CUR - delta_h 301.120 #kJ/mol - # Enthalpy of formation: -6706.16 #kJ/mol #05BRO/CUR - -analytic 6.11439E+1 0E+0 -1.57286E+4 0E+0 0E+0 - -1.000Cl- + 1.000Zr+4 = ZrCl+3 - log_k 1.590 #05BRO/CUR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.59E+0 0E+0 0E+0 0E+0 0E+0 - -2.000Cl- + 1.000Zr+4 = ZrCl2+2 - log_k 2.170 #05BRO/CUR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.17E+0 0E+0 0E+0 0E+0 0E+0 - -1.000F- + 1.000Zr+4 = ZrF+3 - log_k 10.120 #05BRO/CUR - delta_h -17.500 #kJ/mol #05BRO/CUR - # Enthalpy of formation: -961.35 #kJ/mol - -analytic 7.05414E+0 0E+0 9.14087E+2 0E+0 0E+0 - -2.000F- + 1.000Zr+4 = ZrF2+2 - log_k 18.550 #05BRO/CUR - delta_h -16.800 #kJ/mol #05BRO/CUR - # Enthalpy of formation: -1296 #kJ/mol - -analytic 1.56068E+1 0E+0 8.77524E+2 0E+0 0E+0 - -3.000F- + 1.000Zr+4 = ZrF3+ - log_k 24.720 #05BRO/CUR - delta_h -11.200 #kJ/mol #05BRO/CUR - # Enthalpy of formation: -1625.75 #kJ/mol - -analytic 2.27578E+1 0E+0 5.85016E+2 0E+0 0E+0 - -4.000F- + 1.000Zr+4 = ZrF4 - log_k 30.110 #05BRO/CUR - delta_h -22.000 #kJ/mol #05BRO/CUR - # Enthalpy of formation: -1971.9 #kJ/mol - -analytic 2.62558E+1 0E+0 1.14914E+3 0E+0 0E+0 - -5.000F- + 1.000Zr+4 = ZrF5- - log_k 34.600 #05BRO/CUR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.46E+1 0E+0 0E+0 0E+0 0E+0 - -6.000F- + 1.000Zr+4 = ZrF6-2 - log_k 38.110 #05BRO/CUR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.811E+1 0E+0 0E+0 0E+0 0E+0 - -1.000NO3- + 1.000Zr+4 = ZrNO3+3 - log_k 1.590 #05BRO/CUR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.59E+0 0E+0 0E+0 0E+0 0E+0 - -1.000SO4-2 + 1.000Zr+4 = ZrSO4+2 - log_k 7.040 #05BRO/CUR - delta_h 36.940 #kJ/mol - # Enthalpy of formation: -1480.9 #kJ/mol #05BRO/CUR - -analytic 1.35116E+1 0E+0 -1.92951E+3 0E+0 0E+0 +Acetate- = Acetate- + log_k 0 +# Enthalpy of formation: -486.010 kJ/mol 82WAG/EVA + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Adipate-2 = Adipate-2 + log_k 0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Ag+ = Ag+ + log_k 0 +# Enthalpy of formation: +105.790 kJ/mol 95SIL/BID + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Al+3 = Al+3 + log_k 0 +# Enthalpy of formation: -538.400 kJ/mol 95POK/HEL + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Am+3 = Am+3 + log_k 0 +# Enthalpy of formation: -616.700 kJ/mol 95SIL/BID + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +AsO4-3 = AsO4-3 + log_k 0 +# Enthalpy of formation: -888.140 kJ/mol 09RAN/FUG + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +B(OH)4- = B(OH)4- + log_k 0 +# Enthalpy of formation: -1345.116 kJ/mol 99RAR/RAN + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Ba+2 = Ba+2 + log_k 0 +# Enthalpy of formation: -534.800 kJ/mol 95SIL/BID + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Be+2 = Be+2 + log_k 0 +# Enthalpy of formation: -382.800 kJ/mol 89COX/WAG + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Br- = Br- + log_k 0 +# Enthalpy of formation: -121.410 kJ/mol 95SIL/BID + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Ca+2 = Ca+2 + log_k 0 +# Enthalpy of formation: -543.000 kJ/mol 89COX/WAG + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Cd+2 = Cd+2 + log_k 0 +# Enthalpy of formation: -75.920 kJ/mol 89COX/WAG + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Cit-3 = Cit-3 + log_k 0 +# Enthalpy of formation: -1519.920 kJ/mol 05HUM/AND + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Cl- = Cl- + log_k 0 +# Enthalpy of formation: -167.080 kJ/mol 89COX/WAG + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Cm+3 = Cm+3 + log_k 0 +# Enthalpy of formation: -615.000 kJ/mol 01KON2 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Co+2 = Co+2 + log_k 0 +# Enthalpy of formation: -57.600 kJ/mol 98PLY/ZHA1 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +CO3-2 = CO3-2 + log_k 0 +# Enthalpy of formation: -675.230 kJ/mol 89COX/WAG + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +CrO4-2 = CrO4-2 + log_k 0 +# Enthalpy of formation: -879.000 kJ/mol + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Cs+ = Cs+ + log_k 0 +# Enthalpy of formation: -258.000 kJ/mol 95SIL/BID + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Cu+2 = Cu+2 + log_k 0 +# Enthalpy of formation: +64.900 kJ/mol 92GRE/FUG + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +e- = e- + log_k 0 +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Edta-4 = Edta-4 + log_k 0 +# Enthalpy of formation: -1704.800 kJ/mol 05HUM/AND + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Eu+3 = Eu+3 + log_k 0 +# Enthalpy of formation: -605.325 kJ/mol + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +F- = F- + log_k 0 +# Enthalpy of formation: -335.350 kJ/mol 95SIL/BID + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+2 = Fe+2 + log_k 0 +# Enthalpy of formation: -90.295 kJ/mol 13LEM/BER + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +H+ = H+ + log_k 0 +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +H2(PO4)- = H2(PO4)- + log_k 0 +# Enthalpy of formation: -1302.600 kJ/mol 89COX/WAG + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +H2O = H2O + log_k 0 +# Enthalpy of formation: -285.830 kJ/mol 89COX/WAG + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +H4(SiO4) = H4(SiO4) + log_k 0 +# Enthalpy of formation: -1461.194 kJ/mol + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Hf+4 = Hf+4 + log_k 0 +# Enthalpy of formation: -628.910 kJ/mol 99VAS/LYT + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Hg+2 = Hg+2 + log_k 0 +# Enthalpy of formation: +170.210 kJ/mol 89COX/WAG + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +HGlu- = HGlu- + log_k 0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +HIsa- = HIsa- + log_k 0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Ho+3 = Ho+3 + log_k 0 +# Enthalpy of formation: -707.042 kJ/mol + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +I- = I- + log_k 0 +# Enthalpy of formation: -56.780 kJ/mol 92GRE/FUG + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +K+ = K+ + log_k 0 +# Enthalpy of formation: -252.140 kJ/mol 89COX/WAG + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Li+ = Li+ + log_k 0 +# Enthalpy of formation: -278.470 kJ/mol 92GRE/FUG + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Malonate-2 = Malonate-2 + log_k 0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Mg+2 = Mg+2 + log_k 0 +# Enthalpy of formation: -467.000 kJ/mol 89COX/WAG + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Mn+2 = Mn+2 + log_k 0 +# Enthalpy of formation: -220.800 kJ/mol 95ROB/HEM + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +MoO4-2 = MoO4-2 + log_k 0 +# Enthalpy of formation: -997.000 kJ/mol 74OHA + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Na+ = Na+ + log_k 0 +# Enthalpy of formation: -240.340 kJ/mol 92GRE/FUG (89COX/WAG) + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Nb(OH)6- = Nb(OH)6- + log_k 0 +# Enthalpy of formation: -1925.658 kJ/mol + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Ni+2 = Ni+2 + log_k 0 +# Enthalpy of formation: -55.012 kJ/mol 05GAM/BUG + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +NO3- = NO3- + log_k 0 +# Enthalpy of formation: -206.850 kJ/mol 92GRE/FUG + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +NpO2+2 = NpO2+2 + log_k 0 +# Enthalpy of formation: -860.733 kJ/mol 01LEM/FUG + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Nta-3 = Nta-3 + log_k 0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Ox-2 = Ox-2 + log_k 0 +# Enthalpy of formation: -830.660 kJ/mol 05HUM/AND + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Pa+4 = Pa+4 + log_k 0 +# Enthalpy of formation: -620.000 kJ/mol 85BAR/PAR + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Pb+2 = Pb+2 + log_k 0 +# Enthalpy of formation: +0.920 kJ/mol 89COX/WAG + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Pd+2 = Pd+2 + log_k 0 +# Enthalpy of formation: +189.889 kJ/mol + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Phthalat-2 = Phthalat-2 + log_k 0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +PuO2+2 = PuO2+2 + log_k 0 +# Enthalpy of formation: -822.036 kJ/mol 01LEM/FUG + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Pyrophos-4 = Pyrophos-4 + log_k 0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Ra+2 = Ra+2 + log_k 0 +# Enthalpy of formation: -528.025 kJ/mol + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Rb+ = Rb+ + log_k 0 +# Enthalpy of formation: -251.120 kJ/mol 92GRE/FUG + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Sb(OH)3 = Sb(OH)3 + log_k 0 +# Enthalpy of formation: -773.893 kJ/mol + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +SeO4-2 = SeO4-2 + log_k 0 +# Enthalpy of formation: -603.500 kJ/mol 05OLI/NOL + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Sm+3 = Sm+3 + log_k 0 +# Enthalpy of formation: -691.198 kJ/mol + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Sn+2 = Sn+2 + log_k 0 +# Enthalpy of formation: -9.617 kJ/mol 12GAM/GAJ + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +SO4-2 = SO4-2 + log_k 0 +# Enthalpy of formation: -909.340 kJ/mol 89COX/WAG + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Sr+2 = Sr+2 + log_k 0 +# Enthalpy of formation: -550.900 kJ/mol 84BUS/PLUS + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Suberate-2 = Suberate-2 + log_k 0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Succinat-2 = Succinat-2 + log_k 0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +TcO(OH)2 = TcO(OH)2 + log_k 0 +# Enthalpy of formation: -749.243 kJ/mol + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 = Th+4 + log_k 0 +# Enthalpy of formation: -768.700 kJ/mol 09RAN/FUG + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +UO2+2 = UO2+2 + log_k 0 +# Enthalpy of formation: -1019.000 kJ/mol 92GRE/FUG + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Zn+2 = Zn+2 + log_k 0 +# Enthalpy of formation: -153.390 kJ/mol 92GRE/FUG + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Zr+4 = Zr+4 + log_k 0 +# Enthalpy of formation: -608.500 kJ/mol 05BRO/CUR + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 + +Am+3 + e- = Am+2 + log_k -38.88 #95SIL/BID + delta_h 262.076 #kJ/mol +# Enthalpy of formation: -354.624 kJ/mol + -analytic 70.33744E-1 00E+0 -13.68918E+3 00E+0 00E+0 + +Am+3 - e- = Am+4 + log_k -44.21 + delta_h 210.7 #kJ/mol +# Enthalpy of formation: -406.000 kJ/mol 95SIL/BID + -analytic -72.96945E-1 00E+0 -11.00563E+3 00E+0 00E+0 + +- 4 H+ + Am+3 - 2 e- + 2 H2O = AmO2+ + log_k -58.37 + delta_h 384.1 #kJ/mol 95SIL/BID +# Enthalpy of formation: -804.260 kJ/mol + -analytic 89.21431E-1 00E+0 -20.06294E+3 00E+0 00E+0 + +- 4 H+ + Am+3 - 3 e- + 2 H2O = AmO2+2 + log_k -85.35 + delta_h 537.6 #kJ/mol 95SIL/BID +# Enthalpy of formation: -650.760 kJ/mol + -analytic 88.33477E-1 00E+0 -28.0808E+3 00E+0 00E+0 + +10 H+ + 8 e- + CO3-2 - 3 H2O = CH4 + log_k 37.93 + delta_h -270.166 #kJ/mol +# Enthalpy of formation: -87.906 kJ/mol 01SCH/SHO + -analytic -94.01051E-1 00E+0 14.11175E+3 00E+0 00E+0 + +8 H+ + 4 e- + CrO4-2 - 4 H2O = Cr+2 + log_k 67.22 #04CHI + delta_h -421.933 #kJ/mol +# Enthalpy of formation: -157.614 kJ/mol + -analytic -66.99489E-1 00E+0 22.0391E+3 00E+0 00E+0 + +8 H+ + 3 e- + CrO4-2 - 4 H2O = Cr+3 + log_k 73.62 + delta_h -504.82 #kJ/mol +# Enthalpy of formation: -240.500 kJ/mol 04CHI + -analytic -14.82067E+0 00E+0 26.36859E+3 00E+0 00E+0 + +Cu+2 + e- = Cu+ + log_k 2.83 #80CIA/FER + delta_h 5.689 #kJ/mol +# Enthalpy of formation: +70.589 kJ/mol + -analytic 38.2667E-1 00E+0 -29.71572E+1 00E+0 00E+0 + +Eu+3 + e- = Eu+2 + log_k -5.97 + delta_h 77.723 #kJ/mol +# Enthalpy of formation: -527.602 kJ/mol 92JOH/OEL + -analytic 76.46485E-1 00E+0 -40.59755E+2 00E+0 00E+0 + +Fe+2 - e- = Fe+3 + log_k -13.05 + delta_h 40.239 #kJ/mol +# Enthalpy of formation: -50.056 kJ/mol 13LEM/BER + -analytic -60.0043E-1 00E+0 -21.01829E+2 00E+0 00E+0 + +2 H+ + 2 e- = H2 + log_k -3.08 + delta_h -4.2 #kJ/mol +# Enthalpy of formation: -4.200 kJ/mol 82WAG/EVA + -analytic -38.15808E-1 00E+0 21.93813E+1 00E+0 00E+0 + +5 H+ + 2 e- + AsO4-3 - H2O = H3(AsO3) + log_k 40.02 + delta_h -139.89 #kJ/mol +# Enthalpy of formation: -742.200 kJ/mol 09RAN/FUG + -analytic 15.51232E+0 00E+0 73.06964E+2 00E+0 00E+0 + +2 e- + 2 Hg+2 = Hg2+2 + log_k 30.79 + delta_h -173.6 #kJ/mol +# Enthalpy of formation: +166.820 kJ/mol 85BAR/PAR + -analytic 37.65855E-2 00E+0 90.6776E+2 00E+0 00E+0 + +9 H+ + 8 e- + SO4-2 - 4 H2O = HS- + log_k 33.69 + delta_h -250.28 #kJ/mol +# Enthalpy of formation: -16.300 kJ/mol 89COX/WAG + -analytic -10.15717E+0 00E+0 13.07303E+3 00E+0 00E+0 + +9 H+ + 8 e- + SeO4-2 - 4 H2O = HSe- + log_k 81.57 + delta_h -525.52 #kJ/mol +# Enthalpy of formation: +14.300 kJ/mol 05OLI/NOL + -analytic -10.49715E+0 00E+0 27.44982E+3 00E+0 00E+0 + +- 6 H+ - 6 e- + I- + 3 H2O = IO3- + log_k -111.56 + delta_h 694.57 #kJ/mol +# Enthalpy of formation: -219.700 kJ/mol 92GRE/FUG + -analytic 10.12344E+0 00E+0 -36.27992E+3 00E+0 00E+0 + +9 H+ + 8 e- + NO3- - 3 H2O = NH3 + log_k 109.9 + delta_h -731.81 #kJ/mol +# Enthalpy of formation: -81.170 kJ/mol 95SIL/BID + -analytic -18.30761E+0 00E+0 38.2251E+3 00E+0 00E+0 + +Np+4 + e- = Np+3 + log_k 3.7 + delta_h 28.838 #kJ/mol +# Enthalpy of formation: -527.184 kJ/mol 01LEM/FUG + -analytic 87.52201E-1 00E+0 -15.06314E+2 00E+0 00E+0 + +NpO2+ + 4 H+ + e- - 2 H2O = Np+4 + log_k 10.21 + delta_h -149.501 #kJ/mol +# Enthalpy of formation: -556.022 kJ/mol 03GUI/FAN + -analytic -15.98145E+0 00E+0 78.08981E+2 00E+0 00E+0 + +NpO2+2 + e- = NpO2+ + log_k 19.59 + delta_h -117.448 #kJ/mol +# Enthalpy of formation: -978.181 kJ/mol 01LEM/FUG + -analytic -98.60064E-2 00E+0 61.34736E+2 00E+0 00E+0 + +- 4 H+ - 4 e- + 2 H2O = O2 + log_k -85.99 + delta_h 559.526 #kJ/mol +# Enthalpy of formation: -12.134 kJ/mol 89SHO/HEL (Uncertainty in order to cover available data) + -analytic 12.03475E+0 00E+0 -29.22608E+3 00E+0 00E+0 + +- 4 H+ - e- + Pa+4 + 2 H2O = PaO2+ + log_k 4.22 #85BAR/PAR, 76BAE/MES + -analytic 42.2E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+4 + e- = Pu+3 + log_k 17.69 + delta_h -51.895 #kJ/mol +# Enthalpy of formation: -591.790 kJ/mol 01LEM/FUG + -analytic 85.98386E-1 00E+0 27.10665E+2 00E+0 00E+0 + +PuO2+ + 4 H+ + e- - 2 H2O = Pu+4 + log_k 17.45 + delta_h -201.428 #kJ/mol +# Enthalpy of formation: -539.895 kJ/mol 01LEM/FUG + -analytic -17.83867E+0 00E+0 10.52132E+3 00E+0 00E+0 + +PuO2+2 + e- = PuO2+ + log_k 15.82 + delta_h -88.091 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -910.127 kJ/mol + -analytic 38.71193E-2 00E+0 46.01313E+2 00E+0 00E+0 + +10 H+ + 8 e- + 2 SO4-2 - 5 H2O = S2O3-2 + log_k 38.57 + delta_h -262.756 #kJ/mol +# Enthalpy of formation: -652.286 kJ/mol 04CHI + -analytic -74.62875E-1 00E+0 13.7247E+3 00E+0 00E+0 + +8 H+ + 6 e- + 2 SO4-2 - 4 H2O = S2O4-2 + log_k 10.7 + delta_h -78.14 #kJ/mol +# Enthalpy of formation: -753.500 kJ/mol 82WAG/EVA + -analytic -29.8954E-1 00E+0 40.81536E+2 00E+0 00E+0 + +- 2 H+ - 2 e- + Sb(OH)3 + 2 H2O = Sb(OH)5 + log_k -21.74 #99LOT/OCH recalculated + -analytic -21.74E+0 00E+0 00E+0 00E+0 00E+0 + +2 H+ + 2 e- + SeO4-2 - H2O = SeO3-2 + log_k 28.04 #05OLI/NOL + delta_h -189.49 #kJ/mol +# Enthalpy of formation: -507.160 kJ/mol 05OLI/NOL + -analytic -51.57223E-1 00E+0 98.97752E+2 00E+0 00E+0 + +Sn+2 - 2 e- = Sn+4 + log_k -12.98 #12GAM/GAJ; Eº = 0.384 VforSn2 + / Sn4 + reaction (I=0) + delta_h -21.894 #kJ/mol +# Enthalpy of formation: -31.511 kJ/mol + -analytic -16.81566E+0 00E+0 11.43603E+2 00E+0 00E+0 + +2 H+ + 2 e- + SO4-2 - H2O = SO3-2 + log_k -3.62 + delta_h -7.55 #kJ/mol +# Enthalpy of formation: -631.060 kJ/mol 85GOL/PAR + -analytic -49.42703E-1 00E+0 39.4364E+1 00E+0 00E+0 + +TcO(OH)2 - 4 H+ - 3 e- + H2O = TcO4- + log_k -30.17 + delta_h 305.673 #kJ/mol +# Enthalpy of formation: -729.400 kJ/mol 99RAR/RAN + -analytic 23.38161E+0 00E+0 -15.96641E+3 00E+0 00E+0 + +e- + TcO4- = TcO4-2 + log_k -10.8 #20GRE/GAO + -analytic -10.8E+0 00E+0 00E+0 00E+0 00E+0 + +U+4 + e- = U+3 + log_k -9.35 #92GRE/FUG + delta_h 102.1 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -489.100 kJ/mol + -analytic 85.37152E-1 00E+0 -53.33054E+2 00E+0 00E+0 + +UO2+2 + 4 H+ + 2 e- - 2 H2O = U+4 + log_k 9.04 #92GRE/FUG + delta_h -143.86 #kJ/mol +# Enthalpy of formation: -591.200 kJ/mol 92GRE/FUG + -analytic -16.16319E+0 00E+0 75.14331E+2 00E+0 00E+0 + +UO2+2 + e- = UO2+ + log_k 1.48 + delta_h -6.127 #kJ/mol +# Enthalpy of formation: -1025.127 kJ/mol + -analytic 40.65957E-2 00E+0 32.00355E+1 00E+0 00E+0 + +- 2 H+ + 2 CH4 + Hg+2 = (CH3)2Hg + log_k 19 #18BLA/BUR + -analytic 19E+0 00E+0 00E+0 00E+0 00E+0 + +- 3 H+ + 2 CH4 + H2O + 2 Hg+2 = (CH3Hg)2OH+ + log_k 3.85 #18BLA/BUR + -analytic 38.5E-1 00E+0 00E+0 00E+0 00E+0 + +2 NpO2+2 - 2 H+ + 2 H2O = (NpO2)2(OH)2+2 + log_k -6.27 #01LEM/FUG + delta_h 44.995 #kJ/mol +# Enthalpy of formation: -2248.130 kJ/mol + -analytic 16.12786E-1 00E+0 -23.50253E+2 00E+0 00E+0 + +2 NpO2+2 - 3 H+ + CO3-2 + 3 H2O = (NpO2)2CO3(OH)3- + log_k -1.78 #20GRE/GAO + -analytic -17.8E-1 00E+0 00E+0 00E+0 00E+0 + +3 NpO2+2 + 6 CO3-2 = (NpO2)3(CO3)6-6 + log_k 51.43 #20GRE/GAO + -analytic 51.43E+0 00E+0 00E+0 00E+0 00E+0 + +3 NpO2+2 - 5 H+ + 5 H2O = (NpO2)3(OH)5+ + log_k -17.12 #01LEM/FUG + delta_h 110.665 #kJ/mol +# Enthalpy of formation: -3900.682 kJ/mol + -analytic 22.67676E-1 00E+0 -57.80436E+2 00E+0 00E+0 + +2 PuO2+2 - 2 H+ + 2 H2O = (PuO2)2(OH)2+2 + log_k -7.5 #01LEM/FUG + delta_h 43.583 #kJ/mol +# Enthalpy of formation: -2172.149 kJ/mol + -analytic 13.54138E-2 00E+0 -22.76499E+2 00E+0 00E+0 + +3 PuO2+2 + 6 CO3-2 = (PuO2)3(CO3)6-6 + log_k 51 #20GRE/GAO + -analytic 51E+0 00E+0 00E+0 00E+0 00E+0 + +11 UO2+2 - 12 H+ + 6 CO3-2 + 12 H2O = (UO2)11(CO3)6(OH)12-2 + log_k 36.4 #03GUI/FAN + -analytic 36.4E+0 00E+0 00E+0 00E+0 00E+0 + +2 UO2+2 - H+ + Cit-3 + H2O = (UO2)2(Cit)(OH) + log_k 9.65 #12BER/CRE + -analytic 96.5E-1 00E+0 00E+0 00E+0 00E+0 + +2 UO2+2 - 2 H+ + Cit-3 + 2 H2O = (UO2)2(Cit)(OH)2- + log_k 5.3 #12BER/CRE + -analytic 53E-1 00E+0 00E+0 00E+0 00E+0 + +2 UO2+2 - 2 H+ + 2 Cit-3 + 2 H2O = (UO2)2(Cit)2(OH)2-4 + log_k 9.29 #12BER/CRE + -analytic 92.9E-1 00E+0 00E+0 00E+0 00E+0 + +2 UO2+2 - H+ + 2 Cit-3 + H2O = (UO2)2(Cit)2(OH)-3 + log_k 16.04 #12BER/CRE + -analytic 16.04E+0 00E+0 00E+0 00E+0 00E+0 + +2 UO2+2 + 2 Cit-3 = (UO2)2(Cit)2-2 + log_k 21.3 #05HUM/AND + -analytic 21.3E+0 00E+0 00E+0 00E+0 00E+0 + +2 UO2+2 - 3 H+ + CO3-2 + 3 H2O = (UO2)2(CO3)(OH)3- + log_k -0.86 #03GUI/FAN + -analytic -86E-2 00E+0 00E+0 00E+0 00E+0 + +2 UO2+2 + Edta-4 = (UO2)2(Edta) + log_k 20.6 #05HUM/AND + -analytic 20.6E+0 00E+0 00E+0 00E+0 00E+0 + +2 UO2+2 + NpO2+2 + 6 CO3-2 = (UO2)2(NpO2)(CO3)6-6 + log_k 53.59 #01LEM/FUG + -analytic 53.59E+0 00E+0 00E+0 00E+0 00E+0 + +2 UO2+2 - H+ + H2O = (UO2)2(OH)+3 + log_k -2.7 #92GRE/FUG + delta_h 14.353 #kJ/mol +# Enthalpy of formation: -2309.477 kJ/mol + -analytic -18.54623E-2 00E+0 -74.97094E+1 00E+0 00E+0 + +2 UO2+2 - 2 H+ + 2 H2O = (UO2)2(OH)2+2 + log_k -5.62 #20GRE/GAO + delta_h 47.8 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -2561.860 kJ/mol + -analytic 27.54201E-1 00E+0 -24.96768E+2 00E+0 00E+0 + +3 UO2+2 - 3 H+ + CO3-2 + 3 H2O = (UO2)3(CO3)(OH)3+ + log_k 0.66 #03GUI/FAN + delta_h 81.131 #kJ/mol +# Enthalpy of formation: -4508.589 kJ/mol + -analytic 14.87354E+0 00E+0 -42.37767E+2 00E+0 00E+0 + +3 UO2+2 + 6 CO3-2 = (UO2)3(CO3)6-6 + log_k 54 #92GRE/FUG + delta_h -62.7 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -7171.080 kJ/mol + -analytic 43.01543E+0 00E+0 32.75049E+2 00E+0 00E+0 + +3 UO2+2 - 4 H+ + 4 H2O = (UO2)3(OH)4+2 + log_k -11.9 #92GRE/FUG + delta_h 99.2 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -4101.120 kJ/mol + -analytic 54.79094E-1 00E+0 -51.81577E+2 00E+0 00E+0 + +3 UO2+2 - 5 H+ + 5 H2O = (UO2)3(OH)5+ + log_k -15.55 #92GRE/FUG + delta_h 120.7 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -4365.450 kJ/mol + -analytic 55.95732E-1 00E+0 -63.046E+2 00E+0 00E+0 + +3 UO2+2 - 7 H+ + 7 H2O = (UO2)3(OH)7- + log_k -32.2 #92SAN/BRU + delta_h 227.015 #kJ/mol +# Enthalpy of formation: -4830.794 kJ/mol + -analytic 75.71321E-1 00E+0 -11.85782E+3 00E+0 00E+0 + +4 UO2+2 - 7 H+ + 7 H2O = (UO2)4(OH)7+ + log_k -21.9 #92GRE/FUG + -analytic -21.9E+0 00E+0 00E+0 00E+0 00E+0 + +Ag+ + 2 CO3-2 = Ag(CO3)2-3 + log_k 2.16 #97SVE/SHO + delta_h -28.115 #kJ/mol +# Enthalpy of formation: -1272.786 kJ/mol + -analytic -27.65537E-1 00E+0 14.68549E+2 00E+0 00E+0 + +Ag+ + HS- = Ag(HS) + log_k 14.05 #74NAU/RYZ in 91BAL/NOR; Uncertainty to include available data. + delta_h -78.811 #kJ/mol +# Enthalpy of formation: +10.679 kJ/mol + -analytic 24.29055E-2 00E+0 41.16585E+2 00E+0 00E+0 + +Ag+ + 2 HS- = Ag(HS)2- + log_k 18.45 #74NAU/RYZ in 91BAL/NOR; Uncertainty to include available data. + delta_h -105.805 #kJ/mol +# Enthalpy of formation: -32.615 kJ/mol + -analytic -86.24032E-3 00E+0 55.2658E+2 00E+0 00E+0 + +Ag+ - H+ + H2O = Ag(OH) + log_k -12 #76BAE/MES + delta_h 47.198 #kJ/mol +# Enthalpy of formation: -132.842 kJ/mol + -analytic -37.31265E-1 00E+0 -24.65323E+2 00E+0 00E+0 + +Ag+ - 2 H+ + 2 H2O = Ag(OH)2- + log_k -24 #76BAE/MES + delta_h 111.635 #kJ/mol +# Enthalpy of formation: -354.235 kJ/mol + -analytic -44.42388E-1 00E+0 -58.31102E+2 00E+0 00E+0 + +Ag+ + S2O3-2 = Ag(S2O3)- + log_k 9.23 #74BEL/MAR in 82HÖG + delta_h -58.994 #kJ/mol 74BEL/MAR in 82HÖG +# Enthalpy of formation: -605.490 kJ/mol + -analytic -11.05305E-1 00E+0 30.81471E+2 00E+0 00E+0 + +Ag+ + 2 S2O3-2 = Ag(S2O3)2-3 + log_k 13.64 #72POU/RIG in 82HÖG + delta_h -86.918 #kJ/mol +# Enthalpy of formation: -1285.700 kJ/mol 82WAG/EVA + -analytic -15.8738E-1 00E+0 45.40043E+2 00E+0 00E+0 + +Ag+ + SeO3-2 = Ag(SeO3)- + log_k +3.20 #Data from 68MEH and 69MEH/GUB in 05OLI/NOL corrected to I=0 by DH + -analytic 32E-1 00E+0 00E+0 00E+0 00E+0 + +Ag+ + SO3-2 = Ag(SO3)- + log_k 5.43 + -analytic 54.3E-1 00E+0 00E+0 00E+0 00E+0 + +Ag+ + SO4-2 = Ag(SO4)- + log_k 1.38 + delta_h 4.645 #kJ/mol +# Enthalpy of formation: -798.904 kJ/mol + -analytic 21.93769E-1 00E+0 -24.26252E+1 00E+0 00E+0 + +Ag+ + Br- = AgBr + log_k 4.24 #91BAL/NOR, 68WAG + delta_h -23.129 #kJ/mol +# Enthalpy of formation: -38.748 kJ/mol + -analytic 18.79731E-2 00E+0 12.08112E+2 00E+0 00E+0 + +Ag+ + 2 Br- = AgBr2- + log_k 7.28 #91BAL/NOR, 68WAG + delta_h -45.296 #kJ/mol +# Enthalpy of formation: -182.325 kJ/mol + -analytic -65.55186E-2 00E+0 23.65975E+2 00E+0 00E+0 + +Ag+ + 3 Br- = AgBr3-2 + log_k 8.71 #91BAL/NOR, 68WAG + delta_h -66.741 #kJ/mol +# Enthalpy of formation: -325.180 kJ/mol + -analytic -29.82521E-1 00E+0 34.86125E+2 00E+0 00E+0 + +Ag+ + Cl- = AgCl + log_k 3.27 #91BAL/NOR; Uncertainty to include available data. + delta_h -17.1 #kJ/mol +# Enthalpy of formation: -78.390 kJ/mol + -analytic 27.42086E-2 00E+0 89.31952E+1 00E+0 00E+0 + +Ag+ + 2 Cl- = AgCl2- + log_k 5.27 #91BAL/NOR; Uncertainty to include available data. + delta_h -28.754 #kJ/mol +# Enthalpy of formation: -257.124 kJ/mol + -analytic 23.25154E-2 00E+0 15.01926E+2 00E+0 00E+0 + +Ag+ + 3 Cl- = AgCl3-2 + log_k 5.29 #91BAL/NOR; Uncertainty to include available data. + delta_h -29.167 #kJ/mol +# Enthalpy of formation: -424.616 kJ/mol + -analytic 18.01609E-2 00E+0 15.23499E+2 00E+0 00E+0 + +Ag+ + 4 Cl- = AgCl4-3 + log_k 5.51 #91BAL/NOR; Uncertainty to include available data. + delta_h -26.099 #kJ/mol +# Enthalpy of formation: -588.628 kJ/mol + -analytic 93.76515E-2 00E+0 13.63246E+2 00E+0 00E+0 + +Ag+ + CO3-2 = AgCO3- + log_k 2.69 #97SVE/SHO + delta_h -22.838 #kJ/mol +# Enthalpy of formation: -592.278 kJ/mol + -analytic -13.11046E-1 00E+0 11.92912E+2 00E+0 00E+0 + +Ag+ + I- = AgI + log_k 6.58 #76SMI/MAR + delta_h -36.962 #kJ/mol +# Enthalpy of formation: +12.048 kJ/mol + -analytic 10.45356E-2 00E+0 19.3066E+2 00E+0 00E+0 + +Ag+ + 2 I- = AgI2- + log_k 11.7 #76SMI/MAR + delta_h -76.578 #kJ/mol +# Enthalpy of formation: -84.347 kJ/mol + -analytic -17.1589E-1 00E+0 39.99948E+2 00E+0 00E+0 + +Ag+ + 3 I- = AgI3-2 + log_k 13.28 + delta_h -114.914 #kJ/mol +# Enthalpy of formation: -179.463 kJ/mol + -analytic -68.52069E-1 00E+0 60.02376E+2 00E+0 00E+0 + +Ag+ + NO3- = AgNO3 + log_k -0.29 #91BAL/NOR, 68WAG; Uncertainty to include available data. + delta_h -0.74 #kJ/mol +# Enthalpy of formation: -101.800 kJ/mol 82WAG/EVA + -analytic -41.96424E-2 00E+0 38.65289E+0 00E+0 00E+0 + +Al+3 + Cit-3 = Al(Cit) + log_k 9.9 #95AKR/BOU + -analytic 99E-1 00E+0 00E+0 00E+0 00E+0 + +Al+3 - H+ + 2 Cit-3 + H2O = Al(Cit)2(OH)-4 + log_k 10.19 #95AKR/BOU + -analytic 10.19E+0 00E+0 00E+0 00E+0 00E+0 + +Al+3 + 2 Cit-3 = Al(Cit)2-3 + log_k 14.13 #95AKR/BOU + -analytic 14.13E+0 00E+0 00E+0 00E+0 00E+0 + +Al+3 + Edta-4 = Al(Edta)- + log_k 19.08 #95AKR/BOU + -analytic 19.08E+0 00E+0 00E+0 00E+0 00E+0 + +Al+3 + H+ + Cit-3 = Al(HCit)+ + log_k 12.9 #95AKR/BOU + -analytic 12.9E+0 00E+0 00E+0 00E+0 00E+0 + +Al+3 + H+ + Edta-4 = Al(HEdta) + log_k 21.82 #95AKR/BOU + -analytic 21.82E+0 00E+0 00E+0 00E+0 00E+0 + +Al+3 + HGlu- = Al(HGlu)+2 + log_k 3.2 #08LAK/KIS + -analytic 32E-1 00E+0 00E+0 00E+0 00E+0 + +Al+3 + H+ + Nta-3 = Al(HNta)+ + log_k 15.13 #95AKR/BOU + -analytic 15.13E+0 00E+0 00E+0 00E+0 00E+0 + +Al+3 + H+ + Ox-2 = Al(HOx)+2 + log_k 7.5 #95AKR/BOU + -analytic 75E-1 00E+0 00E+0 00E+0 00E+0 + +Al+3 + IO3- = Al(IO3)+2 + log_k 2.46 #estimation NEA87 08/2/95 + -analytic 24.6E-1 00E+0 00E+0 00E+0 00E+0 + +Al+3 + 2 IO3- = Al(IO3)2+ + log_k 4.3 #estimation NEA87 08/2/95 + -analytic 43E-1 00E+0 00E+0 00E+0 00E+0 + +Al+3 + Nta-3 = Al(Nta) + log_k 13.23 #95AKR/BOU + -analytic 13.23E+0 00E+0 00E+0 00E+0 00E+0 + +Al+3 - 2 H+ + Nta-3 + 2 H2O = Al(Nta)(OH)2-2 + log_k -0.3 #95AKR/BOU + -analytic -30E-2 00E+0 00E+0 00E+0 00E+0 + +Al+3 + 2 Nta-3 = Al(Nta)2-3 + log_k 20.8 #95AKR/BOU + -analytic 20.8E+0 00E+0 00E+0 00E+0 00E+0 + +Al+3 - H+ + Cit-3 + H2O = Al(OH)(Cit)- + log_k 8.1 #95AKR/BOU + -analytic 81E-1 00E+0 00E+0 00E+0 00E+0 + +Al+3 - H+ + Edta-4 + H2O = Al(OH)(Edta)-2 + log_k 13 #95AKR/BOU + -analytic 13E+0 00E+0 00E+0 00E+0 00E+0 + +Al+3 - H+ + HGlu- + H2O = Al(OH)(HGlu)+ + log_k -0.39 #08LAK/KIS + -analytic -39E-2 00E+0 00E+0 00E+0 00E+0 + +Al+3 - H+ + 2 HGlu- + H2O = Al(OH)(HGlu)2 + log_k 2.85 #08LAK/KIS + -analytic 28.5E-1 00E+0 00E+0 00E+0 00E+0 + +Al+3 - H+ + Nta-3 + H2O = Al(OH)(Nta)- + log_k 6.79 #95AKR/BOU + -analytic 67.9E-1 00E+0 00E+0 00E+0 00E+0 + +Al+3 - H+ + H2O = Al(OH)+2 + log_k -4.95 #95POK/HEL + delta_h 49.759 #kJ/mol +# Enthalpy of formation: -774.471 kJ/mol + -analytic 37.67403E-1 00E+0 -25.99094E+2 00E+0 00E+0 + +Al+3 - 2 H+ + Edta-4 + 2 H2O = Al(OH)2(Edta)-3 + log_k 2.3 #95AKR/BOU + -analytic 23E-1 00E+0 00E+0 00E+0 00E+0 + +Al+3 - 2 H+ + HGlu- + 2 H2O = Al(OH)2(HGlu) + log_k -4.85 #08LAK/KIS + -analytic -48.5E-1 00E+0 00E+0 00E+0 00E+0 + +Al+3 - 2 H+ + 2 HGlu- + 2 H2O = Al(OH)2(HGlu)2- + log_k -2.6 #08LAK/KIS + -analytic -26E-1 00E+0 00E+0 00E+0 00E+0 + +Al+3 - 2 H+ + 2 H2O = Al(OH)2+ + log_k -10.58 + delta_h 98.264 #kJ/mol +# Enthalpy of formation: -1011.796 kJ/mol 95POK/HEL + -analytic 66.35114E-1 00E+0 -51.32686E+2 00E+0 00E+0 + +Al+3 - 2 H+ + F- + 2 H2O = Al(OH)2F + log_k -4.21 + delta_h 118.636 #kJ/mol +# Enthalpy of formation: -1326.774 kJ/mol 01TAG/SCH + -analytic 16.57414E+0 00E+0 -61.9679E+2 00E+0 00E+0 + +Al+3 - 2 H+ + 2 F- + 2 H2O = Al(OH)2F2- + log_k -1.99 + delta_h 134.839 #kJ/mol +# Enthalpy of formation: -1645.921 kJ/mol 01TAG/SCH + -analytic 21.63278E+0 00E+0 -70.43131E+2 00E+0 00E+0 + +Al+3 - 3 H+ + 3 H2O = Al(OH)3 + log_k -16.42 + delta_h 144.686 #kJ/mol +# Enthalpy of formation: -1251.204 kJ/mol 95POK/HEL + -analytic 89.27899E-1 00E+0 -75.57476E+2 00E+0 00E+0 + +Al+3 - 3 H+ + HGlu- + 3 H2O = Al(OH)3(HGlu)- + log_k -11.11 #08LAK/KIS + -analytic -11.11E+0 00E+0 00E+0 00E+0 00E+0 + +Al+3 - 4 H+ + 4 H2O = Al(OH)4- + log_k -22.87 + delta_h 180.881 #kJ/mol +# Enthalpy of formation: -1500.839 kJ/mol 95POK/HEL + -analytic 88.18991E-1 00E+0 -94.48073E+2 00E+0 00E+0 + +Al+3 - 4 H+ + HGlu- + 4 H2O = Al(OH)4(HGlu)-2 + log_k -20.47 #13PAL/TAS + -analytic -20.47E+0 00E+0 00E+0 00E+0 00E+0 + +Al+3 + Ox-2 = Al(Ox)+ + log_k 9.4 #95AKR/BOU + -analytic 94E-1 00E+0 00E+0 00E+0 00E+0 + +Al+3 + 2 Ox-2 = Al(Ox)2- + log_k 15.39 #95AKR/BOU + -analytic 15.39E+0 00E+0 00E+0 00E+0 00E+0 + +Al+3 + 3 Ox-2 = Al(Ox)3-3 + log_k 18.3 #95AKR/BOU + -analytic 18.3E+0 00E+0 00E+0 00E+0 00E+0 + +Al+3 + SO4-2 = Al(SO4)+ + log_k 3.17 #01TAG/SCH + delta_h 18.869 #kJ/mol +# Enthalpy of formation: -1428.870 kJ/mol + -analytic 64.75707E-1 00E+0 -98.55965E+1 00E+0 00E+0 + +2 Al+3 - 2 H+ + 4 Ox-2 + 2 H2O = Al2(Ox)4(OH)2-4 + log_k 22 #95AKR/BOU + -analytic 22E+0 00E+0 00E+0 00E+0 00E+0 + +3 Al+3 - 4 H+ + 3 Cit-3 + 4 H2O = Al3(Cit)3(OH)4-4 + log_k 20.6 #95AKR/BOU + -analytic 20.6E+0 00E+0 00E+0 00E+0 00E+0 + +3 Al+3 - 3 H+ + 3 Ox-2 + 3 H2O = Al3(Ox)3(OH)3 + log_k 16 #95AKR/BOU + -analytic 16E+0 00E+0 00E+0 00E+0 00E+0 + +4 Al+3 - 4 H+ + 4 Ox-2 + 4 H2O = Al4(Ox)4(OH)4 + log_k 21 #95AKR/BOU + -analytic 21E+0 00E+0 00E+0 00E+0 00E+0 + +Al+3 + F- = AlF+2 + log_k 6.98 #01TAG/SCH + delta_h -0.345 #kJ/mol +# Enthalpy of formation: -874.094 kJ/mol + -analytic 69.19559E-1 00E+0 18.02061E+0 00E+0 00E+0 + +Al+3 + 2 F- = AlF2+ + log_k 12.5 #01TAG/SCH + delta_h 74.869 #kJ/mol +# Enthalpy of formation: -1134.230 kJ/mol + -analytic 25.61649E+0 00E+0 -39.1068E+2 00E+0 00E+0 + +Al+3 + 3 F- = AlF3 + log_k 16.55 #01TAG/SCH + delta_h 0.616 #kJ/mol +# Enthalpy of formation: -1543.833 kJ/mol + -analytic 16.65792E+0 00E+0 -32.17592E+0 00E+0 00E+0 + +Al+3 + 4 F- = AlF4- + log_k 18.93 #01TAG/SCH + delta_h 0.824 #kJ/mol +# Enthalpy of formation: -1878.974 kJ/mol + -analytic 19.07436E+0 00E+0 -43.04052E+0 00E+0 00E+0 + +Al+3 - H+ + H4(SiO4) = AlH3SiO4+2 + log_k -2.38 #01TAG/SCH + delta_h 77.382 #kJ/mol +# Enthalpy of formation: -1922.212 kJ/mol + -analytic 11.17674E+0 00E+0 -40.41943E+2 00E+0 00E+0 + +Al+3 - H+ + 2 F- + H2O = AlOHF2 + log_k 0.21 + delta_h 139.337 #kJ/mol +# Enthalpy of formation: -1355.593 kJ/mol 01TAG/SCH + -analytic 24.62079E+0 00E+0 -72.78078E+2 00E+0 00E+0 + +Am+3 + Acetate- = Am(Acetate)+2 + log_k 2.94 #11RIC/GRI + -analytic 29.4E-1 00E+0 00E+0 00E+0 00E+0 + +Am+3 + 2 Acetate- = Am(Acetate)2+ + log_k 5.07 #69MOS + -analytic 50.7E-1 00E+0 00E+0 00E+0 00E+0 + +Am+3 + 3 Acetate- = Am(Acetate)3 + log_k 6.54 #69MOS + -analytic 65.4E-1 00E+0 00E+0 00E+0 00E+0 + +Am+3 + Cit-3 = Am(Cit) + log_k 8.55 #05HUM/AND + -analytic 85.5E-1 00E+0 00E+0 00E+0 00E+0 + +Am+3 + 2 Cit-3 = Am(Cit)2-3 + log_k 13.9 #05HUM/AND + -analytic 13.9E+0 00E+0 00E+0 00E+0 00E+0 + +Am+3 + CO3-2 = Am(CO3)+ + log_k 7.9 #recalculated from 03GUI/FAN + delta_h 18.174 #kJ/mol +# Enthalpy of formation: -1273.757 kJ/mol + -analytic 11.08395E+0 00E+0 -94.92941E+1 00E+0 00E+0 + +Am+3 + 2 CO3-2 = Am(CO3)2- + log_k 12.6 #recalculated from 03GUI/FAN + -analytic 12.6E+0 00E+0 00E+0 00E+0 00E+0 + +Am+3 + 3 CO3-2 = Am(CO3)3-3 + log_k 14.6 #Recalculated from 03GUI/FAN + -analytic 14.6E+0 00E+0 00E+0 00E+0 00E+0 + +Am+3 - e- + 5 CO3-2 = Am(CO3)5-6 +# This reaction should be written with Am+4 + log_k -5.1 #03GUI/FAN + -analytic -51E-1 00E+0 00E+0 00E+0 00E+0 + +Am+3 + Edta-4 = Am(Edta)- + log_k 19.67 #05HUM/AND + delta_h -10.6 #kJ/mol 05HUM/AND +# Enthalpy of formation: -2332.100 kJ/mol + -analytic 17.81296E+0 00E+0 55.36766E+1 00E+0 00E+0 + +Am+3 + H2(PO4)- = Am(H2PO4)+2 + log_k 2.46 #20GRE/GAO + -analytic 24.6E-1 00E+0 00E+0 00E+0 00E+0 + +H+ + Am+3 + Cit-3 = Am(HCit)+ + log_k 12.86 #05HUM/AND + -analytic 12.86E+0 00E+0 00E+0 00E+0 00E+0 + +2 H+ + Am+3 + 2 Cit-3 = Am(HCit)2- + log_k 23.52 #05HUM/AND + -analytic 23.52E+0 00E+0 00E+0 00E+0 00E+0 + +H+ + Am+3 + CO3-2 = Am(HCO3)+2 + log_k 13.43 #03GUI/FAN + -analytic 13.43E+0 00E+0 00E+0 00E+0 00E+0 + +H+ + Am+3 + Edta-4 = Am(HEdta) + log_k 21.84 #05HUM/AND + -analytic 21.84E+0 00E+0 00E+0 00E+0 00E+0 + +- H+ + Am+3 + H2(PO4)- = Am(HPO4)+ + log_k -1.74 #Estimated by correlation with An(III) in function of ionic radii. + -analytic -17.4E-1 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + Am+3 + 2 H2(PO4)- = Am(HPO4)2- + log_k -5.3 #Estimated by correlation with An(III) in function of ionic radii. + -analytic -53E-1 00E+0 00E+0 00E+0 00E+0 + +Am+3 + NO3- = Am(NO3)+2 + log_k 1.28 #20GRE/GAO + delta_h 1.8 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -821.750 kJ/mol + -analytic 15.95346E-1 00E+0 -94.02055E+0 00E+0 00E+0 + +Am+3 + 2 NO3- = Am(NO3)2+ + log_k 0.88 #20GRE/GAO + delta_h 10.8 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -1019.600 kJ/mol + -analytic 27.72079E-1 00E+0 -56.41233E+1 00E+0 00E+0 + +Am+3 + Nta-3 = Am(Nta) + log_k 13 #95AKR/BOU + -analytic 13E+0 00E+0 00E+0 00E+0 00E+0 + +- H+ + Am+3 + H2O = Am(OH)+2 + log_k -7.2 #03GUI/FAN, 88STA/KIM1, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE + delta_h 41.492 #kJ/mol +# Enthalpy of formation: -861.038 kJ/mol + -analytic 69.08637E-3 00E+0 -21.67278E+2 00E+0 00E+0 + +- 2 H+ + Am+3 + HGlu- + 2 H2O = Am(OH)2(HGlu) + log_k -10.97 #Analogy with Pu(OH)2(HIsa)(aq) + -analytic -10.97E+0 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + Am+3 + HIsa- + 2 H2O = Am(OH)2(HIsa) + log_k -10.97 #Analogy with Pu(OH)2(HIsa)(aq) + -analytic -10.97E+0 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + Am+3 + 2 H2O = Am(OH)2+ + log_k -15.1 #03GUI/FAN, 88STA/KIM1, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE + delta_h 94.628 #kJ/mol +# Enthalpy of formation: -1093.732 kJ/mol + -analytic 14.78114E-1 00E+0 -49.42765E+2 00E+0 00E+0 + +- 3 H+ + Am+3 + 3 H2O = Am(OH)3 + log_k -26.2 #03GUI/FAN, 88STA/KIM1, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE + delta_h 156.808 #kJ/mol +# Enthalpy of formation: -1317.382 kJ/mol + -analytic 12.71582E-1 00E+0 -81.90652E+2 00E+0 00E+0 + +Am+3 + Ox-2 = Am(Ox)+ + log_k 6.51 #05HUM/AND + -analytic 65.1E-1 00E+0 00E+0 00E+0 00E+0 + +Am+3 + 2 Ox-2 = Am(Ox)2- + log_k 10.71 #05HUM/AND + -analytic 10.71E+0 00E+0 00E+0 00E+0 00E+0 + +Am+3 + 3 Ox-2 = Am(Ox)3-3 + log_k 13 #05HUM/AND + -analytic 13E+0 00E+0 00E+0 00E+0 00E+0 + +Am+3 + Phthalat-2 = Am(Phthalat)+ + log_k 4.93 #In analogy with Cm + -analytic 49.3E-1 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + Am+3 + H2(PO4)- = Am(PO4) + log_k -7.76 #1. Estimated by correlation with An(III) in function of ionic radii + -analytic -77.6E-1 00E+0 00E+0 00E+0 00E+0 + +- 4 H+ + Am+3 + 2 H2(PO4)- = Am(PO4)2-3 + log_k -19.41 #Estimated by correlation with An(III) in function of ionic radii. + -analytic -19.41E+0 00E+0 00E+0 00E+0 00E+0 + +Am+3 + SO4-2 = Am(SO4)+ + log_k 3.5 #20GRE/GAO + delta_h 40 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -1486.040 kJ/mol + -analytic 10.5077E+0 00E+0 -20.89346E+2 00E+0 00E+0 + +Am+3 + 2 SO4-2 = Am(SO4)2- + log_k 5 #20GRE/GAO + delta_h 70 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -2365.380 kJ/mol + -analytic 17.26347E+0 00E+0 -36.56355E+2 00E+0 00E+0 + +Am+3 + Cl- = AmCl+2 + log_k 0.24 #20GRE/GAO + delta_h 19.39 #kJ/mol 00YEH/MAD +# Enthalpy of formation: -764.390 kJ/mol + -analytic 36.36982E-1 00E+0 -10.1281E+2 00E+0 00E+0 + +Am+3 + 2 Cl- = AmCl2+ + log_k -0.81 #20GRE/GAO + delta_h 54.9 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -895.960 kJ/mol + -analytic 88.08067E-1 00E+0 -28.67627E+2 00E+0 00E+0 + +Am+3 + F- = AmF+2 + log_k 3.4 #20GRE/GAO + delta_h 12.1 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -939.950 kJ/mol + -analytic 55.19829E-1 00E+0 -63.2027E+1 00E+0 00E+0 + +Am+3 + 2 F- = AmF2+ + log_k 5.8 #20GRE/GAO + delta_h 45.1 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -1242.300 kJ/mol + -analytic 13.70118E+0 00E+0 -23.55737E+2 00E+0 00E+0 + +Am+3 + 3 F- = AmF3 + log_k 10.82 #69AZI/LYL + delta_h 20.407 #kJ/mol +# Enthalpy of formation: -1602.342 kJ/mol + -analytic 14.39515E+0 00E+0 -10.65932E+2 00E+0 00E+0 + +AmO2+ + CO3-2 = AmO2(CO3)- + log_k 5.1 #03GUI/FAN + -analytic 51E-1 00E+0 00E+0 00E+0 00E+0 + +AmO2+ + 2 CO3-2 = AmO2(CO3)2-3 + log_k 6.7 #03GUI/FAN + -analytic 67E-1 00E+0 00E+0 00E+0 00E+0 + +AmO2+ + 3 CO3-2 = AmO2(CO3)3-5 + log_k 5.1 #03GUI/FAN + -analytic 51E-1 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + AmO2+ + 2 H2O = AmO2(OH)2- + log_k -23.6 #03GUI/FAN + -analytic -23.6E+0 00E+0 00E+0 00E+0 00E+0 + +- H+ + AmO2+ + H2O = AmO2OH + log_k -11.3 #03GUI/FAN + -analytic -11.3E+0 00E+0 00E+0 00E+0 00E+0 + +- H+ + Am+3 + H4(SiO4) = AmSiO(OH)3+2 + log_k -2.31 #Original data 07THA/SIN, 05PAN/KIM and 97STE/FAN + delta_h 47.963 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -2029.931 kJ/mol + -analytic 60.92757E-1 00E+0 -25.05282E+2 00E+0 00E+0 + +- 3 H+ + H3(AsO3) = AsO3-3 + log_k -38.59 #79IVA/VOR + -analytic -38.59E+0 00E+0 00E+0 00E+0 00E+0 + +H+ + B(OH)4- - H2O = B(OH)3 + log_k 9.24 + delta_h -13.514 #kJ/mol +# Enthalpy of formation: -1072.800 kJ/mol 01LEM/FUG + -analytic 68.72449E-1 00E+0 70.58854E+1 00E+0 00E+0 + +2 H+ + 3 B(OH)4- - 7 H2O = B3O5- + log_k 20.9 #97CRO + -analytic 20.9E+0 00E+0 00E+0 00E+0 00E+0 + +2 H+ + 4 B(OH)4- - 9 H2O = B4O7-2 + log_k 21.9 #97CRO + -analytic 21.9E+0 00E+0 00E+0 00E+0 00E+0 + +Ba+2 + CO3-2 = Ba(CO3) + log_k 2.71 #86BUS/PLU + delta_h 14.841 #kJ/mol 86BUS/PLU +# Enthalpy of formation: -1195.189 kJ/mol + -analytic 53.10032E-1 00E+0 -77.51994E+1 00E+0 00E+0 + +Ba+2 + H+ + CO3-2 = Ba(HCO3)+ + log_k 11.31 #86BUS/PLU + delta_h 8.56 #kJ/mol 86BUS/PLU +# Enthalpy of formation: -1201.470 kJ/mol + -analytic 12.80965E+0 00E+0 -44.71199E+1 00E+0 00E+0 + +Ba+2 + NO3- = Ba(NO3)+ + log_k -0.31 + delta_h 6.819 #kJ/mol +# Enthalpy of formation: -734.831 kJ/mol + -analytic 88.46375E-2 00E+0 -35.61812E+1 00E+0 00E+0 + +Ba+2 - H+ + H2O = Ba(OH)+ + log_k -13.47 #76BAE/MES + delta_h 87.397 #kJ/mol +# Enthalpy of formation: -733.233 kJ/mol + -analytic 18.41297E-1 00E+0 -45.65063E+2 00E+0 00E+0 + +Ba+2 + SO4-2 = Ba(SO4) + log_k 2.7 #76SMI/MAR; Uncertainty to include available data. + delta_h 7.367 #kJ/mol +# Enthalpy of formation: -1436.772 kJ/mol + -analytic 39.90643E-1 00E+0 -38.48052E+1 00E+0 00E+0 + +2 Ba+2 + UO2+2 + 3 CO3-2 = Ba2UO2(CO3)3 + log_k 29.75 #06DON/BRO + -analytic 29.75E+0 00E+0 00E+0 00E+0 00E+0 + +Ba+2 + B(OH)4- = BaB(OH)4+ + log_k 1.49 #80BAS + -analytic 14.9E-1 00E+0 00E+0 00E+0 00E+0 + +Ba+2 + F- = BaF+ + log_k 0.4 + delta_h 6.698 #kJ/mol +# Enthalpy of formation: -863.452 kJ/mol 97SVE/SHO + -analytic 15.73439E-1 00E+0 -34.98609E+1 00E+0 00E+0 + +Ba+2 + UO2+2 + 3 CO3-2 = BaUO2(CO3)3-2 + log_k 25.6 #20GRE/GAO + -analytic 25.6E+0 00E+0 00E+0 00E+0 00E+0 + +- H+ + CO3-2 + H2O + Be+2 = Be(OH)(CO3)- + log_k 1.85 #87BRU/GRE + -analytic 18.5E-1 00E+0 00E+0 00E+0 00E+0 + +- H+ + H2O + Be+2 = Be(OH)+ + log_k -5.49 #17CAM/COL + -analytic -54.9E-1 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + 2 H2O + Be+2 = Be(OH)2 + log_k -13.7 #20ÇEV/GAO + -analytic -13.7E+0 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + CO3-2 + 2 H2O + Be+2 = Be(OH)2(CO3)-2 + log_k -6.04 #87BRU/GRE + -analytic -60.4E-1 00E+0 00E+0 00E+0 00E+0 + +- 3 H+ + 3 H2O + Be+2 = Be(OH)3- + log_k -24.3 #20ÇEV/GAO + -analytic -24.3E+0 00E+0 00E+0 00E+0 00E+0 + +- 4 H+ + 4 H2O + Be+2 = Be(OH)4-2 + log_k -37.6 #20ÇEV/GAO + -analytic -37.6E+0 00E+0 00E+0 00E+0 00E+0 + +2 SO4-2 + Be+2 = Be(SO4)2-2 + log_k 3.35 #67SEI/SAK + -analytic 33.5E-1 00E+0 00E+0 00E+0 00E+0 + +3 SO4-2 + Be+2 = Be(SO4)3-4 + log_k 4.58 #67SEI/SAK + -analytic 45.8E-1 00E+0 00E+0 00E+0 00E+0 + +- H+ + H2O + 2 Be+2 = Be2(OH)+3 + log_k -3.47 #87BRU + delta_h 20.42 #kJ/mol 67MES/BAE +# Enthalpy of formation: -1031.010 kJ/mol + -analytic 10.74304E-2 00E+0 -10.66611E+2 00E+0 00E+0 + +- H+ + CO3-2 + H2O + 3 Be+2 = Be3(OH)(CO3)+3 + log_k 9.47 #87BRU/GRE + -analytic 94.7E-1 00E+0 00E+0 00E+0 00E+0 + +- 3 H+ + 3 CO3-2 + 3 H2O + 3 Be+2 = Be3(OH)3(CO3)3-3 + log_k 9.04 #87BRU/GRE + -analytic 90.4E-1 00E+0 00E+0 00E+0 00E+0 + +- 3 H+ + 3 H2O + 3 Be+2 = Be3(OH)3+3 + log_k -8.86 #87BRU + delta_h 66.944 #kJ/mol 67MES/BAE +# Enthalpy of formation: -1938.946 kJ/mol + -analytic 28.68085E-1 00E+0 -34.96729E+2 00E+0 00E+0 + +- 4 H+ + 3 CO3-2 + 4 H2O + 3 Be+2 = Be3(OH)4(CO3)3-4 + log_k 1.06 #87BRU/GRE + -analytic 10.6E-1 00E+0 00E+0 00E+0 00E+0 + +- 4 H+ + CO3-2 + 4 H2O + 5 Be+2 = Be5(OH)4(CO3)+4 + log_k 1.16 #87BRU/GREa + -analytic 11.6E-1 00E+0 00E+0 00E+0 00E+0 + +- 6 H+ + 6 H2O + 5 Be+2 = Be5(OH)6+4 + log_k -19.5 #87BRU + -analytic -19.5E+0 00E+0 00E+0 00E+0 00E+0 + +- 5 H+ + 2 CO3-2 + 5 H2O + 6 Be+2 = Be6(OH)5(CO3)2+3 + log_k 8.91 #87BRU/GREa + -analytic 89.1E-1 00E+0 00E+0 00E+0 00E+0 + +- 8 H+ + 8 H2O + 6 Be+2 = Be6(OH)8+4 + log_k -26.3 #87BRU + -analytic -26.3E+0 00E+0 00E+0 00E+0 00E+0 + +Cl- + Be+2 = BeCl+ + log_k 0.19 #65MOR/JON + -analytic 19E-2 00E+0 00E+0 00E+0 00E+0 + +CO3-2 + Be+2 = BeCO3 + log_k 8.57 #87BRU/GRE + -analytic 85.7E-1 00E+0 00E+0 00E+0 00E+0 + +F- + Be+2 = BeF+ + log_k 5.52 #69MES/BAE + delta_h -1.464 #kJ/mol 69MES/BAE +# Enthalpy of formation: -719.614 kJ/mol + -analytic 52.63518E-1 00E+0 76.47005E+0 00E+0 00E+0 + +2 F- + Be+2 = BeF2 + log_k 9.67 #69MES/BAE + delta_h -6.318 #kJ/mol 69MES/BAE +# Enthalpy of formation: -1059.818 kJ/mol + -analytic 85.63134E-1 00E+0 33.00121E+1 00E+0 00E+0 + +3 F- + Be+2 = BeF3- + log_k 12.44 #69MES/BAE + delta_h -7.531 #kJ/mol 69MES/BAE +# Enthalpy of formation: -1396.381 kJ/mol + -analytic 11.12063E+0 00E+0 39.33715E+1 00E+0 00E+0 + +4 F- + Be+2 = BeF4-2 + log_k 13.44 #69MES/BAE + delta_h -9.456 #kJ/mol 69MES/BAE +# Enthalpy of formation: -1733.656 kJ/mol + -analytic 11.78338E+0 00E+0 49.39213E+1 00E+0 00E+0 + +SO4-2 + Be+2 = BeSO4 + log_k 2.03 #62BEL/KOL + -analytic 20.3E-1 00E+0 00E+0 00E+0 00E+0 + +H+ + F- + B(OH)4- - H2O = BF(OH)3- + log_k 8.94 #77NOR/JEN + delta_h -39.078 #kJ/mol 77NOR/JEN +# Enthalpy of formation: -1433.714 kJ/mol + -analytic 20.93828E-1 00E+0 20.41186E+2 00E+0 00E+0 + +2 H+ + 2 F- + B(OH)4- - 2 H2O = BF2(OH)2- + log_k 16.97 #77NOR/JEN + delta_h -38.702 #kJ/mol 77NOR/JEN +# Enthalpy of formation: -1482.858 kJ/mol + -analytic 10.1897E+0 00E+0 20.21546E+2 00E+0 00E+0 + +3 H+ + 3 F- + B(OH)4- - 3 H2O = BF3(OH)- + log_k 23.01 #77NOR/JEN + delta_h -38.326 #kJ/mol 77NOR/JEN +# Enthalpy of formation: -1532.002 kJ/mol + -analytic 16.29557E+0 00E+0 20.01906E+2 00E+0 00E+0 + +4 H+ + 4 F- + B(OH)4- - 4 H2O = BF4- + log_k 29.62 #77NOR/JEN + delta_h 73.68 #kJ/mol 77NOR/JEN +# Enthalpy of formation: -1469.516 kJ/mol + -analytic 42.52818E+0 00E+0 -38.48574E+2 00E+0 00E+0 + +Ca+2 + Acetate- = Ca(Acetate)+ + log_k 1.12 #95DER/DIG + delta_h 0.143 #kJ/mol +# Enthalpy of formation: -1028.867 kJ/mol + -analytic 11.45053E-1 00E+0 -74.6941E-1 00E+0 00E+0 + +Ca+2 + Adipate-2 = Ca(Adipate) + log_k 2.19 #04MAR/SMI from 40TOP/DAV + -analytic 21.9E-1 00E+0 00E+0 00E+0 00E+0 + +Ca+2 - 3 H+ + Am+3 + 3 H2O = Ca(Am(OH)3)+2 + log_k -26.3 #07RAB/ALT + -analytic -26.3E+0 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + AsO4-3 = Ca(AsO4)- + log_k 5.77 #10MAR/ACC + -analytic 57.7E-1 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + Cit-3 = Ca(Cit)- + log_k 4.8 #05HUM/AND + delta_h 0 #kJ/mol 05HUM/AND +# Enthalpy of formation: -2062.920 kJ/mol + -analytic 48E-1 00E+0 00E+0 00E+0 00E+0 + +Ca+2 - 3 H+ + Cm+3 + 3 H2O = Ca(Cm(OH)3)+2 + log_k -26.3 #07RAB/ALT + -analytic -26.3E+0 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + Edta-4 = Ca(Edta)-2 + log_k 12.69 #05HUM/AND + delta_h -22.2 #kJ/mol 05HUM/AND +# Enthalpy of formation: -2270.000 kJ/mol + -analytic 88.00727E-1 00E+0 11.59587E+2 00E+0 00E+0 + +Ca+2 + Eu+3 - 3 H+ + 3 H2O = Ca(Eu(OH)3)+2 + log_k -26.3 #07RAB/ALT + -analytic -26.3E+0 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + 2 H+ + AsO4-3 = Ca(H2AsO4)+ + log_k 19.87 #10MAR/ACC + -analytic 19.87E+0 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + 2 H+ + Cit-3 = Ca(H2Cit)+ + log_k 12.67 #05HUM/AND + -analytic 12.67E+0 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + H2(PO4)- = Ca(H2PO4)+ + log_k 1.41 #68CHU/MAR + delta_h 14.226 #kJ/mol 68CHU/MAR +# Enthalpy of formation: -1831.374 kJ/mol + -analytic 39.02288E-1 00E+0 -74.30757E+1 00E+0 00E+0 + +Ca+2 - H+ + H4(SiO4) = Ca(H3SiO4)+ + log_k -8.83 #97SVE/SHO + delta_h 31.633 #kJ/mol +# Enthalpy of formation: -1972.561 kJ/mol + -analytic -32.88136E-1 00E+0 -16.52307E+2 00E+0 00E+0 + +Ca+2 + H+ + AsO4-3 = Ca(HAsO4) + log_k 13.9 #10MAR/ACC + -analytic 13.9E+0 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + H+ + Cit-3 = Ca(HCit) + log_k 9.28 #05HUM/AND + -analytic 92.8E-1 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + H+ + CO3-2 = Ca(HCO3)+ + log_k 11.43 #96BOU1 + delta_h -23.595 #kJ/mol +# Enthalpy of formation: -1241.826 kJ/mol + -analytic 72.96333E-1 00E+0 12.32453E+2 00E+0 00E+0 + +Ca+2 + H+ + Edta-4 = Ca(HEdta)- + log_k 16.23 #05HUM/AND + -analytic 16.23E+0 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + HGlu- = Ca(HGlu)+ + log_k 1.73 #52SCH/LIN + -analytic 17.3E-1 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + HIsa- = Ca(HIsa)+ + log_k 1.7 #05HUM/AND + -analytic 17E-1 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + H+ + Malonate-2 = Ca(HMalonate)+ + log_k 6.64 #13GRI/CAM + -analytic 66.4E-1 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + H+ + Nta-3 = Ca(HNta) + log_k 13.4 #95AKR/BOU + -analytic 13.4E+0 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + 2 H+ + 2 Nta-3 = Ca(HNta)2-2 + log_k 23.63 #95AKR/BOU + -analytic 23.63E+0 00E+0 00E+0 00E+0 00E+0 + +Ca+2 - 3 H+ + Ho+3 + 3 H2O = Ca(Ho(OH)3)+2 + log_k -26.3 #07RAB/ALT + -analytic -26.3E+0 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + H+ + Phthalat-2 = Ca(HPhthalat)+ + log_k 6.42 #85DAN/DER + -analytic 64.2E-1 00E+0 00E+0 00E+0 00E+0 + +Ca+2 - H+ + H2(PO4)- = Ca(HPO4) + log_k -4.47 #68CHU/MAR + delta_h 17.407 #kJ/mol 68CHU/MAR +# Enthalpy of formation: -1828.193 kJ/mol + -analytic -14.20425E-1 00E+0 -90.92309E+1 00E+0 00E+0 + +Ca+2 + H+ + Pyrophos-4 = Ca(HPyrophos)- + log_k 13.8 #88CHA/NEW + -analytic 13.8E+0 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + H+ + Succinat-2 = Ca(HSuccinat)+ + log_k 6.79 #13GRI/CAM + -analytic 67.9E-1 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + IO3- = Ca(IO3)+ + log_k 0.4 #estimation NEA87 08/2/95 + -analytic 40E-2 00E+0 00E+0 00E+0 00E+0 + +Ca+2 - H+ + HIsa- = Ca(Isa) + log_k -10.4 #05HUM/AND + -analytic -10.4E+0 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + Malonate-2 = Ca(Malonate) + log_k 2.43 #13GRI/CAM + -analytic 24.3E-1 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + NH3 = Ca(NH3)+2 + log_k -0.1 #88CHA/NEW + -analytic -10E-2 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + 2 NH3 = Ca(NH3)2+2 + log_k -0.7 #88CHA/NEW + -analytic -70E-2 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + 3 NH3 = Ca(NH3)3+2 + log_k -1.5 #88CHA/NEW + -analytic -15E-1 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + 4 NH3 = Ca(NH3)4+2 + log_k -2.6 #88CHA/NEW + -analytic -26E-1 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + NpO2+ - 2 H+ + 2 H2O = Ca(NpO2(OH)2)+ + log_k -20.6 #20GRE/GAO + -analytic -20.6E+0 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + Nta-3 = Ca(Nta)- + log_k 7.73 #95AKR/BOU + -analytic 77.3E-1 00E+0 00E+0 00E+0 00E+0 + +Ca+2 - H+ + HGlu- + H2O = Ca(OH)(HGlu) + log_k -10.4 #02TIT/WIE + -analytic -10.4E+0 00E+0 00E+0 00E+0 00E+0 + +Ca+2 - H+ + H2O = Ca(OH)+ + log_k -12.78 #87GAR/PAR + delta_h 77.207 #kJ/mol +# Enthalpy of formation: -751.623 kJ/mol + -analytic 74.60858E-2 00E+0 -40.32802E+2 00E+0 00E+0 + +Ca+2 + Ox-2 = Ca(Ox) + log_k 3.19 #05HUM/AND + delta_h 6.811 #kJ/mol +# Enthalpy of formation: -1366.849 kJ/mol + -analytic 43.83236E-1 00E+0 -35.57633E+1 00E+0 00E+0 + +Ca+2 + 2 Ox-2 = Ca(Ox)2-2 + log_k 4.02 #05HUM/AND + -analytic 40.2E-1 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + Phthalat-2 = Ca(Phthalat) + log_k 2.49 #85DAN/DER + -analytic 24.9E-1 00E+0 00E+0 00E+0 00E+0 + +Ca+2 - 2 H+ + H2(PO4)- = Ca(PO4)- + log_k -13.1 #68CHU/MAR + delta_h 31.17 #kJ/mol 68CHU/MAR +# Enthalpy of formation: -1814.430 kJ/mol + -analytic -76.3925E-1 00E+0 -16.28122E+2 00E+0 00E+0 + +Ca+2 + Pyrophos-4 = Ca(Pyrophos)-2 + log_k 7.5 #88CHA/NEW + -analytic 75E-1 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + S2O3-2 = Ca(S2O3) + log_k 1.35 + delta_h 3.786 #kJ/mol +# Enthalpy of formation: -1191.500 kJ/mol 03-91 MINTEQL-PSI + -analytic 20.13279E-1 00E+0 -19.77566E+1 00E+0 00E+0 + +Ca+2 + SeO4-2 = Ca(SeO4) + log_k 2 #05OLI/NOL + delta_h 1.475 #kJ/mol +# Enthalpy of formation: -1145.025 kJ/mol + -analytic 22.58409E-1 00E+0 -77.04462E+0 00E+0 00E+0 + +Ca+2 + Sm+3 - 3 H+ + 3 H2O = Ca(Sm(OH)3)+2 + log_k -26.3 #07RAB/ALT + -analytic -26.3E+0 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + SO4-2 = Ca(SO4) + log_k 2.31 #53BEL/GEO + delta_h 4.292 #kJ/mol +# Enthalpy of formation: -1448.047 kJ/mol + -analytic 30.61926E-1 00E+0 -22.41868E+1 00E+0 00E+0 + +Ca+2 + Succinat-2 = Ca(Succinat) + log_k 2.34 #13GRI/CAM + -analytic 23.4E-1 00E+0 00E+0 00E+0 00E+0 + +2 Ca+2 - 4 H+ + Am+3 + 4 H2O = Ca2(Am(OH)4)+3 + log_k -37.2 #07RAB/ALT + -analytic -37.2E+0 00E+0 00E+0 00E+0 00E+0 + +2 Ca+2 - 4 H+ + Cm+3 + 4 H2O = Ca2(Cm(OH)4)+3 + log_k -37.2 #07RAB/ALT + -analytic -37.2E+0 00E+0 00E+0 00E+0 00E+0 + +2 Ca+2 + Eu+3 - 4 H+ + 4 H2O = Ca2(Eu(OH)4)+3 + log_k -37.2 #07RAB/ALT + -analytic -37.2E+0 00E+0 00E+0 00E+0 00E+0 + +2 Ca+2 - 4 H+ + Ho+3 + 4 H2O = Ca2(Ho(OH)4)+3 + log_k -37.2 #07RAB/ALT + -analytic -37.2E+0 00E+0 00E+0 00E+0 00E+0 + +2 Ca+2 + Sm+3 - 4 H+ + 4 H2O = Ca2(Sm(OH)4)+3 + log_k -37.2 #07RAB/ALT + -analytic -37.2E+0 00E+0 00E+0 00E+0 00E+0 + +2 Ca+2 + UO2+2 + 3 CO3-2 = Ca2UO2(CO3)3 + log_k 30.8 #20GRE/GAO + delta_h -47 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -4177.690 kJ/mol + -analytic 22.56595E+0 00E+0 24.54981E+2 00E+0 00E+0 + +3 Ca+2 - 6 H+ + Am+3 + 6 H2O = Ca3(Am(OH)6)+3 + log_k -60.7 #07RAB/ALT + -analytic -60.7E+0 00E+0 00E+0 00E+0 00E+0 + +3 Ca+2 - 6 H+ + Cm+3 + 6 H2O = Ca3(Cm(OH)6)+3 + log_k -60.7 #07RAB/ALT + -analytic -60.7E+0 00E+0 00E+0 00E+0 00E+0 + +3 Ca+2 + Eu+3 - 6 H+ + 6 H2O = Ca3(Eu(OH)6)+3 + log_k -60.7 #07RAB/ALT + -analytic -60.7E+0 00E+0 00E+0 00E+0 00E+0 + +3 Ca+2 - 6 H+ + Ho+3 + 6 H2O = Ca3(Ho(OH)6)+3 + log_k -60.7 #07RAB/ALT + -analytic -60.7E+0 00E+0 00E+0 00E+0 00E+0 + +3 Ca+2 + NpO2+ - 5 H+ + 5 H2O = Ca3(NpO2(OH)5)+2 + log_k -54.8 #20GRE/GAO + -analytic -54.8E+0 00E+0 00E+0 00E+0 00E+0 + +3 Ca+2 + Sm+3 - 6 H+ + 6 H2O = Ca3(Sm(OH)6)+3 + log_k -60.7 #07RAB/ALT + -analytic -60.7E+0 00E+0 00E+0 00E+0 00E+0 + +4 Ca+2 + Pu+4 - 8 H+ + 8 H2O = Ca4Pu(OH)8+4 + log_k -56.97 #20GRE/GAO + -analytic -56.97E+0 00E+0 00E+0 00E+0 00E+0 + +4 Ca+2 + Th+4 - 8 H+ + 8 H2O = Ca4Th(OH)8+4 + log_k -63.1 #08ALT/NEC + -analytic -63.1E+0 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + B(OH)4- = CaB(OH)4+ + log_k 1.8 #97CRO + -analytic 18E-1 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + CO3-2 = CaCO3 + log_k 3.22 #96BOU1 + delta_h 14.83 #kJ/mol +# Enthalpy of formation: -1203.400 kJ/mol 96BOU1 + -analytic 58.18104E-1 00E+0 -77.46248E+1 00E+0 00E+0 + +Ca+2 + CrO4-2 = CaCrO4 + log_k 2.77 #00PER/PAL + -analytic 27.7E-1 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + F- = CaF+ + log_k 0.94 #96BOU + delta_h 17.238 #kJ/mol 96BOU +# Enthalpy of formation: -861.112 kJ/mol + -analytic 39.59968E-1 00E+0 -90.04034E+1 00E+0 00E+0 + +Ca+2 + I- = CaI+ + log_k 0.14 #92JOH/OEL + -analytic 14E-2 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + 2 I- = CaI2 + log_k -0.02 #92JOH/OEL + -analytic -20E-3 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + Pu+4 - 4 H+ + HIsa- + 4 H2O = CaPu(OH)4(HIsa)+ + log_k -1.66 #18TAS/GAO1 + -analytic -16.6E-1 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + Pu+4 - 5 H+ + HIsa- + 5 H2O = CaPu(OH)5(HIsa) + log_k -12.7 #18TAS/GAO1 + -analytic -12.7E+0 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + UO2+2 + 3 CO3-2 = CaUO2(CO3)3-2 + log_k 27 #20GRE/GAO + delta_h -47 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -3634.690 kJ/mol + -analytic 18.76595E+0 00E+0 24.54981E+2 00E+0 00E+0 + +Cd+2 + CO3-2 = Cd(CO3) + log_k 4.7 #91RAI/FEL1 + delta_h 4.299 #kJ/mol +# Enthalpy of formation: -746.851 kJ/mol + -analytic 54.53152E-1 00E+0 -22.45524E+1 00E+0 00E+0 + +Cd+2 + 2 CO3-2 = Cd(CO3)2-2 + log_k 6.5 #91RAI/FEL1 + -analytic 65E-1 00E+0 00E+0 00E+0 00E+0 + +Cd+2 + H2(PO4)- = Cd(H2PO4)+ + log_k 1.8 #01AYA/MAD + -analytic 18E-1 00E+0 00E+0 00E+0 00E+0 + +Cd+2 + H+ + CO3-2 = Cd(HCO3)+ + log_k 11.83 #93STI/PAR + -analytic 11.83E+0 00E+0 00E+0 00E+0 00E+0 + +Cd+2 + 2 HS- = Cd(HS)2 + log_k 14.43 #99WAN/TES + -analytic 14.43E+0 00E+0 00E+0 00E+0 00E+0 + +Cd+2 + NH3 = Cd(NH3)+2 + log_k 2.52 + -analytic 25.2E-1 00E+0 00E+0 00E+0 00E+0 + +Cd+2 + 2 NH3 = Cd(NH3)2+2 + log_k 4.87 + delta_h -27.965 #kJ/mol +# Enthalpy of formation: -266.225 kJ/mol + -analytic -29.2577E-3 00E+0 14.60714E+2 00E+0 00E+0 + +Cd+2 + 3 NH3 = Cd(NH3)3+2 + log_k 5.93 #ANDRA report (C RP 0ENQ 02-001, Interpolated + -analytic 59.3E-1 00E+0 00E+0 00E+0 00E+0 + +Cd+2 + 4 NH3 = Cd(NH3)4+2 + log_k 7.3 + delta_h -49.714 #kJ/mol +# Enthalpy of formation: -450.314 kJ/mol + -analytic -14.09519E-1 00E+0 25.96743E+2 00E+0 00E+0 + +Cd+2 + NO3- = Cd(NO3)+ + log_k 0.46 #74FED/ROB in 82HÖG + delta_h -21.757 #kJ/mol 74NAU/RYZ in 91BAL/NOR +# Enthalpy of formation: -304.527 kJ/mol + -analytic -33.51663E-1 00E+0 11.36447E+2 00E+0 00E+0 + +Cd+2 + 2 NO3- = Cd(NO3)2 + log_k 0.17 #97CRO + -analytic 17E-2 00E+0 00E+0 00E+0 00E+0 + +Cd+2 - H+ + H2O = Cd(OH)+ + log_k -10.08 #81BAE/MES + delta_h 54.81 #kJ/mol 81BAE/MES +# Enthalpy of formation: -306.940 kJ/mol + -analytic -47.77002E-2 00E+0 -28.62926E+2 00E+0 00E+0 + +Cd+2 - 2 H+ + 2 H2O = Cd(OH)2 + log_k -20.9 #91RAI/FEL1 + delta_h 114.9 #kJ/mol +# Enthalpy of formation: -532.680 kJ/mol + -analytic -77.03841E-2 00E+0 -60.01645E+2 00E+0 00E+0 + +Cd+2 - 3 H+ + 3 H2O = Cd(OH)3- + log_k -33.3 #81BAE/MES + delta_h 156.416 #kJ/mol +# Enthalpy of formation: -776.994 kJ/mol + -analytic -58.97093E-1 00E+0 -81.70177E+2 00E+0 00E+0 + +Cd+2 - 4 H+ + 4 H2O = Cd(OH)4-2 + log_k -47.48 #91RAI/FEL1 + delta_h 229.57 #kJ/mol +# Enthalpy of formation: -989.669 kJ/mol + -analytic -72.61062E-1 00E+0 -11.99128E+3 00E+0 00E+0 + +Cd+2 + Pyrophos-4 = Cd(Pyrophos)-2 + log_k 8.7 #92CLE/DER + -analytic 87E-1 00E+0 00E+0 00E+0 00E+0 + +Cd+2 + S2O3-2 = Cd(S2O3) + log_k 2.46 + delta_h 5.405 #kJ/mol +# Enthalpy of formation: -722.801 kJ/mol 74NAU/RYZ + -analytic 34.06915E-1 00E+0 -28.23228E+1 00E+0 00E+0 + +Cd+2 + SeO4-2 = Cd(SeO4) + log_k 2.27 #05OLI/NOL + delta_h 8.3 #kJ/mol 05OLI/NOL +# Enthalpy of formation: -671.120 kJ/mol + -analytic 37.24098E-1 00E+0 -43.35392E+1 00E+0 00E+0 + +Cd+2 + SO4-2 = Cd(SO4) + log_k 2.37 #97MAR/SMI + delta_h 8.7 #kJ/mol 97MAR/SMI +# Enthalpy of formation: -976.560 kJ/mol + -analytic 38.94175E-1 00E+0 -45.44326E+1 00E+0 00E+0 + +Cd+2 + 2 SO4-2 = Cd(SO4)2-2 + log_k 3.44 #76SMI/MAR + -analytic 34.4E-1 00E+0 00E+0 00E+0 00E+0 + +4 Cd+2 - 4 H+ + 4 H2O = Cd4(OH)4+4 + log_k -32.07 + delta_h 172.135 #kJ/mol +# Enthalpy of formation: -1274.865 kJ/mol 99YUN/GLU + -analytic -19.13243E-1 00E+0 -89.91237E+2 00E+0 00E+0 + +Cd+2 + Br- = CdBr+ + log_k 2.16 + delta_h -7.959 #kJ/mol +# Enthalpy of formation: -205.289 kJ/mol + -analytic 76.56431E-2 00E+0 41.57275E+1 00E+0 00E+0 + +Cd+2 + 2 Br- = CdBr2 + log_k 2.92 + delta_h -15.743 #kJ/mol +# Enthalpy of formation: -334.482 kJ/mol + -analytic 16.19448E-2 00E+0 82.23142E+1 00E+0 00E+0 + +Cd+2 + 3 Br- = CdBr3- + log_k 3.19 + delta_h -28.846 #kJ/mol +# Enthalpy of formation: -468.995 kJ/mol + -analytic -18.63602E-1 00E+0 15.06732E+2 00E+0 00E+0 + +Cd+2 + Cl- = CdCl+ + log_k 1.97 #76BAE/MES + delta_h -5.52 #kJ/mol +# Enthalpy of formation: -248.520 kJ/mol + -analytic 10.02938E-1 00E+0 28.83297E+1 00E+0 00E+0 + +Cd+2 + 2 Cl- = CdCl2 + log_k 2.59 #76BAE/MES + delta_h -14.068 #kJ/mol +# Enthalpy of formation: -424.148 kJ/mol + -analytic 12.53922E-2 00E+0 73.48228E+1 00E+0 00E+0 + +Cd+2 + 3 Cl- = CdCl3- + log_k 2.4 #76BAE/MES + delta_h -25.804 #kJ/mol +# Enthalpy of formation: -602.963 kJ/mol + -analytic -21.20667E-1 00E+0 13.47837E+2 00E+0 00E+0 + +Cd+2 + 4 Cl- = CdCl4-2 + log_k 1.47 #76BAE/MES + delta_h -44.765 #kJ/mol +# Enthalpy of formation: -789.004 kJ/mol + -analytic -63.72491E-1 00E+0 23.38239E+2 00E+0 00E+0 + +Cd+2 - H+ + H2(PO4)- = CdHPO4 + log_k -2.38 #01AYA/MAD + -analytic -23.8E-1 00E+0 00E+0 00E+0 00E+0 + +Cd+2 + HS- = CdHS+ + log_k 7.38 #99WAN/TES + -analytic 73.8E-1 00E+0 00E+0 00E+0 00E+0 + +Cd+2 + I- = CdI+ + log_k 2.09 + delta_h -8.739 #kJ/mol +# Enthalpy of formation: -141.439 kJ/mol + -analytic 55.89929E-2 00E+0 45.64698E+1 00E+0 00E+0 + +Cd+2 + 2 I- = CdI2 + log_k 3.53 + delta_h -18.988 #kJ/mol +# Enthalpy of formation: -208.468 kJ/mol + -analytic 20.34452E-2 00E+0 99.18123E+1 00E+0 00E+0 + +Cd+2 + 3 I- = CdI3- + log_k 4.64 + delta_h -38.648 #kJ/mol +# Enthalpy of formation: -284.907 kJ/mol + -analytic -21.30839E-1 00E+0 20.18726E+2 00E+0 00E+0 + +Cd+2 + 4 I- = CdI4-2 + log_k 5.48 + delta_h -75.61 #kJ/mol +# Enthalpy of formation: -378.649 kJ/mol + -analytic -77.66303E-1 00E+0 39.49385E+2 00E+0 00E+0 + +- H+ + CH4 = CH3- + log_k -46 #18BLA/BUR + -analytic -46E+0 00E+0 00E+0 00E+0 00E+0 + +- H+ + CH4 + Hg+2 = CH3Hg+ + log_k 3 #18BLA/BUR + -analytic 30E-1 00E+0 00E+0 00E+0 00E+0 + +- H+ + Cl- + CH4 + Hg+2 = CH3HgCl + log_k 8.45 #18BLA/BUR + -analytic 84.5E-1 00E+0 00E+0 00E+0 00E+0 + +- H+ + CO3-2 + CH4 + Hg+2 = CH3HgCO3- + log_k 9.1 #18BLA/BUR + -analytic 91E-1 00E+0 00E+0 00E+0 00E+0 + +CO3-2 + CH4 + Hg+2 = CH3HgHCO3 + log_k 15.93 #18BLA/BUR + -analytic 15.93E+0 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + CH4 + H2O + Hg+2 = CH3HgOH + log_k -1.53 #18BLA/BUR + -analytic -15.3E-1 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + HS- + CH4 + Hg+2 = CH3HgS- + log_k 7 #18BLA/BUR + -analytic 70E-1 00E+0 00E+0 00E+0 00E+0 + +- H+ + HS- + CH4 + Hg+2 = CH3HgSH + log_k 17.5 #18BLA/BUR + -analytic 17.5E+0 00E+0 00E+0 00E+0 00E+0 + +- H+ + SO4-2 + CH4 + Hg+2 = CH3HgSO4- + log_k 5.64 #18BLA/BUR + -analytic 56.4E-1 00E+0 00E+0 00E+0 00E+0 + +- 2 e- + 2 Cl- = Cl2 + log_k -47.21 + delta_h 310.76 #kJ/mol +# Enthalpy of formation: -23.400 kJ/mol 82WAG/EVA + -analytic 72.32815E-1 00E+0 -16.23213E+3 00E+0 00E+0 + +- 8 H+ - 8 e- + Cl- + 4 H2O = ClO4- + log_k -187.79 + delta_h 1182.3 #kJ/mol +# Enthalpy of formation: -128.100 kJ/mol 89COX/WAG + -analytic 19.34007E+0 00E+0 -61.75583E+3 00E+0 00E+0 + +Cm+3 + Acetate- = Cm(Acetate)+2 + log_k 3.01 #11RIC/GRI + -analytic 30.1E-1 00E+0 00E+0 00E+0 00E+0 + +Cm+3 + 2 Acetate- = Cm(Acetate)2+ + log_k 4.96 #12GRI/GAR2 + -analytic 49.6E-1 00E+0 00E+0 00E+0 00E+0 + +Cm+3 + 3 Acetate- = Cm(Acetate)3 + log_k 6.3 #69MOS + -analytic 63E-1 00E+0 00E+0 00E+0 00E+0 + +Cit-3 + Cm+3 = Cm(Cit) + log_k 8.55 #Analogy with Am + -analytic 85.5E-1 00E+0 00E+0 00E+0 00E+0 + +2 Cit-3 + Cm+3 = Cm(Cit)2-3 + log_k 13.9 #Analogy with Am + -analytic 13.9E+0 00E+0 00E+0 00E+0 00E+0 + +CO3-2 + Cm+3 = Cm(CO3)+ + log_k 7.9 #06DUR/CER + delta_h 16.981 #kJ/mol +# Enthalpy of formation: -1273.250 kJ/mol + -analytic 10.87494E+0 00E+0 -88.69794E+1 00E+0 00E+0 + +2 CO3-2 + Cm+3 = Cm(CO3)2- + log_k 12.6 #06DUR/CER + -analytic 12.6E+0 00E+0 00E+0 00E+0 00E+0 + +3 CO3-2 + Cm+3 = Cm(CO3)3-3 + log_k 14.6 #06DUR/CER + -analytic 14.6E+0 00E+0 00E+0 00E+0 00E+0 + +Edta-4 + Cm+3 = Cm(Edta)- + log_k 19.67 #Analogy with Am(Edta)- + -analytic 19.67E+0 00E+0 00E+0 00E+0 00E+0 + +H2(PO4)- + Cm+3 = Cm(H2PO4)+2 + log_k 2.46 #20GRE/GAO + -analytic 24.6E-1 00E+0 00E+0 00E+0 00E+0 + +H+ + Cit-3 + Cm+3 = Cm(HCit)+ + log_k 12.86 #Analogy with Am + -analytic 12.86E+0 00E+0 00E+0 00E+0 00E+0 + +2 H+ + 2 Cit-3 + Cm+3 = Cm(HCit)2- + log_k 23.52 #Analogy with Am + -analytic 23.52E+0 00E+0 00E+0 00E+0 00E+0 + +H+ + Edta-4 + Cm+3 = Cm(HEdta) + log_k 21.84 #Analogy with Am(HEdta) + -analytic 21.84E+0 00E+0 00E+0 00E+0 00E+0 + +- H+ + H2(PO4)- + Cm+3 = Cm(HPO4)+ + log_k -1.69 #Estimated by correlation with An(III) in function of ionic radii + -analytic -16.9E-1 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + 2 H2(PO4)- + Cm+3 = Cm(HPO4)2- + log_k -5.19 #Estimated by correlation with An(III) in function of ionic radii + -analytic -51.9E-1 00E+0 00E+0 00E+0 00E+0 + +NO3- + Cm+3 = Cm(NO3)+2 + log_k 1.28 #20GRE/GAO + delta_h 1.8 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -820.050 kJ/mol + -analytic 15.95346E-1 00E+0 -94.02055E+0 00E+0 00E+0 + +2 NO3- + Cm+3 = Cm(NO3)2+ + log_k 0.88 #20GRE/GAO + delta_h 10.8 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -1017.900 kJ/mol + -analytic 27.72079E-1 00E+0 -56.41233E+1 00E+0 00E+0 + +Nta-3 + Cm+3 = Cm(Nta) + log_k 13 #Analogy with Am(Nta)(aq) + -analytic 13E+0 00E+0 00E+0 00E+0 00E+0 + +- H+ + Cm+3 + H2O = Cm(OH)+2 + log_k -7.2 #03GUI/FAN + delta_h 38.51 #kJ/mol +# Enthalpy of formation: -862.320 kJ/mol + -analytic -45.33376E-2 00E+0 -20.11517E+2 00E+0 00E+0 + +- 2 H+ + HGlu- + Cm+3 + 2 H2O = Cm(OH)2(HGlu) + log_k -10.97 #Analogy with Pu(OH)2(HIsa)(aq) + -analytic -10.97E+0 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + HIsa- + Cm+3 + 2 H2O = Cm(OH)2(HIsa) + log_k -10.97 #Analogy with Pu(OH)2(HIsa)(aq) + -analytic -10.97E+0 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + Cm+3 + 2 H2O = Cm(OH)2+ + log_k -15.1 #03GUI/FAN + delta_h 91.646 #kJ/mol +# Enthalpy of formation: -1095.013 kJ/mol + -analytic 95.569E-2 00E+0 -47.87004E+2 00E+0 00E+0 + +- 3 H+ + Cm+3 + 3 H2O = Cm(OH)3 + log_k -26.2 #03GUI/FAN + delta_h 153.826 #kJ/mol +# Enthalpy of formation: -1318.663 kJ/mol + -analytic 74.91584E-2 00E+0 -80.34892E+2 00E+0 00E+0 + +Ox-2 + Cm+3 = Cm(Ox)+ + log_k 6.48 #95AKR/BOU + -analytic 64.8E-1 00E+0 00E+0 00E+0 00E+0 + +2 Ox-2 + Cm+3 = Cm(Ox)2- + log_k 10.4 #95AKR/BOU + -analytic 10.4E+0 00E+0 00E+0 00E+0 00E+0 + +3 Ox-2 + Cm+3 = Cm(Ox)3-3 + log_k 12.84 #95AKR/BOU + -analytic 12.84E+0 00E+0 00E+0 00E+0 00E+0 + +Cm+3 + Phthalat-2 = Cm(Phthalat)+ + log_k 4.93 #11GRI/COL2 from 95PAN/KLE + -analytic 49.3E-1 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + H2(PO4)- + Cm+3 = Cm(PO4) + log_k -7.65 #Estimated by correlation with An(III) in function of ionic radii. + -analytic -76.5E-1 00E+0 00E+0 00E+0 00E+0 + +- 4 H+ + 2 H2(PO4)- + Cm+3 = Cm(PO4)2-3 + log_k -19.2 #Estimated by correlation with An(III) in function of ionic radii + -analytic -19.2E+0 00E+0 00E+0 00E+0 00E+0 + +SO4-2 + Cm+3 = Cm(SO4)+ + log_k 3.5 #20GRE/GAO + delta_h 40 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -1484.340 kJ/mol + -analytic 10.5077E+0 00E+0 -20.89346E+2 00E+0 00E+0 + +2 SO4-2 + Cm+3 = Cm(SO4)2- + log_k 5 #20GRE/GAO + delta_h 70 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -2363.680 kJ/mol + -analytic 17.26347E+0 00E+0 -36.56355E+2 00E+0 00E+0 + +Cl- + Cm+3 = CmCl+2 + log_k 0.24 #20GRE/GAO + delta_h 44.483 #kJ/mol +# Enthalpy of formation: -737.597 kJ/mol + -analytic 80.33087E-1 00E+0 -23.23509E+2 00E+0 00E+0 + +2 Cl- + Cm+3 = CmCl2+ + log_k -0.81 #20GRE/GAO + delta_h 54.9 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -894.260 kJ/mol + -analytic 88.08067E-1 00E+0 -28.67627E+2 00E+0 00E+0 + +F- + Cm+3 = CmF+2 + log_k 3.4 #20GRE/GAO + delta_h 12.1 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -938.250 kJ/mol + -analytic 55.19829E-1 00E+0 -63.2027E+1 00E+0 00E+0 + +2 F- + Cm+3 = CmF2+ + log_k 5.8 #20GRE/GAO + delta_h 45.1 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -1240.600 kJ/mol + -analytic 13.70118E+0 00E+0 -23.55737E+2 00E+0 00E+0 + +3 F- + Cm+3 = CmF3 + log_k 11.18 #69AZI/LYL + delta_h 15.371 #kJ/mol +# Enthalpy of formation: -1605.678 kJ/mol + -analytic 13.87288E+0 00E+0 -80.28832E+1 00E+0 00E+0 + +H+ + CO3-2 + Cm+3 = CmHCO3+2 + log_k 13.43 #03GUI/FAN, same as Am + -analytic 13.43E+0 00E+0 00E+0 00E+0 00E+0 + +- H+ + H4(SiO4) + Cm+3 = CmSiO(OH)3+2 + log_k -2.31 #Original data 07THA/SIN, 05PAN/KIM and 97STE/FAN + delta_h 47.963 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -2028.231 kJ/mol + -analytic 60.92757E-1 00E+0 -25.05282E+2 00E+0 00E+0 + +4 H+ + 2 e- + CO3-2 - 2 H2O = CO + log_k 11.6 + delta_h -17.39 #kJ/mol +# Enthalpy of formation: -120.960 kJ/mol 82WAG/EVA + -analytic 85.53403E-1 00E+0 90.8343E+1 00E+0 00E+0 + +Co+2 + 2 HS- = Co(HS)2 + log_k 8.77 #66KHO; Uncertainty to include available data. + -analytic 87.7E-1 00E+0 00E+0 00E+0 00E+0 + +Co+2 - H+ + H2O = Co(OH)+ + log_k -9.23 #98PLY/ZHA1 + delta_h 45.962 #kJ/mol +# Enthalpy of formation: -297.468 kJ/mol + -analytic -11.77803E-1 00E+0 -24.00762E+2 00E+0 00E+0 + +Co+2 - 2 H+ + 2 H2O = Co(OH)2 + log_k -18.6 #98PLY/ZHA1 + delta_h 105.707 #kJ/mol +# Enthalpy of formation: -523.552 kJ/mol + -analytic -80.92855E-3 00E+0 -55.21461E+2 00E+0 00E+0 + +Co+2 - 3 H+ + 3 H2O = Co(OH)3- + log_k -31.7 #98PLY/ZHA1 + delta_h 160.297 #kJ/mol +# Enthalpy of formation: -754.792 kJ/mol + -analytic -36.17171E-1 00E+0 -83.72895E+2 00E+0 00E+0 + +Co+2 - 4 H+ + 4 H2O = Co(OH)4-2 + log_k -46.42 #98PLY/ZHA1 + delta_h 214.483 #kJ/mol +# Enthalpy of formation: -986.435 kJ/mol + -analytic -88.44191E-1 00E+0 -11.20323E+3 00E+0 00E+0 + +Co+2 + SeO4-2 = Co(SeO4) + log_k 2.7 #05OLI/NOL + delta_h -3.617 #kJ/mol +# Enthalpy of formation: -664.716 kJ/mol + -analytic 20.66329E-1 00E+0 18.89291E+1 00E+0 00E+0 + +2 H+ + CO3-2 - H2O = CO2 + log_k 16.68 + delta_h -23.86 #kJ/mol +# Enthalpy of formation: -413.260 kJ/mol 89COX/WAG + -analytic 12.49991E+0 00E+0 12.46295E+2 00E+0 00E+0 + +2 Co+2 - H+ + H2O = Co2(OH)+3 + log_k -9.83 #98PLY/ZHA1 + delta_h 30.03 #kJ/mol +# Enthalpy of formation: -371.000 kJ/mol 98PLY/ZHA1 + -analytic -45.6897E-1 00E+0 -15.68576E+2 00E+0 00E+0 + +4 Co+2 - 4 H+ + 4 H2O = Co4(OH)4+4 + log_k -29.88 #98PLY/ZHA1 + delta_h 149.72 #kJ/mol +# Enthalpy of formation: -1224.000 kJ/mol 98PLY/ZHA1 + -analytic -36.50182E-1 00E+0 -78.2042E+2 00E+0 00E+0 + +Co+2 + Cl- = CoCl+ + log_k 0.57 #81TUR/WHI; Uncertainty to include available data. + delta_h -2.18 #kJ/mol +# Enthalpy of formation: -226.859 kJ/mol + -analytic 18.80804E-2 00E+0 11.38693E+1 00E+0 00E+0 + +Co+2 + 2 Cl- = CoCl2 + log_k 0.02 #06BLA/IGN; Uncertainty from 89PAN/SUS + delta_h 4.074 #kJ/mol 06BLA/IGN +# Enthalpy of formation: -387.686 kJ/mol + -analytic 73.37342E-2 00E+0 -21.27998E+1 00E+0 00E+0 + +Co+2 + 3 Cl- = CoCl3- + log_k -1.71 #06BLA/IGN; Uncertainty 89PAN/SUS + delta_h 6.688 #kJ/mol 06BLA/IGN +# Enthalpy of formation: -552.152 kJ/mol + -analytic -53.83127E-2 00E+0 -34.93386E+1 00E+0 00E+0 + +Co+2 + 4 Cl- = CoCl4-2 + log_k -2.09 #06BLA/IGN + delta_h 22.57 #kJ/mol 06BLA/IGN +# Enthalpy of formation: -703.350 kJ/mol + -analytic 18.64094E-1 00E+0 -11.78913E+2 00E+0 00E+0 + +Co+2 + CO3-2 = CoCO3 + log_k 4.23 #97MAR/SMI; Uncertainty to include available data. + -analytic 42.3E-1 00E+0 00E+0 00E+0 00E+0 + +Co+2 + F- = CoF+ + log_k 1.5 #97MAR/SMI + delta_h -0.631 #kJ/mol +# Enthalpy of formation: -393.580 kJ/mol + -analytic 13.89454E-1 00E+0 32.95943E+0 00E+0 00E+0 + +Co+2 + H+ + CO3-2 = CoHCO3+ + log_k 12.22 #97MAR/SMI; Uncertainty to include available data. + -analytic 12.22E+0 00E+0 00E+0 00E+0 00E+0 + +Co+2 - H+ + H2(PO4)- = CoHPO4 + log_k -4.15 #97MAR/SMI; Uncertainty to include available data and is preliminary. + -analytic -41.5E-1 00E+0 00E+0 00E+0 00E+0 + +Co+2 + HS- = CoHS+ + log_k 5.67 #66KHO; Uncertainty to include available data. + -analytic 56.7E-1 00E+0 00E+0 00E+0 00E+0 + +Co+2 + S2O3-2 = CoS2O3 + log_k 2.05 #51DEN/MON + -analytic 20.5E-1 00E+0 00E+0 00E+0 00E+0 + +Co+2 + SO4-2 = CoSO4 + log_k 2.3 #97MAR/SMI; Uncertainty to include available data. + delta_h 2.092 #kJ/mol 74NAU/RYZ +# Enthalpy of formation: -964.848 kJ/mol + -analytic 26.66503E-1 00E+0 -10.92728E+1 00E+0 00E+0 + +H2(PO4)- + Cr+3 = Cr(H2PO4)+2 + log_k 2.56 #66LAH/ADI + -analytic 25.6E-1 00E+0 00E+0 00E+0 00E+0 + +- H+ + H2(PO4)- + Cr+3 = Cr(HPO4)+ + log_k 2.25 #76ALE/MAS + -analytic 22.5E-1 00E+0 00E+0 00E+0 00E+0 + +- H+ + 2 CO3-2 + Cr+3 + H2O = Cr(OH)(CO3)2-2 + log_k 9.73 #07RAI/MOO + -analytic 97.3E-1 00E+0 00E+0 00E+0 00E+0 + +- H+ + Cr+2 + H2O = Cr(OH)+ + log_k -5.3 #83MIC/DEB, 04CHI + delta_h 30.327 #kJ/mol +# Enthalpy of formation: -413.117 kJ/mol + -analytic 13.06233E-3 00E+0 -15.8409E+2 00E+0 00E+0 + +- H+ + Cr+3 + H2O = Cr(OH)+2 + log_k -3.42 #04RAI/MOO + delta_h 37.222 #kJ/mol +# Enthalpy of formation: -489.108 kJ/mol + -analytic 31.01014E-1 00E+0 -19.4424E+2 00E+0 00E+0 + +- 2 H+ + Cr+3 + 2 H2O = Cr(OH)2+ + log_k -8.9 #11GRI/COL4 + delta_h 93.198 #kJ/mol +# Enthalpy of formation: -718.961 kJ/mol + -analytic 74.27589E-1 00E+0 -48.68071E+2 00E+0 00E+0 + +- 3 H+ + Cr+3 + 3 H2O = Cr(OH)3 + log_k -14.34 #04RAI/MOO + delta_h 143.704 #kJ/mol +# Enthalpy of formation: -954.285 kJ/mol + -analytic 10.83586E+0 00E+0 -75.06183E+2 00E+0 00E+0 + +- 3 H+ + H2(PO4)- + Cr+3 + 3 H2O = Cr(OH)3(H2PO4)- + log_k -11.56 #04RAI/MOO + -analytic -11.56E+0 00E+0 00E+0 00E+0 00E+0 + +- 3 H+ + 2 H2(PO4)- + Cr+3 + 3 H2O = Cr(OH)3(H2PO4)2-2 + log_k -10.86 #04RAI/MOO + -analytic -10.86E+0 00E+0 00E+0 00E+0 00E+0 + +- 4 H+ + H2(PO4)- + Cr+3 + 3 H2O = Cr(OH)3(HPO4)-2 + log_k -19.58 #04RAI/MOO + -analytic -19.58E+0 00E+0 00E+0 00E+0 00E+0 + +- 5 H+ + H2(PO4)- + Cr+3 + 3 H2O = Cr(OH)3(PO4)-3 + log_k -30.24 #98ZIE/JON + -analytic -30.24E+0 00E+0 00E+0 00E+0 00E+0 + +- 4 H+ + Cr+3 + 4 H2O = Cr(OH)4- + log_k -25.86 #04RAI/MOO + delta_h 193.614 #kJ/mol +# Enthalpy of formation: -1190.205 kJ/mol + -analytic 80.59717E-1 00E+0 -10.11316E+3 00E+0 00E+0 + +- 4 H+ + CO3-2 + Cr+3 + 4 H2O = Cr(OH)4(CO3)-3 + log_k -25.69 #07RAI/MOO + -analytic -25.69E+0 00E+0 00E+0 00E+0 00E+0 + +- 5 H+ + 2 H2(PO4)- + Cr+3 + 4 H2O = Cr(OH)4(HPO4)(H2PO4)-4 + log_k -28.76 #98ZIE/JON + delta_h 14 #kJ/mol 98ZIE/JON +# Enthalpy of formation: -3975.020 kJ/mol + -analytic -26.30731E+0 00E+0 -73.12709E+1 00E+0 00E+0 + +- H+ + 2 Cl- + Cr+3 + H2O = Cr(OH)Cl2 + log_k -5.73 + delta_h 32.72 #kJ/mol +# Enthalpy of formation: -827.770 kJ/mol 76DEL/HEP + -analytic 22.97936E-4 00E+0 -17.09085E+2 00E+0 00E+0 + +- H+ + CO3-2 + Cr+3 + H2O = Cr(OH)CO3 + log_k 4 #07RAI/MOO + -analytic 40E-1 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + 2 Cr+3 + 2 H2O = Cr2(OH)2+4 + log_k -4 #11GRI/COL4 + -analytic -40E-1 00E+0 00E+0 00E+0 00E+0 + +2 H+ + 2 CrO4-2 - H2O = Cr2O7-2 + log_k 14.75 #87PAL/WES, 04CHI + delta_h -3.752 #kJ/mol +# Enthalpy of formation: -1475.923 kJ/mol + -analytic 14.09268E+0 00E+0 19.59806E+1 00E+0 00E+0 + +- 4 H+ + 3 Cr+3 + 4 H2O = Cr3(OH)4+5 + log_k -7.6 #11GRI/COL4 + -analytic -76E-1 00E+0 00E+0 00E+0 00E+0 + +Br- + Cr+3 = CrBr+2 + log_k -0.62 + delta_h 22.588 #kJ/mol +# Enthalpy of formation: -339.322 kJ/mol 76DEL/HEP + -analytic 33.37248E-1 00E+0 -11.79853E+2 00E+0 00E+0 + +Cl- + Cr+2 = CrCl+ + log_k 5.6 #91ALL/BRO + delta_h -20.2 #kJ/mol 91ALL/BRO +# Enthalpy of formation: -344.894 kJ/mol + -analytic 20.61112E-1 00E+0 10.55119E+2 00E+0 00E+0 + +Cl- + Cr+3 = CrCl+2 + log_k 0.62 #64SIL/MAR + delta_h 20.92 #kJ/mol 64SIL/MAR +# Enthalpy of formation: -386.660 kJ/mol + -analytic 42.85027E-1 00E+0 -10.92728E+2 00E+0 00E+0 + +2 Cl- + Cr+3 = CrCl2+ + log_k -0.71 #64SIL/MAR + delta_h 20.92 #kJ/mol 64SIL/MAR +# Enthalpy of formation: -553.740 kJ/mol + -analytic 29.55027E-1 00E+0 -10.92728E+2 00E+0 00E+0 + +F- + Cr+3 = CrF+2 + log_k 5.21 #81TUR/WHI + delta_h -2.51 #kJ/mol 53HEP/JOL +# Enthalpy of formation: -578.360 kJ/mol + -analytic 47.70267E-1 00E+0 13.11064E+1 00E+0 00E+0 + +2 F- + Cr+3 = CrF2+ + log_k 9.31 #81TUR/WHI + delta_h -0.418 #kJ/mol 53HEP/JOL +# Enthalpy of formation: -911.618 kJ/mol + -analytic 92.3677E-1 00E+0 21.83366E+0 00E+0 00E+0 + +3 F- + Cr+3 = CrF3 + log_k 11.91 #81TUR/WHI + -analytic 11.91E+0 00E+0 00E+0 00E+0 00E+0 + +2 H+ + Cl- + CrO4-2 - H2O = CrO3Cl- + log_k 8.08 + delta_h 5.45 #kJ/mol +# Enthalpy of formation: -754.800 kJ/mol 76DEL/HEP + -analytic 90.34799E-1 00E+0 -28.46733E+1 00E+0 00E+0 + +SO4-2 + Cr+3 = CrSO4+ + log_k 4.61 #81TUR/WHI + -analytic 46.1E-1 00E+0 00E+0 00E+0 00E+0 + +Cs+ + Cit-3 = Cs(Cit)-2 + log_k 0.98 #95AKR/BOU + -analytic 98E-2 00E+0 00E+0 00E+0 00E+0 + +Cs+ + Edta-4 = Cs(Edta)-3 + log_k 1.3 #95AKR/BOU + -analytic 13E-1 00E+0 00E+0 00E+0 00E+0 + +Cs+ + Nta-3 = Cs(Nta)-2 + log_k 0.85 #95AKR/BOU + -analytic 85E-2 00E+0 00E+0 00E+0 00E+0 + +Cs+ - H+ + H2O = Cs(OH) + log_k -15.64 + delta_h 65.736 #kJ/mol +# Enthalpy of formation: -478.094 kJ/mol 97SHO/SAS2 + -analytic -41.23547E-1 00E+0 -34.3363E+2 00E+0 00E+0 + +Cs+ + Br- = CsBr + log_k 0.1 + delta_h 5.912 #kJ/mol +# Enthalpy of formation: -373.497 kJ/mol + -analytic 11.35738E-1 00E+0 -30.88053E+1 00E+0 00E+0 + +Cs+ + Cl- = CsCl + log_k -0.09 + delta_h 7.514 #kJ/mol +# Enthalpy of formation: -417.566 kJ/mol + -analytic 12.26396E-1 00E+0 -39.24836E+1 00E+0 00E+0 + +Cs+ + F- = CsF + log_k -0.38 + delta_h 2.436 #kJ/mol +# Enthalpy of formation: -590.913 kJ/mol + -analytic 46.76888E-3 00E+0 -12.72411E+1 00E+0 00E+0 + +Cs+ + I- = CsI + log_k 1.05 + delta_h -0.071 #kJ/mol +# Enthalpy of formation: -314.850 kJ/mol + -analytic 10.37561E-1 00E+0 37.08588E-1 00E+0 00E+0 + +Cu+2 + B(OH)4- = Cu(B(OH)4)+ + log_k 7.13 #80BAS + -analytic 71.3E-1 00E+0 00E+0 00E+0 00E+0 + +Cu+2 + 2 B(OH)4- = Cu(B(OH)4)2 + log_k 12.45 #80BAS + -analytic 12.45E+0 00E+0 00E+0 00E+0 00E+0 + +Cu+2 + 3 B(OH)4- = Cu(B(OH)4)3- + log_k 15.17 #80BAS + -analytic 15.17E+0 00E+0 00E+0 00E+0 00E+0 + +Cu+2 + 2 CO3-2 = Cu(CO3)2-2 + log_k 10.3 #07POW/BRO + delta_h 36.616 #kJ/mol +# Enthalpy of formation: -1248.945 kJ/mol + -analytic 16.71485E+0 00E+0 -19.12587E+2 00E+0 00E+0 + +Cu+ + 2 HS- = Cu(HS)2- + log_k 17.18 #99MON/SEW + delta_h -78.863 #kJ/mol +# Enthalpy of formation: -40.875 kJ/mol + -analytic 33.63795E-1 00E+0 41.19301E+2 00E+0 00E+0 + +Cu+2 - H+ + H2O = Cu(OH)+ + log_k -7.97 #97PLY/WAN + delta_h 36 #kJ/mol 76ARE/CAL in 97PLY/WAN +# Enthalpy of formation: -184.930 kJ/mol + -analytic -16.63071E-1 00E+0 -18.80411E+2 00E+0 00E+0 + +Cu+2 - 2 H+ + 2 H2O = Cu(OH)2 + log_k -16.23 #97PLY/WAN + delta_h 92.82 #kJ/mol 76ARE/CAL in 97PLY/WAN +# Enthalpy of formation: -413.940 kJ/mol + -analytic 31.36597E-3 00E+0 -48.48326E+2 00E+0 00E+0 + +Cu+ - 2 H+ + 2 H2O = Cu(OH)2- + log_k -18.2 #11PAL + delta_h 57.672 #kJ/mol +# Enthalpy of formation: -443.399 kJ/mol + -analytic -80.96299E-1 00E+0 -30.12418E+2 00E+0 00E+0 + +Cu+2 - 3 H+ + 3 H2O = Cu(OH)3- + log_k -26.63 #36DOW/JOH in 97PLY/WAN + delta_h 114.482 #kJ/mol +# Enthalpy of formation: -678.107 kJ/mol + -analytic -65.73615E-1 00E+0 -59.79811E+2 00E+0 00E+0 + +Cu+2 - 4 H+ + 4 H2O = Cu(OH)4-2 + log_k -39.73 #36DOW/JOH, 67AKH in 97PLY/WAN + -analytic -39.73E+0 00E+0 00E+0 00E+0 00E+0 + +Cu+2 + SeO4-2 = Cu(SeO4) + log_k 2.2 #Upper value suggested in 05OLI/NOL + -analytic 22E-1 00E+0 00E+0 00E+0 00E+0 + +2 Cu+2 - H+ + H2O = Cu2(OH)+3 + log_k -6.71 #97PLY/WAN + delta_h 46.1 #kJ/mol 97ROB/STE +# Enthalpy of formation: -109.930 kJ/mol + -analytic 13.66373E-1 00E+0 -24.07971E+2 00E+0 00E+0 + +2 Cu+2 - 2 H+ + 2 H2O = Cu2(OH)2+2 + log_k -10.55 #97PLY/WAN + delta_h 75.4 #kJ/mol 97PLY/WAN +# Enthalpy of formation: -366.460 kJ/mol + -analytic 26.59513E-1 00E+0 -39.38416E+2 00E+0 00E+0 + +2 Cu+ + 4 Cl- = Cu2Cl4-2 + log_k 10.55 #80FRIN in 00PUI/TAX + delta_h -54.86 #kJ/mol 00PUI/TAX +# Enthalpy of formation: -582.002 kJ/mol + -analytic 93.89406E-2 00E+0 28.65537E+2 00E+0 00E+0 + +2 Cu+ - H+ + 3 HS- = Cu2S(HS)2-2 + log_k 29.87 #99MON/SEW + delta_h -314.862 #kJ/mol +# Enthalpy of formation: -222.586 kJ/mol + -analytic -25.29145E+0 00E+0 16.44639E+3 00E+0 00E+0 + +3 Cu+2 - 4 H+ + 4 H2O = Cu3(OH)4+2 + log_k -20.94 #76ARE/CAL in 97PLY/WAN + delta_h 110 #kJ/mol 76ARE/CAL in 97PLY/WAN +# Enthalpy of formation: -838.620 kJ/mol + -analytic -16.68827E-1 00E+0 -57.457E+2 00E+0 00E+0 + +3 Cu+ + 6 Cl- = Cu3Cl6-3 + log_k 15.99 #80FRI in 00PUI/TAX + delta_h 124.51 #kJ/mol 00PUI/TAX +# Enthalpy of formation: -666.203 kJ/mol + -analytic 37.80322E+0 00E+0 -65.0361E+2 00E+0 00E+0 + +Cu+ + Cl- = CuCl + log_k 3.3 #98XIA/GAM + delta_h 3.763 #kJ/mol +# Enthalpy of formation: -92.728 kJ/mol + -analytic 39.59249E-1 00E+0 -19.65552E+1 00E+0 00E+0 + +Cu+2 + Cl- = CuCl+ + log_k 0.64 #97WAN/ZHA + delta_h 8.7 #kJ/mol 97WAN/ZHA +# Enthalpy of formation: -93.480 kJ/mol + -analytic 21.64175E-1 00E+0 -45.44326E+1 00E+0 00E+0 + +Cu+2 + 2 Cl- = CuCl2 + log_k 0.6 #97WAN/ZHA + delta_h 23 #kJ/mol 97WAN/ZHA +# Enthalpy of formation: -246.260 kJ/mol + -analytic 46.29427E-1 00E+0 -12.01374E+2 00E+0 00E+0 + +Cu+ + 2 Cl- = CuCl2- + log_k 5.68 #97WAN/ZHA + delta_h -14.25 #kJ/mol 84FRI in 97WAN/ZHA +# Enthalpy of formation: -277.821 kJ/mol + -analytic 31.83507E-1 00E+0 74.43293E+1 00E+0 00E+0 + +Cu+2 + 3 Cl- = CuCl3- + log_k -1.28 #97WAN/ZHA + delta_h 22.2 #kJ/mol 97WAN/ZHA +# Enthalpy of formation: -414.140 kJ/mol + -analytic 26.09273E-1 00E+0 -11.59587E+2 00E+0 00E+0 + +Cu+ + 3 Cl- = CuCl3-2 + log_k 5.03 #97WAN/ZHA + delta_h -27.33 #kJ/mol 97WAN/ZHA +# Enthalpy of formation: -457.981 kJ/mol + -analytic 24.19895E-2 00E+0 14.27545E+2 00E+0 00E+0 + +Cu+2 + 4 Cl- = CuCl4-2 + log_k -3.98 #97WAN/ZHA + delta_h 28 #kJ/mol 97WAN/ZHA +# Enthalpy of formation: -575.420 kJ/mol + -analytic 92.53894E-2 00E+0 -14.62542E+2 00E+0 00E+0 + +Cu+2 + CO3-2 = CuCO3 + log_k 6.75 #07POW/BRO + delta_h 10.4 #kJ/mol 89SOL/BYR +# Enthalpy of formation: -599.930 kJ/mol + -analytic 85.72002E-1 00E+0 -54.32298E+1 00E+0 00E+0 + +Cu+2 + H+ + CO3-2 = CuHCO3+ + log_k 12.17 #07POW/BRO + delta_h -5.841 #kJ/mol +# Enthalpy of formation: -616.172 kJ/mol + -analytic 11.1467E+0 00E+0 30.50967E+1 00E+0 00E+0 + +Cu+ + HS- = CuHS + log_k 13 #99MON/SEW + delta_h -44.866 #kJ/mol +# Enthalpy of formation: +9.422 kJ/mol + -analytic 51.39814E-1 00E+0 23.43514E+2 00E+0 00E+0 + +Cu+ - H+ + H2O = CuOH + log_k -7.68 #11PAL + -analytic -76.8E-1 00E+0 00E+0 00E+0 00E+0 + +Cu+ + S2O3-2 = CuS2O3- + log_k 10.13 + delta_h -51.13 #kJ/mol +# Enthalpy of formation: -632.828 kJ/mol + -analytic 11.72409E-1 00E+0 26.70706E+2 00E+0 00E+0 + +Cu+2 + SO4-2 = CuSO4 + log_k 2.31 + delta_h 5.102 #kJ/mol +# Enthalpy of formation: -839.338 kJ/mol + -analytic 32.03832E-1 00E+0 -26.6496E+1 00E+0 00E+0 + +Eu+3 + Acetate- = Eu(Acetate)+2 + log_k 2.9 #12GRI/GAR2 + -analytic 29E-1 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + 2 Acetate- = Eu(Acetate)2+ + log_k 4.8 #12GRI/GAR2 + -analytic 48E-1 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + 3 Acetate- = Eu(Acetate)3 + log_k 5.6 #12GRI/GAR2 + -analytic 56E-1 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + Cit-3 = Eu(Cit) + log_k 8.55 #Analogy with Am + -analytic 85.5E-1 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + 2 Cit-3 = Eu(Cit)2-3 + log_k 13.9 #Analogy with Am + -analytic 13.9E+0 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + CO3-2 = Eu(CO3)+ + log_k 7.9 #95SPA/BRU + delta_h 26.15 #kJ/mol +# Enthalpy of formation: -1254.406 kJ/mol + -analytic 12.48128E+0 00E+0 -13.6591E+2 00E+0 00E+0 + +Eu+3 + 2 CO3-2 = Eu(CO3)2- + log_k 12.9 #95SPA/BRU + -analytic 12.9E+0 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + 3 CO3-2 = Eu(CO3)3-3 + log_k 14.8 #05VER/VIT2 + -analytic 14.8E+0 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + Edta-4 = Eu(Edta)- + log_k 19.67 #Analoly with Am(Edta)- + -analytic 19.67E+0 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + H2(PO4)- = Eu(H2PO4)+2 + log_k 2.4 #95SPA/BRU + -analytic 24E-1 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + H+ + Cit-3 = Eu(HCit)+ + log_k 12.86 #Analogy with Am + -analytic 12.86E+0 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + 2 H+ + 2 Cit-3 = Eu(HCit)2- + log_k 23.52 #Analogy with Am + -analytic 23.52E+0 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + H+ + CO3-2 = Eu(HCO3)+2 + log_k 12.43 #95SPA/BRU + -analytic 12.43E+0 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + H+ + Edta-4 = Eu(HEdta) + log_k 21.84 #Analogy with Am(HEdta) + -analytic 21.84E+0 00E+0 00E+0 00E+0 00E+0 + +Eu+3 - H+ + H2(PO4)- = Eu(HPO4)+ + log_k -1.51 #95SPA/BRU + -analytic -15.1E-1 00E+0 00E+0 00E+0 00E+0 + +Eu+3 - 2 H+ + 2 H2(PO4)- = Eu(HPO4)2- + log_k -4.82 #95SPA/BRU + -analytic -48.2E-1 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + Malonate-2 = Eu(Malonate)+ + log_k 5.43 #13GRI/CAM + -analytic 54.3E-1 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + 2 Malonate-2 = Eu(Malonate)2- + log_k 7.78 #13GRI/CAM + -analytic 77.8E-1 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + NO3- = Eu(NO3)+2 + log_k 1.21 #09RAO/TIA1 (Calculated using SIT) + -analytic 12.1E-1 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + Nta-3 = Eu(Nta) + log_k 13 #Analogy with Am(Nta)(aq) + -analytic 13E+0 00E+0 00E+0 00E+0 00E+0 + +Eu+3 - H+ + H2O = Eu(OH)+2 + log_k -7.8 #95SPA/BRU + delta_h 51.104 #kJ/mol +# Enthalpy of formation: -840.051 kJ/mol + -analytic 11.53036E-1 00E+0 -26.69348E+2 00E+0 00E+0 + +Eu+3 - 2 H+ + HGlu- + 2 H2O = Eu(OH)2(HGlu) + log_k -10.97 #Analogy with Pu(OH)2(HIsa)(aq) + -analytic -10.97E+0 00E+0 00E+0 00E+0 00E+0 + +Eu+3 - 2 H+ + HIsa- + 2 H2O = Eu(OH)2(HIsa) + log_k -10.97 #Analogy with Pu(OH)2(HIsa)(aq) + -analytic -10.97E+0 00E+0 00E+0 00E+0 00E+0 + +Eu+3 - 2 H+ + 2 H2O = Eu(OH)2+ + log_k -15.7 #07NEC/ALT2 + delta_h 104.24 #kJ/mol +# Enthalpy of formation: -1072.744 kJ/mol + -analytic 25.62064E-1 00E+0 -54.44834E+2 00E+0 00E+0 + +Eu+3 - 3 H+ + 3 H2O = Eu(OH)3 + log_k -26.2 #07NEC/ALT2 + delta_h 162.995 #kJ/mol +# Enthalpy of formation: -1299.819 kJ/mol + -analytic 23.55498E-1 00E+0 -85.13822E+2 00E+0 00E+0 + +Eu+3 - 4 H+ + 4 H2O = Eu(OH)4- + log_k -40.7 #07NEC/ALT2 + delta_h 235.317 #kJ/mol +# Enthalpy of formation: -1513.326 kJ/mol + -analytic 52.57687E-2 00E+0 -12.29146E+3 00E+0 00E+0 + +Eu+3 + Ox-2 = Eu(Ox)+ + log_k +6.55 #Richard et al. 2011 Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR + -analytic 65.5E-1 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + 2 Ox-2 = Eu(Ox)2- + log_k +10.93 # Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR + -analytic 10.93E+0 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + 3 Ox-2 = Eu(Ox)3-3 + log_k +12.48 #Richard et al. 2011 Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR + -analytic 12.48E+0 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + Phthalat-2 = Eu(Phthalat)+ + log_k 4.96 #11GRI/COL2 + -analytic 49.6E-1 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + 2 Phthalat-2 = Eu(Phthalat)2- + log_k 7.34 #11GRI/COL2 + -analytic 73.4E-1 00E+0 00E+0 00E+0 00E+0 + +Eu+3 - 2 H+ + H2(PO4)- = Eu(PO4) + log_k -7.36 #95SPA/BRU + -analytic -73.6E-1 00E+0 00E+0 00E+0 00E+0 + +Eu+3 - 4 H+ + 2 H2(PO4)- = Eu(PO4)2-3 + log_k -18.46 #95SPA/BRU + -analytic -18.46E+0 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + SO4-2 = Eu(SO4)+ + log_k 3.5 #95SPA/BRU + delta_h 15.577 #kJ/mol +# Enthalpy of formation: -1499.088 kJ/mol + -analytic 62.28973E-1 00E+0 -81.36434E+1 00E+0 00E+0 + +Eu+3 + 2 SO4-2 = Eu(SO4)2- + log_k 5.2 #95SPA/BRU + delta_h 23.017 #kJ/mol +# Enthalpy of formation: -2400.987 kJ/mol + -analytic 92.32405E-1 00E+0 -12.02262E+2 00E+0 00E+0 + +Eu+3 + Succinat-2 = Eu(Succinat)+ + log_k 4.36 #13GRI/CAM + -analytic 43.6E-1 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + 2 Succinat-2 = Eu(Succinat)2- + log_k 6.5 #13GRI/CAM + -analytic 65E-1 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + Br- = EuBr+2 + log_k 0.25 #95SPA/BRU + delta_h 1.397 #kJ/mol +# Enthalpy of formation: -725.337 kJ/mol + -analytic 49.47439E-2 00E+0 -72.97039E+0 00E+0 00E+0 + +Eu+3 + 2 Br- = EuBr2+ + log_k -0.09 #95SPA/BRU + delta_h 7.625 #kJ/mol +# Enthalpy of formation: -840.520 kJ/mol + -analytic 12.45843E-1 00E+0 -39.82815E+1 00E+0 00E+0 + +Eu+3 + Cl- = EuCl+2 + log_k 0.76 #Original data 01LUO/BYR and 04LUO/BYR + delta_h 19.94 #kJ/mol 00YEH +# Enthalpy of formation: -752.465 kJ/mol + -analytic 42.53338E-1 00E+0 -10.41539E+2 00E+0 00E+0 + +Eu+3 + 2 Cl- = EuCl2+ + log_k -0.05 #95SPA/BRU + delta_h 22.87 #kJ/mol +# Enthalpy of formation: -916.614 kJ/mol + -analytic 39.56652E-1 00E+0 -11.94583E+2 00E+0 00E+0 + +Eu+3 + F- = EuF+2 + log_k 4.33 #07LUO/BYR + delta_h 8.19 #kJ/mol 04LUO/MIL +# Enthalpy of formation: -932.485 kJ/mol + -analytic 57.64826E-1 00E+0 -42.77935E+1 00E+0 00E+0 + +Eu+3 + 2 F- = EuF2+ + log_k 6.55 #Original data from 99SCH/BYR and 04LUO/BYR + delta_h 18.58 #kJ/mol 04LUO/MIL +# Enthalpy of formation: -1257.445 kJ/mol + -analytic 98.05076E-1 00E+0 -97.0501E+1 00E+0 00E+0 + +Eu+3 + 3 F- = EuF3 + log_k 10.6 #95SPA/BRU + delta_h 27.85 #kJ/mol +# Enthalpy of formation: -1583.524 kJ/mol + -analytic 15.47911E+0 00E+0 -14.54707E+2 00E+0 00E+0 + +Eu+3 - H+ + H4(SiO4) = EuSiO(OH)3+2 + log_k -2.62 #Original data 07THA/SIN and 96JEN/CHO1 + -analytic -26.2E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + B(OH)4- = Fe(B(OH)4)+2 + log_k 8.58 #80BAS + -analytic 85.8E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + 2 B(OH)4- = Fe(B(OH)4)2+ + log_k 15.54 #80BAS + -analytic 15.54E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + Cit-3 = Fe(Cit) + log_k 12.65 #95AKR/BOU + -analytic 12.65E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + Cit-3 = Fe(Cit)- + log_k 6.1 #95AKR/BOU + -analytic 61E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 - H+ + Cit-3 + H2O = Fe(Cit)(OH)- + log_k 10.33 #95AKR/BOU + -analytic 10.33E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + 2 Cit-3 = Fe(Cit)2-3 + log_k 18.15 #95AKR/BOU + -analytic 18.15E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + 2 CO3-2 = Fe(CO3)2-2 + log_k 7.04 #13LEM/BER + delta_h 58.257 #kJ/mol +# Enthalpy of formation: -1382.499 kJ/mol + -analytic 17.24619E+0 00E+0 -30.42975E+2 00E+0 00E+0 + +Fe+3 + 3 CO3-2 = Fe(CO3)3-3 + log_k 24 #05GRI in 13LEM/BER + -analytic 24E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + Edta-4 = Fe(Edta)- + log_k 27.7 #95AKR/BOU + -analytic 27.7E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + Edta-4 = Fe(Edta)-2 + log_k 16.02 #95AKR/BOU + -analytic 16.02E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + 2 H+ + Cit-3 = Fe(H2Cit)+ + log_k 13.64 #91DUF/JOH + -analytic 13.64E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + 2 H+ + Cit-3 = Fe(H2Cit)+2 + log_k 14.13 #82NAM/PAL + -analytic 14.13E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + H2(PO4)- = Fe(H2PO4)+ + log_k 2.7 #20LEM/PAL + -analytic 27E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + H2(PO4)- = Fe(H2PO4)+2 + log_k 5.43 #Recalculated from 72NRIa in 20LEM/PAL + -analytic 54.3E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 - H+ + H4(SiO4) = Fe(H3SiO4)+2 + log_k 0.36 #88CHA/NEW + -analytic 36E-2 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + H+ + Cit-3 = Fe(HCit) + log_k 10.02 #95AKR/BOU + -analytic 10.02E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + H+ + 2 Cit-3 = Fe(HCit)(Cit)-2 + log_k 19.3 #95AKR/BOU + -analytic 19.3E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + H+ + Cit-3 = Fe(HCit)+ + log_k 13.56 #95AKR/BOU + -analytic 13.56E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + 2 H+ + 2 Cit-3 = Fe(HCit)2- + log_k 24.92 #95AKR/BOU + -analytic 24.92E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + H+ + Edta-4 = Fe(HEdta) + log_k 29.2 #95AKR/BOU + -analytic 29.2E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + H+ + Edta-4 = Fe(HEdta)- + log_k 18.3 #95AKR/BOU + -analytic 18.3E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + H+ + Nta-3 = Fe(HNta) + log_k 12.3 #95AKR/BOU + -analytic 12.3E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + H+ + Ox-2 = Fe(HOx)+2 + log_k 9.3 #95AKR/BOU + -analytic 93E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+2 - H+ + H2(PO4)- = Fe(HPO4) + log_k -3.61 #USGS original + -analytic -36.1E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + HS- = Fe(HS)+ + log_k 4.34 #04CHI + -analytic 43.4E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + 2 HS- = Fe(HS)2 + log_k 6.45 #04CHI + -analytic 64.5E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + H+ + SeO3-2 = Fe(HSeO3)+2 + log_k 12.35 #01SEB/POT2 + -analytic 12.35E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + NH3 = Fe(NH3)+2 + log_k 1.3 #82SCH + -analytic 13E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + 2 NH3 = Fe(NH3)2+2 + log_k 2.1 #82SCH + -analytic 21E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + 4 NH3 = Fe(NH3)4+2 + log_k 3.6 #82SCH + -analytic 36E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + NO3- = Fe(NO3)+2 + log_k 0.95 #HATCHES 8 1996 + -analytic 95E-2 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + Nta-3 = Fe(Nta) + log_k 18.6 #95AKR/BOU + -analytic 18.6E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + Nta-3 = Fe(Nta)- + log_k 10.6 #95AKR/BOU + -analytic 10.6E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + 2 Nta-3 = Fe(Nta)2-3 + log_k 27 #95AKR/BOU + -analytic 27E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + 2 Nta-3 = Fe(Nta)2-4 + log_k 13.5 #95AKR/BOU + -analytic 13.5E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+2 - H+ + Cit-3 + H2O = Fe(OH)(Cit)-2 + log_k -0.86 #91DUF/JOH + -analytic -86E-2 00E+0 00E+0 00E+0 00E+0 + +Fe+3 - H+ + Edta-4 + H2O = Fe(OH)(Edta)-2 + log_k 20.84 #95AKR/BOU + -analytic 20.84E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+2 - H+ + Edta-4 + H2O = Fe(OH)(Edta)-3 + log_k 6.4 #95AKR/BOU + -analytic 64E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 - H+ + Nta-3 + H2O = Fe(OH)(Nta)- + log_k 14.6 #95AKR/BOU + -analytic 14.6E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+2 - H+ + Nta-3 + H2O = Fe(OH)(Nta)-2 + log_k -0.12 #95AKR/BOU + -analytic -12E-2 00E+0 00E+0 00E+0 00E+0 + +Fe+2 - H+ + H2O = Fe(OH)+ + log_k -9.25 #21RIB/BEG + delta_h 40.921 #kJ/mol 21RIB/BEG +# Enthalpy of formation: -335.204 kJ/mol + -analytic -20.80949E-1 00E+0 -21.37453E+2 00E+0 00E+0 + +Fe+3 - H+ + H2O = Fe(OH)+2 + log_k -2.15 #13LEM/BER + delta_h 38.8 #kJ/mol 13LEM/BER +# Enthalpy of formation: -297.086 kJ/mol + -analytic 46.47468E-1 00E+0 -20.26665E+2 00E+0 00E+0 + +Fe+2 - 2 H+ + 2 H2O = Fe(OH)2 + log_k -20.84 #21RIB/BEG + delta_h 114.131 #kJ/mol 21RIB/BEG +# Enthalpy of formation: -547.824 kJ/mol + -analytic -84.51071E-2 00E+0 -59.61477E+2 00E+0 00E+0 + +Fe+3 - 2 H+ + Cit-3 + 2 H2O = Fe(OH)2(Cit)-2 + log_k 2.9 #95AKR/BOU + -analytic 29E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 - 2 H+ + Edta-4 + 2 H2O = Fe(OH)2(Edta)-3 + log_k 10.06 #95AKR/BOU + -analytic 10.06E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+2 - 2 H+ + Edta-4 + 2 H2O = Fe(OH)2(Edta)-4 + log_k -4.4 #95AKR/BOU + -analytic -44E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 - 2 H+ + Nta-3 + 2 H2O = Fe(OH)2(Nta)-2 + log_k 6 #95AKR/BOU + -analytic 60E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 - 2 H+ + 2 H2O = Fe(OH)2+ + log_k -4.8 #13LEM/BER + delta_h 71.546 #kJ/mol 76BAE/MES in 98CHI +# Enthalpy of formation: -550.170 kJ/mol + -analytic 77.34321E-1 00E+0 -37.37108E+2 00E+0 00E+0 + +Fe+3 - 3 H+ + 3 H2O = Fe(OH)3 + log_k -12.56 #95BOU in 04CHI + delta_h 103.764 #kJ/mol 95BOU in 04CHI +# Enthalpy of formation: -803.782 kJ/mol + -analytic 56.18672E-1 00E+0 -54.19971E+2 00E+0 00E+0 + +Fe+2 - 3 H+ + 3 H2O = Fe(OH)3- + log_k -33.84 #21RIB/BEG + delta_h 162.231 #kJ/mol 21RIB/BEG +# Enthalpy of formation: -785.554 kJ/mol + -analytic -54.18349E-1 00E+0 -84.73915E+2 00E+0 00E+0 + +Fe+3 - 3 H+ + Edta-4 + 3 H2O = Fe(OH)3(Edta)-4 + log_k -2.24 #51SCH/HEL + -analytic -22.4E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 - 4 H+ + 4 H2O = Fe(OH)4- + log_k -21.6 #76BAE/MES in 04CHI + delta_h 133.471 #kJ/mol 95BOU in 04CHI +# Enthalpy of formation: -1059.905 kJ/mol + -analytic 17.83115E-1 00E+0 -69.71676E+2 00E+0 00E+0 + +Fe+2 - 4 H+ + 4 H2O = Fe(OH)4-2 + log_k -46.32 #21RIB/BEG from 56GAY/WOO + delta_h 160.75 #kJ/mol +# Enthalpy of formation: -1072.864 kJ/mol + -analytic -18.15781E+0 00E+0 -83.96557E+2 00E+0 00E+0 + +Fe+3 - H+ + CO3-2 + H2O = Fe(OH)CO3 + log_k 10.7 #05GRI + -analytic 10.7E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + Ox-2 = Fe(Ox) + log_k 4.1 #95AKR/BOU + -analytic 41E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + Ox-2 = Fe(Ox)+ + log_k 9.53 #95AKR/BOU + -analytic 95.3E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + 2 Ox-2 = Fe(Ox)2- + log_k 15.75 #95AKR/BOU + -analytic 15.75E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + 2 Ox-2 = Fe(Ox)2-2 + log_k 6.2 #95AKR/BOU + -analytic 62E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + 3 Ox-2 = Fe(Ox)3-3 + log_k 20.2 #95AKR/BOU + -analytic 20.2E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + 3 Ox-2 = Fe(Ox)3-4 + log_k 5.22 #95AKR/BOU + -analytic 52.2E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 - 2 H+ + H2(PO4)- = Fe(PO4) + log_k 3.44 #Recalculated from 07IUL/CIA in 20LEM/PAL + -analytic 34.4E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + SeO3-2 = Fe(SeO3)+ + log_k 11.15 #05OLI/NOL + -analytic 11.15E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + SeO4-2 = Fe(SeO4) + log_k 2.71 #01SEB/POT2 + delta_h -12.425 #kJ/mol +# Enthalpy of formation: -706.220 kJ/mol + -analytic 53.32334E-2 00E+0 64.90029E+1 00E+0 00E+0 + +Fe+2 + SO4-2 = Fe(SO4) + log_k 2.44 #13LEM/BER + delta_h 8.4 #kJ/mol 13LEM/BER +# Enthalpy of formation: -991.235 kJ/mol + -analytic 39.11617E-1 00E+0 -43.87626E+1 00E+0 00E+0 + +Fe+3 + SO4-2 = Fe(SO4)+ + log_k 4.25 #13LEM/BER + delta_h 26 #kJ/mol Suggested but not selected 13LEM/BER +# Enthalpy of formation: -933.396 kJ/mol + -analytic 88.05004E-1 00E+0 -13.58075E+2 00E+0 00E+0 + +Fe+3 + 2 SO4-2 = Fe(SO4)2- + log_k 6.22 #91PEA/BER in 98CHI + -analytic 62.2E-1 00E+0 00E+0 00E+0 00E+0 + +2 Fe+3 - 2 H+ + 2 Cit-3 + 2 H2O = Fe2(Cit)2(OH)2-2 + log_k 17 #95AKR/BOU + -analytic 17E+0 00E+0 00E+0 00E+0 00E+0 + +2 Fe+3 - 2 H+ + 2 Edta-4 + 2 H2O = Fe2(OH)2(Edta)2-4 + log_k 40 #95AKR/BOU + -analytic 40E+0 00E+0 00E+0 00E+0 00E+0 + +2 Fe+3 - 2 H+ + 2 H2O = Fe2(OH)2+4 + log_k -2.82 #13LEM/BER + delta_h 44 #kJ/mol 13LEM/BER +# Enthalpy of formation: -627.772 kJ/mol + -analytic 48.88469E-1 00E+0 -22.9828E+2 00E+0 00E+0 + +3 Fe+3 - 4 H+ + 4 H2O = Fe3(OH)4+5 + log_k -6.3 #76BAE/MES in 98CHI + delta_h 59.831 #kJ/mol 76BAE/MES +# Enthalpy of formation: -1233.657 kJ/mol + -analytic 41.81941E-1 00E+0 -31.25191E+2 00E+0 00E+0 + +Fe+3 + Br- = FeBr+2 + log_k 0.7 #88CHA/NEW + -analytic 70E-2 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + 2 Br- = FeBr2+ + log_k 0.9 #96FAL/REA + -analytic 90E-2 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + Cl- = FeCl+ + log_k 1 #Suggested in 13LEM/BER + delta_h 21.551 #kJ/mol 13LEM/BER +# Enthalpy of formation: -235.824 kJ/mol + -analytic 47.75573E-1 00E+0 -11.25687E+2 00E+0 00E+0 + +Fe+3 + Cl- = FeCl+2 + log_k 1.52 #13LEM/BER + delta_h 22.5 #kJ/mol 13LEM/BER +# Enthalpy of formation: -194.636 kJ/mol + -analytic 54.61831E-1 00E+0 -11.75257E+2 00E+0 00E+0 + +Fe+3 + 2 Cl- = FeCl2+ + log_k 2.22 #13LEM/BER + -analytic 22.2E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + 3 Cl- = FeCl3 + log_k 1.02 #13LEM/BER + -analytic 10.2E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + 4 Cl- = FeCl4- + log_k -0.98 #13LEM/BER + -analytic -98E-2 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + CO3-2 = FeCO3 + log_k 5.27 #13LEM/BER + delta_h -3.367 #kJ/mol +# Enthalpy of formation: -768.892 kJ/mol + -analytic 46.80127E-1 00E+0 17.58707E+1 00E+0 00E+0 + +Fe+3 + CrO4-2 = FeCrO4+ + log_k 7.8 #96BAR/PAL + delta_h 19.1 #kJ/mol 96BAR/PAL +# Enthalpy of formation: -909.956 kJ/mol + -analytic 11.14618E+0 00E+0 -99.76625E+1 00E+0 00E+0 + +Fe+2 + F- = FeF+ + log_k 1.7 #13LEM/BER + -analytic 17E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + F- = FeF+2 + log_k 6.09 #20LEM/PAL + delta_h 12.8 #kJ/mol 20LEM/PAL +# Enthalpy of formation: -372.606 kJ/mol + -analytic 83.32464E-1 00E+0 -66.85906E+1 00E+0 00E+0 + +Fe+3 + 2 F- = FeF2+ + log_k 10.41 #Calculated in 20LEM/PAL + delta_h 22 #kJ/mol Calculated in 20LEM/PAL +# Enthalpy of formation: -698.756 kJ/mol + -analytic 14.26423E+0 00E+0 -11.4914E+2 00E+0 00E+0 + +Fe+3 + 2 H+ + Pyrophos-4 = FeH2Pyrophos+ + log_k 26 #88CHA/NEW + -analytic 26E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + I- = FeI+2 + log_k 2.1 #96BOU2 + -analytic 21E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + S2O3-2 = FeS2O3+ + log_k 3.9 #82SCH + -analytic 39E-1 00E+0 00E+0 00E+0 00E+0 + +H+ + Adipate-2 = H(Adipate)- + log_k 5.45 #04MAR/SMI + -analytic 54.5E-1 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + H3(AsO3) = H(AsO3)-2 + log_k -23.62 #79IVA/VOR + -analytic -23.62E+0 00E+0 00E+0 00E+0 00E+0 + +H+ + AsO4-3 = H(AsO4)-2 + log_k 11.6 + delta_h -18.2 #kJ/mol +# Enthalpy of formation: -906.340 kJ/mol 09RAN/FUG + -analytic 84.11497E-1 00E+0 95.06522E+1 00E+0 00E+0 + +H+ + Cit-3 = H(Cit)-2 + log_k 6.36 #05HUM/AND + delta_h 3.3 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1516.620 kJ/mol + -analytic 69.38135E-1 00E+0 -17.2371E+1 00E+0 00E+0 + +H+ + Edta-4 = H(Edta)-3 + log_k 11.24 #05HUM/AND + delta_h -19.8 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1724.600 kJ/mol + -analytic 77.71189E-1 00E+0 10.34226E+2 00E+0 00E+0 + +H+ + Malonate-2 = H(Malonate)- + log_k 5.71 #13GRI/CAM + -analytic 57.1E-1 00E+0 00E+0 00E+0 00E+0 + +H+ + Nta-3 = H(Nta)-2 + log_k 10.28 #95AKR/BOU + -analytic 10.28E+0 00E+0 00E+0 00E+0 00E+0 + +H+ + Ox-2 = H(Ox)- + log_k 4.25 #05HUM/AND + delta_h 7.3 #kJ/mol 05HUM/AND +# Enthalpy of formation: -823.360 kJ/mol + -analytic 55.28905E-1 00E+0 -38.13056E+1 00E+0 00E+0 + +H+ + Pyrophos-4 = H(Pyrophos)-3 + log_k 9.4 #92GRE/FUG + -analytic 94E-1 00E+0 00E+0 00E+0 00E+0 + +H+ + S2O3-2 = H(S2O3)- + log_k 1.72 #04CHI + delta_h 8.253 #kJ/mol +# Enthalpy of formation: -644.033 kJ/mol + -analytic 31.65864E-1 00E+0 -43.10842E+1 00E+0 00E+0 + +H+ + SeO3-2 = H(SeO3)- + log_k 8.36 #05OLI/NOL + delta_h -5.17 #kJ/mol +# Enthalpy of formation: -512.330 kJ/mol 05OLI/NOL + -analytic 74.54255E-1 00E+0 27.00479E+1 00E+0 00E+0 + +H+ + SeO4-2 = H(SeO4)- + log_k 1.75 #05OLI/NOL + delta_h 20.8 #kJ/mol 05OLI/NOL +# Enthalpy of formation: -582.700 kJ/mol + -analytic 53.94004E-1 00E+0 -10.8646E+2 00E+0 00E+0 + +H+ + SO3-2 = H(SO3)- + log_k 7.17 #85GOL/PAR + delta_h 3.668 #kJ/mol +# Enthalpy of formation: -627.392 kJ/mol + -analytic 78.12606E-1 00E+0 -19.1593E+1 00E+0 00E+0 + +H+ + SO4-2 = H(SO4)- + log_k 1.98 + delta_h 22.44 #kJ/mol +# Enthalpy of formation: -886.900 kJ/mol 92GRE/FUG + -analytic 59.11319E-1 00E+0 -11.72123E+2 00E+0 00E+0 + +H+ + Suberate-2 = H(Suberate)- + log_k 5.4 #31GAN/ING + -analytic 54E-1 00E+0 00E+0 00E+0 00E+0 + +H+ + Succinat-2 = H(Succinat)- + log_k 5.71 #13GRI/CAM + -analytic 57.1E-1 00E+0 00E+0 00E+0 00E+0 + +2 H+ + Adipate-2 = H2(Adipate) + log_k 9.89 #04MAR/SMI + -analytic 98.9E-1 00E+0 00E+0 00E+0 00E+0 + +- H+ + H3(AsO3) = H2(AsO3)- + log_k -9.22 + delta_h 27.41 #kJ/mol +# Enthalpy of formation: -714.790 kJ/mol 10RAN/FUG + -analytic -44.17974E-1 00E+0 -14.31724E+2 00E+0 00E+0 + +2 H+ + AsO4-3 = H2(AsO4)- + log_k 18.37 + delta_h -21.42 #kJ/mol +# Enthalpy of formation: -909.560 kJ/mol 09RAN/FUG + -analytic 14.61738E+0 00E+0 11.18845E+2 00E+0 00E+0 + +2 H+ + Cit-3 = H2(Cit)- + log_k 11.14 #05HUM/AND + delta_h 0.9 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1519.020 kJ/mol + -analytic 11.29767E+0 00E+0 -47.01027E+0 00E+0 00E+0 + +2 H+ + Edta-4 = H2(Edta)-2 + log_k 18.04 #05HUM/AND + delta_h -35 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1739.800 kJ/mol + -analytic 11.90826E+0 00E+0 18.28177E+2 00E+0 00E+0 + +2 H+ + Malonate-2 = H2(Malonate) + log_k 8.67 #13GRI/CAM + -analytic 86.7E-1 00E+0 00E+0 00E+0 00E+0 + +2 H+ + Nta-3 = H2(Nta)- + log_k 13.2 #95AKR/BOU + -analytic 13.2E+0 00E+0 00E+0 00E+0 00E+0 + +2 H+ + Ox-2 = H2(Ox) + log_k 5.65 #05HUM/AND + delta_h 10.6 #kJ/mol 05HUM/AND +# Enthalpy of formation: -820.060 kJ/mol + -analytic 75.0704E-1 00E+0 -55.36766E+1 00E+0 00E+0 + +2 H+ + Pyrophos-4 = H2(Pyrophos)-2 + log_k 16.05 #92GRE/FUG + -analytic 16.05E+0 00E+0 00E+0 00E+0 00E+0 + +2 H+ + S2O3-2 = H2(S2O3) + log_k 2.32 #04CHI + delta_h 22.917 #kJ/mol +# Enthalpy of formation: -629.369 kJ/mol + -analytic 63.34886E-1 00E+0 -11.97038E+2 00E+0 00E+0 + +2 H+ + SeO3-2 = H2(SeO3) + log_k 11 #05OLI/NOL + delta_h 1.84 #kJ/mol +# Enthalpy of formation: -505.320 kJ/mol 05OLI/NOL + -analytic 11.32235E+0 00E+0 -96.10989E+0 00E+0 00E+0 + +- 2 H+ + H4(SiO4) = H2(SiO4)-2 + log_k -23.14 #92GRE/FUG + delta_h 75 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -1386.194 kJ/mol + -analytic -10.00056E+0 00E+0 -39.17523E+2 00E+0 00E+0 + +2 H+ + SO3-2 = H2(SO3) + log_k 9.03 #85GOL/PAR + delta_h 21.453 #kJ/mol +# Enthalpy of formation: -609.607 kJ/mol + -analytic 12.7884E+0 00E+0 -11.20568E+2 00E+0 00E+0 + +2 H+ + Suberate-2 = H2(Suberate) + log_k 9.92 #31GAN/ING + -analytic 99.2E-1 00E+0 00E+0 00E+0 00E+0 + +2 H+ + Succinat-2 = H2(Succinat) + log_k 9.95 #13GRI/CAM + -analytic 99.5E-1 00E+0 00E+0 00E+0 00E+0 + +2 H+ + CrO4-2 = H2CrO4 + log_k 6.32 #76BAE/MES, 04CHI + delta_h 39.596 #kJ/mol +# Enthalpy of formation: -839.404 kJ/mol + -analytic 13.25692E+0 00E+0 -20.68243E+2 00E+0 00E+0 + +2 H+ + H2(PO4)- + CrO4-2 - H2O = H2CrPO7- + log_k 9.02 + delta_h -51.49 #kJ/mol +# Enthalpy of formation: -1947.260 kJ/mol 76DEL/HAL + -analytic -66.07802E-5 00E+0 26.8951E+2 00E+0 00E+0 + +H+ + HGlu- = H2Glu + log_k 3.9 #98ZUB/CAS + -analytic 39E-1 00E+0 00E+0 00E+0 00E+0 + +H+ + HIsa- = H2Isa + log_k 4 #05HUM/AND + -analytic 40E-1 00E+0 00E+0 00E+0 00E+0 + +2 H+ + MoO4-2 = H2MoO4 + log_k 8.15 #68SAS/SIL, 64AVE/ANA + -analytic 81.5E-1 00E+0 00E+0 00E+0 00E+0 + +2 H+ + Phthalat-2 = H2Phthalat + log_k 8.32 #10RIC/SAB1 + -analytic 83.2E-1 00E+0 00E+0 00E+0 00E+0 + +H+ + HS- = H2S + log_k 6.99 + delta_h -22.3 #kJ/mol +# Enthalpy of formation: -38.600 kJ/mol 89COX/WAG + -analytic 30.83208E-1 00E+0 11.6481E+2 00E+0 00E+0 + +2 H+ + S2O4-2 = H2S2O4 + log_k 2.8 #04CHI + delta_h 20.193 #kJ/mol +# Enthalpy of formation: -733.307 kJ/mol + -analytic 63.37662E-1 00E+0 -10.54754E+2 00E+0 00E+0 + +H+ + HSe- = H2Se + log_k 3.85 + delta_h 0 #kJ/mol +# Enthalpy of formation: +14.300 kJ/mol 05OLI/NOL + -analytic 38.5E-1 00E+0 00E+0 00E+0 00E+0 + +3 H+ + AsO4-3 = H3(AsO4) + log_k 20.63 + delta_h -14.36 #kJ/mol +# Enthalpy of formation: -902.500 kJ/mol 09RAN/FUG + -analytic 18.11424E+0 00E+0 75.0075E+1 00E+0 00E+0 + +3 H+ + Cit-3 = H3(Cit) + log_k 14.27 #05HUM/AND + delta_h -3.6 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1523.520 kJ/mol + -analytic 13.63931E+0 00E+0 18.80411E+1 00E+0 00E+0 + +3 H+ + Edta-4 = H3(Edta)- + log_k 21.19 #05HUM/AND + delta_h -27.9 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1732.700 kJ/mol + -analytic 16.30213E+0 00E+0 14.57318E+2 00E+0 00E+0 + +3 H+ + Nta-3 = H3(Nta) + log_k 15.33 #95AKR/BOU + -analytic 15.33E+0 00E+0 00E+0 00E+0 00E+0 + +H+ + H2(PO4)- = H3(PO4) + log_k 2.14 #92GRE/FUG + delta_h 8.48 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -1294.120 kJ/mol + -analytic 36.25632E-1 00E+0 -44.29412E+1 00E+0 00E+0 + +3 H+ + Pyrophos-4 = H3(Pyrophos)- + log_k 18.3 #92GRE/FUG + -analytic 18.3E+0 00E+0 00E+0 00E+0 00E+0 + +- H+ + H4(SiO4) = H3(SiO4)- + log_k -9.84 #06BLA/PIA; Uncertainty to include available data. + delta_h 29.363 #kJ/mol +# Enthalpy of formation: -1431.831 kJ/mol + -analytic -46.95823E-1 00E+0 -15.33736E+2 00E+0 00E+0 + +4 H+ + Edta-4 = H4(Edta) + log_k 23.42 #05HUM/AND + delta_h -26 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1730.800 kJ/mol + -analytic 18.865E+0 00E+0 13.58075E+2 00E+0 00E+0 + +4 H+ + Nta-3 = H4(Nta)+ + log_k 16.13 #95AKR/BOU + -analytic 16.13E+0 00E+0 00E+0 00E+0 00E+0 + +4 H+ + Pyrophos-4 = H4(Pyrophos) + log_k 19.3 #92GRE/FUG +# Enthalpy of formation: -2280.210 kJ/mol 92GRE/FUG + -analytic 19.3E+0 00E+0 00E+0 00E+0 00E+0 + +5 H+ + Edta-4 = H5(Edta)+ + log_k 24.72 #05HUM/AND + -analytic 24.72E+0 00E+0 00E+0 00E+0 00E+0 + +6 H+ + Edta-4 = H6(Edta)+2 + log_k 24.22 #05HUM/AND + -analytic 24.22E+0 00E+0 00E+0 00E+0 00E+0 + +H+ + Acetate- = HAcetate + log_k 4.76 + delta_h 0.25 #kJ/mol +# Enthalpy of formation: -485.760 kJ/mol 82WAG/EVA + -analytic 48.03798E-1 00E+0 -13.05841E+0 00E+0 00E+0 + +H+ + 2 B(OH)4- - 4 H2O = HB2O4- + log_k 9.17 #97CRO + -analytic 91.7E-1 00E+0 00E+0 00E+0 00E+0 + +H+ + CO3-2 = HCO3- + log_k 10.33 + delta_h -14.7 #kJ/mol +# Enthalpy of formation: -689.930 kJ/mol 89COX/WAG + -analytic 77.54671E-1 00E+0 76.78345E+1 00E+0 00E+0 + +H+ + CrO4-2 = HCrO4- + log_k 6.52 #87PAL/WES, 04CHI + delta_h 6.016 #kJ/mol +# Enthalpy of formation: -872.985 kJ/mol + -analytic 75.73958E-1 00E+0 -31.42376E+1 00E+0 00E+0 + +H+ + H2(PO4)- + CrO4-2 - H2O = HCrPO7-2 + log_k 6.37 + delta_h -36.39 #kJ/mol +# Enthalpy of formation: -1932.160 kJ/mol 76DEL/HEP + -analytic -52.54337E-4 00E+0 19.00782E+2 00E+0 00E+0 + +4 CO3-2 + Hf+4 = Hf(CO3)4-4 + log_k 42.9 #analogy with Zr + -analytic 42.9E+0 00E+0 00E+0 00E+0 00E+0 + +2 NO3- + Hf+4 = Hf(NO3)2+2 + log_k 2.49 #65DES/KHO recalculated; Uncertainty to include available data. + -analytic 24.9E-1 00E+0 00E+0 00E+0 00E+0 + +- H+ + Hf+4 + H2O = Hf(OH)+3 + log_k -0.2 #01RAI/XIA; Uncertainty to include available data. + -analytic -20E-2 00E+0 00E+0 00E+0 00E+0 + +- 4 H+ + Hf+4 + 4 H2O = Hf(OH)4 + log_k -11.2 #01RAI/XIA; Uncertainty to include available data. + -analytic -11.2E+0 00E+0 00E+0 00E+0 00E+0 + +- 5 H+ + Hf+4 + 5 H2O = Hf(OH)5- + log_k -20.3 #01RAI/XIA + -analytic -20.3E+0 00E+0 00E+0 00E+0 00E+0 + +- 6 H+ + Hf+4 + 6 H2O = Hf(OH)6-2 + log_k -32.8 #01RAI/XIA + -analytic -32.8E+0 00E+0 00E+0 00E+0 00E+0 + +2 SO4-2 + Hf+4 = Hf(SO4)2 + log_k 10.11 #65DES/KHO recalculated;Uncertainty to include available data. + -analytic 10.11E+0 00E+0 00E+0 00E+0 00E+0 + +Br- + Hf+4 = HfBr+3 + log_k 0.38 #67HAL/POH recalculated + -analytic 38E-2 00E+0 00E+0 00E+0 00E+0 + +Cl- + Hf+4 = HfCl+3 + log_k 2.2 #65DES/KHO and others recalculated + -analytic 22E-1 00E+0 00E+0 00E+0 00E+0 + +2 Cl- + Hf+4 = HfCl2+2 + log_k 2.05 #65DES/KHO and others recalculated; Uncertainty to include available data. + -analytic 20.5E-1 00E+0 00E+0 00E+0 00E+0 + +F- + Hf+4 = HfF+3 + log_k 9.29 #05SAW/THA and others recalculated + -analytic 92.9E-1 00E+0 00E+0 00E+0 00E+0 + +2 F- + Hf+4 = HfF2+2 + log_k 17.85 #05SAW/THA and others recalculated + -analytic 17.85E+0 00E+0 00E+0 00E+0 00E+0 + +3 F- + Hf+4 = HfF3+ + log_k 25.08 #05SAW/THA and others recalculated + -analytic 25.08E+0 00E+0 00E+0 00E+0 00E+0 + +4 F- + Hf+4 = HfF4 + log_k 31.41 #05SAW/THA and others recalculated + -analytic 31.41E+0 00E+0 00E+0 00E+0 00E+0 + +I- + Hf+4 = HfI+3 + log_k 0.02 #67HAL/POH recalculated + -analytic 20E-3 00E+0 00E+0 00E+0 00E+0 + +NO3- + Hf+4 = HfNO3+3 + log_k 1.85 #65DES/KHO 69HAL/SMO recalculated; Uncertainty to include available data. + -analytic 18.5E-1 00E+0 00E+0 00E+0 00E+0 + +SO4-2 + Hf+4 = HfSO4+2 + log_k 6.06 #65DES/KHO recalculated; Uncertainty to include available data. + -analytic 60.6E-1 00E+0 00E+0 00E+0 00E+0 + +CO3-2 + Hg+2 = Hg(CO3) + log_k 11.47 #05POW/BRO + -analytic 11.47E+0 00E+0 00E+0 00E+0 00E+0 + +H+ + CO3-2 + Hg+2 = Hg(HCO3)+ + log_k 15.8 #05POW/BRO + -analytic 15.8E+0 00E+0 00E+0 00E+0 00E+0 + +HS- + Hg+2 = Hg(HS)+ + log_k 30.5 #99BEN/GIL + -analytic 30.5E+0 00E+0 00E+0 00E+0 00E+0 + +2 HS- + Hg+2 = Hg(HS)2 + log_k 37.5 #99BEN/GIL + -analytic 37.5E+0 00E+0 00E+0 00E+0 00E+0 + +- H+ + H2O + Hg+2 = Hg(OH)+ + log_k -3.4 #05POW/BRO + -analytic -34E-1 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + 2 H2O + Hg+2 = Hg(OH)2 + log_k -5.98 #05POW/BRO + delta_h 51.5 #kJ/mol 05POW/BRO +# Enthalpy of formation: -349.950 kJ/mol + -analytic 30.42413E-1 00E+0 -26.90032E+2 00E+0 00E+0 + +- 3 H+ + 3 H2O + Hg+2 = Hg(OH)3- + log_k -21.1 #05POW/BRO + -analytic -21.1E+0 00E+0 00E+0 00E+0 00E+0 + +- H+ + Cl- + H2O + Hg+2 = Hg(OH)Cl + log_k 4.27 #05POW/BRO + -analytic 42.7E-1 00E+0 00E+0 00E+0 00E+0 + +- H+ + CO3-2 + H2O + Hg+2 = Hg(OH)CO3- + log_k 5.33 #05POW/BRO + -analytic 53.3E-1 00E+0 00E+0 00E+0 00E+0 + +- H+ + H2O + Hg2+2 = Hg2(OH)+ + log_k -5 #76BAE/MES + -analytic -50E-1 00E+0 00E+0 00E+0 00E+0 + +- H+ + H2O + 2 Hg+2 = Hg2(OH)+3 + log_k -3.33 #76BAE/MES + -analytic -33.3E-1 00E+0 00E+0 00E+0 00E+0 + +- 3 H+ + 3 H2O + 3 Hg+2 = Hg3(OH)3+3 + log_k -6.42 #76BAE/MES + -analytic -64.2E-1 00E+0 00E+0 00E+0 00E+0 + +Cl- + Hg+2 = HgCl+ + log_k 7.31 #05POW/BRO + delta_h -21.3 #kJ/mol 05POW/BRO +# Enthalpy of formation: -18.170 kJ/mol + -analytic 35.784E-1 00E+0 11.12576E+2 00E+0 00E+0 + +2 Cl- + Hg+2 = HgCl2 + log_k 14 #05POW/BRO + delta_h -49.1 #kJ/mol 05POW/BRO +# Enthalpy of formation: -213.050 kJ/mol + -analytic 53.98049E-1 00E+0 25.64672E+2 00E+0 00E+0 + +3 Cl- + Hg+2 = HgCl3- + log_k 14.93 #05POW/BRO + delta_h -48.6 #kJ/mol 05POW/BRO +# Enthalpy of formation: -379.630 kJ/mol + -analytic 64.15645E-1 00E+0 25.38555E+2 00E+0 00E+0 + +4 Cl- + Hg+2 = HgCl4-2 + log_k 15.54 #05POW/BRO + delta_h -59.1 #kJ/mol 05POW/BRO +# Enthalpy of formation: -557.210 kJ/mol + -analytic 51.86124E-1 00E+0 30.87008E+2 00E+0 00E+0 + +- H+ + H2(PO4)- + Hg+2 = HgHPO4 + log_k 2.86 #05POW/BRO + -analytic 28.6E-1 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + H2(PO4)- + Hg+2 = HgPO4- + log_k -2.63 #05POW/BRO + -analytic -26.3E-1 00E+0 00E+0 00E+0 00E+0 + +- H+ + HS- + Hg+2 = HgS + log_k 26.5 #99BEN/GIL + -analytic 26.5E+0 00E+0 00E+0 00E+0 00E+0 + +- H+ + 2 HS- + Hg+2 = HgS(HS)- + log_k 32 #99BEN/GIL + -analytic 32E+0 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + 2 HS- + Hg+2 = HgS2-2 + log_k 23.5 #99BEN/GIL + -analytic 23.5E+0 00E+0 00E+0 00E+0 00E+0 + +SO4-2 + Hg+2 = HgSO4 + log_k 2.68 #05POW/BRO + -analytic 26.8E-1 00E+0 00E+0 00E+0 00E+0 + +H+ + MoO4-2 = HMoO4- + log_k 4.11 #68SAS/SIL, 64AVE/ANA + delta_h 58.576 #kJ/mol 68ARN/SZI in 76BAE/MES +# Enthalpy of formation: -938.424 kJ/mol + -analytic 14.37207E+0 00E+0 -30.59638E+2 00E+0 00E+0 + +Ho+3 + CO3-2 = Ho(CO3)+ + log_k 8 #95SPA/BRU + delta_h -55.444 #kJ/mol +# Enthalpy of formation: -1437.717 kJ/mol + -analytic -17.13372E-1 00E+0 28.96042E+2 00E+0 00E+0 + +Ho+3 + 2 CO3-2 = Ho(CO3)2- + log_k 13.3 #95SPA/BRU + -analytic 13.3E+0 00E+0 00E+0 00E+0 00E+0 + +Ho+3 + 3 CO3-2 = Ho(CO3)3-3 + log_k 14.8 #05VER/VIT2 + -analytic 14.8E+0 00E+0 00E+0 00E+0 00E+0 + +Ho+3 + H2(PO4)- = Ho(H2PO4)+2 + log_k 2.3 #95SPA/BRU + -analytic 23E-1 00E+0 00E+0 00E+0 00E+0 + +H+ + Ho+3 + CO3-2 = Ho(HCO3)+2 + log_k 12.5 #95SPA/BRU + -analytic 12.5E+0 00E+0 00E+0 00E+0 00E+0 + +- H+ + Ho+3 + H2(PO4)- = Ho(HPO4)+ + log_k -1.41 #95SPA/BRU + -analytic -14.1E-1 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + Ho+3 + 2 H2(PO4)- = Ho(HPO4)2- + log_k -4.52 #95SPA/BRU + -analytic -45.2E-1 00E+0 00E+0 00E+0 00E+0 + +Ho+3 + NO3- = Ho(NO3)+2 + log_k 0.5 #95SPA/BRU + -analytic 50E-2 00E+0 00E+0 00E+0 00E+0 + +- H+ + Ho+3 + H2O = Ho(OH)+2 + log_k -7.9 #95SPA/BRU + delta_h 53.296 #kJ/mol +# Enthalpy of formation: -939.576 kJ/mol + -analytic 14.37058E-1 00E+0 -27.83844E+2 00E+0 00E+0 + +- 2 H+ + Ho+3 + 2 H2O = Ho(OH)2+ + log_k -15.7 #07NEC/ALT2 + delta_h 105.862 #kJ/mol +# Enthalpy of formation: -1172.840 kJ/mol + -analytic 28.46226E-1 00E+0 -55.29557E+2 00E+0 00E+0 + +- 3 H+ + Ho+3 + 3 H2O = Ho(OH)3 + log_k -26.2 #07NEC/ALT2 + delta_h 164.617 #kJ/mol +# Enthalpy of formation: -1399.915 kJ/mol + -analytic 26.3966E-1 00E+0 -85.98545E+2 00E+0 00E+0 + +- 4 H+ + Ho+3 + 4 H2O = Ho(OH)4- + log_k -40.7 #07NEC/ALT2 + delta_h 236.939 #kJ/mol +# Enthalpy of formation: -1613.422 kJ/mol + -analytic 80.99309E-2 00E+0 -12.37619E+3 00E+0 00E+0 + +- 2 H+ + Ho+3 + H2(PO4)- = Ho(PO4) + log_k -6.96 #95SPA/BRU + -analytic -69.6E-1 00E+0 00E+0 00E+0 00E+0 + +- 4 H+ + Ho+3 + 2 H2(PO4)- = Ho(PO4)2-3 + log_k -17.82 #95SPA/BRU + -analytic -17.82E+0 00E+0 00E+0 00E+0 00E+0 + +Ho+3 + SO4-2 = Ho(SO4)+ + log_k 3.4 #95SPA/BRU + delta_h 15.384 #kJ/mol +# Enthalpy of formation: -1600.998 kJ/mol + -analytic 60.95161E-1 00E+0 -80.35623E+1 00E+0 00E+0 + +Ho+3 + 2 SO4-2 = Ho(SO4)2- + log_k 4.9 #95SPA/BRU + delta_h 23.668 #kJ/mol +# Enthalpy of formation: -2502.054 kJ/mol + -analytic 90.46456E-1 00E+0 -12.36266E+2 00E+0 00E+0 + +Ho+3 + Cl- = HoCl+2 + log_k 0.74 #Original data from 01LUO/BYR and 04LUO/BYR + delta_h 7.959 #kJ/mol +# Enthalpy of formation: -866.163 kJ/mol + -analytic 21.34357E-1 00E+0 -41.57275E+1 00E+0 00E+0 + +Ho+3 + 2 Cl- = HoCl2+ + log_k -0.29 #81TUR/WHI + delta_h 25.862 #kJ/mol +# Enthalpy of formation: -1015.340 kJ/mol + -analytic 42.40828E-1 00E+0 -13.50866E+2 00E+0 00E+0 + +Ho+3 + F- = HoF+2 + log_k 4.33 #07LUO/BYR + delta_h 10.02 #kJ/mol 04LUO/MIL +# Enthalpy of formation: -1032.372 kJ/mol + -analytic 60.85429E-1 00E+0 -52.33811E+1 00E+0 00E+0 + +Ho+3 + 2 F- = HoF2+ + log_k 6.52 #Original data from 99SCH/BYR and 04LUO/BYR + delta_h 21.11 #kJ/mol 04LUO/MIL +# Enthalpy of formation: -1356.632 kJ/mol + -analytic 10.21831E+0 00E+0 -11.02652E+2 00E+0 00E+0 + +- H+ + Ho+3 + H4(SiO4) = HoSiO(OH)3+2 + log_k -2.62 #Original data from 07THA/SIN and 96JEN/CHO1 + -analytic -26.2E-1 00E+0 00E+0 00E+0 00E+0 + +H+ + Phthalat-2 = HPhthalat- + log_k 5.34 #10RIC/SAB1 + -analytic 53.4E-1 00E+0 00E+0 00E+0 00E+0 + +- H+ + H2(PO4)- = HPO4-2 + log_k -7.21 + delta_h 3.6 #kJ/mol +# Enthalpy of formation: -1299.000 kJ/mol 89COX/WAG + -analytic -65.79307E-1 00E+0 -18.80411E+1 00E+0 00E+0 + +H+ + S2O4-2 = HS2O4- + log_k 2.5 #04CHI + delta_h 3.818 #kJ/mol +# Enthalpy of formation: -749.683 kJ/mol + -analytic 31.68885E-1 00E+0 -19.9428E+1 00E+0 00E+0 + +- H+ - 2 e- + SO4-2 + H2O = HSO5- + log_k -60.21 + delta_h 419.54 #kJ/mol +# Enthalpy of formation: -775.630 kJ/mol 88SHO/HEL + -analytic 13.29025E+0 00E+0 -21.9141E+3 00E+0 00E+0 + +- 2 e- + 3 I- = I3- +# DLP: This species will be in the I(-1) mole balance + log_k -18.17 + delta_h 118.877 #kJ/mol +# Enthalpy of formation: -51.463 kJ/mol 92JOH/OEL + -analytic 26.56356E-1 00E+0 -62.09378E+2 00E+0 00E+0 + +- 2 e- + 2 Cl- + I- = ICl2- +# DLP: This species will be in the I(-1) and Cl(-1) mole balances + log_k -26.8 #96FAL/REA + -analytic -26.8E+0 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ - 2 e- + I- + H2O = IO- + log_k -44 #96FAL/REA + -analytic -44E+0 00E+0 00E+0 00E+0 00E+0 + +- 8 H+ - 8 e- + I- + 4 H2O = IO4- + log_k -164.98 + delta_h 1048.639 #kJ/mol +# Enthalpy of formation: -151.461 kJ/mol 92JOH/OEL + -analytic 18.73367E+0 00E+0 -54.77423E+3 00E+0 00E+0 + +K+ + Edta-4 = K(Edta)-3 + log_k 1.8 #05HUM/AND + -analytic 18E-1 00E+0 00E+0 00E+0 00E+0 + +K+ + H+ + Nta-3 = K(HNta)- + log_k 10.3 #95AKR/BOU + -analytic 10.3E+0 00E+0 00E+0 00E+0 00E+0 + +K+ - H+ + H2(PO4)- = K(HPO4)- + log_k -6.4 #97MAR/SMI + delta_h 31.589 #kJ/mol 97MAR/SMI +# Enthalpy of formation: -1523.151 kJ/mol + -analytic -86.58448E-2 00E+0 -16.50008E+2 00E+0 00E+0 + +K+ + IO3- = K(IO3) + log_k 0.02 #estimation NEA87 08/2/95 + -analytic 20E-3 00E+0 00E+0 00E+0 00E+0 + +K+ + Nta-3 = K(Nta)-2 + log_k 1.3 #95AKR/BOU + -analytic 13E-1 00E+0 00E+0 00E+0 00E+0 + +K+ + Pyrophos-4 = K(Pyrophos)-3 + log_k 2.1 #76MAR/SMI + delta_h 7.113 #kJ/mol 76MAR/SMI + -analytic 33.46144E-1 00E+0 -37.15379E+1 00E+0 00E+0 + +K+ + I- = KI + log_k -1.57 + delta_h 9.011 #kJ/mol +# Enthalpy of formation: -299.909 kJ/mol 92JOH/OEL + -analytic 86.59435E-4 00E+0 -47.06773E+1 00E+0 00E+0 + +K+ - 2 H+ + H2(PO4)- = KPO4-2 + log_k -18.26 #97MAR/SMI + -analytic -18.26E+0 00E+0 00E+0 00E+0 00E+0 + +Mg+2 + Cit-3 = Mg(Cit)- + log_k 4.81 #05HUM/AND + -analytic 48.1E-1 00E+0 00E+0 00E+0 00E+0 + +Mg+2 + CO3-2 = Mg(CO3) + log_k 2.98 #97SVE/SHO + delta_h 8.81 #kJ/mol +# Enthalpy of formation: -1133.420 kJ/mol + -analytic 45.23446E-1 00E+0 -46.01783E+1 00E+0 00E+0 + +Mg+2 + Edta-4 = Mg(Edta)-2 + log_k 10.9 #05HUM/AND + delta_h 19.8 #kJ/mol 05HUM/AND +# Enthalpy of formation: -2152.000 kJ/mol + -analytic 14.36881E+0 00E+0 -10.34226E+2 00E+0 00E+0 + +Mg+2 + 2 H+ + Cit-3 = Mg(H2Cit)+ + log_k 12.45 #05HUM/AND + -analytic 12.45E+0 00E+0 00E+0 00E+0 00E+0 + +Mg+2 + H2(PO4)- = Mg(H2PO4)+ + log_k 1.17 #81TUR/WHI + delta_h 13.514 #kJ/mol 96BOU1 +# Enthalpy of formation: -1756.086 kJ/mol + -analytic 35.37551E-1 00E+0 -70.58854E+1 00E+0 00E+0 + +Mg+2 - H+ + H4(SiO4) = Mg(H3SiO4)+ + log_k -8.58 #97SVE/SHO + delta_h 27.114 #kJ/mol +# Enthalpy of formation: -1901.080 kJ/mol + -analytic -38.29831E-1 00E+0 -14.16263E+2 00E+0 00E+0 + +Mg+2 + H+ + Cit-3 = Mg(HCit) + log_k 8.96 #05HUM/AND + -analytic 89.6E-1 00E+0 00E+0 00E+0 00E+0 + +Mg+2 + H+ + CO3-2 = Mg(HCO3)+ + log_k 11.37 #95SHO/KOR + delta_h -12.888 #kJ/mol +# Enthalpy of formation: -1155.118 kJ/mol + -analytic 91.12119E-1 00E+0 67.31871E+1 00E+0 00E+0 + +Mg+2 + H+ + Edta-4 = Mg(HEdta)- + log_k 15.4 #05HUM/AND + -analytic 15.4E+0 00E+0 00E+0 00E+0 00E+0 + +Mg+2 + HGlu- = Mg(HGlu)+ + log_k 0.81 #19KUT/DUD + -analytic 81E-2 00E+0 00E+0 00E+0 00E+0 + +Mg+2 + HIsa- = Mg(HIsa)+ + log_k 0.81 #Analogy with Mg(HGlu)+ + -analytic 81E-2 00E+0 00E+0 00E+0 00E+0 + +Mg+2 + H+ + Malonate-2 = Mg(HMalonate)+ + log_k 7.05 #13GRI/CAM + -analytic 70.5E-1 00E+0 00E+0 00E+0 00E+0 + +Mg+2 - H+ + H2(PO4)- = Mg(HPO4) + log_k -4.3 #76SMI/MAR + delta_h 16.152 #kJ/mol 76SMI/MAR +# Enthalpy of formation: -1753.448 kJ/mol + -analytic -14.70291E-1 00E+0 -84.36777E+1 00E+0 00E+0 + +Mg+2 + H+ + Succinat-2 = Mg(HSuccinat)+ + log_k 6.72 #13GRI/CAM + -analytic 67.2E-1 00E+0 00E+0 00E+0 00E+0 + +Mg+2 + IO3- = Mg(IO3)+ + log_k 0.7 #estimation NEA87 08/2/95 + -analytic 70E-2 00E+0 00E+0 00E+0 00E+0 + +Mg+2 + Malonate-2 = Mg(Malonate) + log_k 2.86 #76KLA/OST + -analytic 28.6E-1 00E+0 00E+0 00E+0 00E+0 + +Mg+2 + NH3 = Mg(NH3)+2 + log_k 0.1 + delta_h 0.022 #kJ/mol +# Enthalpy of formation: -548.148 kJ/mol 03-91 MINTEQL-PSI + -analytic 10.38542E-2 00E+0 -11.4914E-1 00E+0 00E+0 + +Mg+2 + 2 NH3 = Mg(NH3)2+2 + log_k 0 + delta_h 0.044 #kJ/mol +# Enthalpy of formation: -629.296 kJ/mol 03-91 MINTEQL-PSI + -analytic 77.08469E-4 00E+0 -22.9828E-1 00E+0 00E+0 + +Mg+2 + 3 NH3 = Mg(NH3)3+2 + log_k -0.3 + delta_h 0.066 #kJ/mol +# Enthalpy of formation: -710.444 kJ/mol 03-91 MINTEQL-PSI + -analytic -28.84373E-2 00E+0 -34.4742E-1 00E+0 00E+0 + +Mg+2 + 4 NH3 = Mg(NH3)4+2 + log_k -1 + delta_h 0.088 #kJ/mol +# Enthalpy of formation: -791.592 kJ/mol 03-91 MINTEQL-PSI + -analytic -98.45831E-2 00E+0 -45.9656E-1 00E+0 00E+0 + +Mg+2 + Nta-3 = Mg(Nta)- + log_k 6.79 #95AKR/BOU + -analytic 67.9E-1 00E+0 00E+0 00E+0 00E+0 + +Mg+2 - H+ + HGlu- + H2O = Mg(OH)(HGlu) + log_k -9.1 #19KUT/DUD + -analytic -91E-1 00E+0 00E+0 00E+0 00E+0 + +Mg+2 - H+ + HIsa- + H2O = Mg(OH)(HIsa) + log_k -9.1 #Analogy with Mg(OH)(HGlu) + -analytic -91E-1 00E+0 00E+0 00E+0 00E+0 + +Mg+2 - H+ + H2O = Mg(OH)+ + log_k -11.68 #97SHO/SAS2; Uncertainty to include available data. + delta_h 62.834 #kJ/mol +# Enthalpy of formation: -689.995 kJ/mol + -analytic -67.19557E-2 00E+0 -32.82048E+2 00E+0 00E+0 + +Mg+2 - 2 H+ + HGlu- + 2 H2O = Mg(OH)2(HGlu)- + log_k -20.44 #19KUT/DUD + -analytic -20.44E+0 00E+0 00E+0 00E+0 00E+0 + +Mg+2 - 2 H+ + HIsa- + 2 H2O = Mg(OH)2(HIsa)- + log_k -20.44 #Analogy with Mg(OH)2(HGlu)- + -analytic -20.44E+0 00E+0 00E+0 00E+0 00E+0 + +Mg+2 + Ox-2 = Mg(Ox) + log_k 3.56 #05HUM/AND + -analytic 35.6E-1 00E+0 00E+0 00E+0 00E+0 + +Mg+2 + 2 Ox-2 = Mg(Ox)2-2 + log_k 5.17 #05HUM/AND + -analytic 51.7E-1 00E+0 00E+0 00E+0 00E+0 + +Mg+2 - 2 H+ + H2(PO4)- = Mg(PO4)- + log_k -14.71 #81TUR/WHI + delta_h 31.17 #kJ/mol 96BOU1 +# Enthalpy of formation: -1738.430 kJ/mol + -analytic -92.4925E-1 00E+0 -16.28122E+2 00E+0 00E+0 + +Mg+2 + Pyrophos-4 = Mg(Pyrophos)-2 + log_k 7.2 #76SMI/MAR + delta_h 12.54 #kJ/mol + -analytic 93.96914E-1 00E+0 -65.50098E+1 00E+0 00E+0 + +Mg+2 + S2O3-2 = Mg(S2O3) + log_k 1.82 #76SMI/MAR + -analytic 18.2E-1 00E+0 00E+0 00E+0 00E+0 + +Mg+2 + SeO4-2 = Mg(SeO4) + log_k 2.2 #05OLI/NOL + delta_h -6.614 #kJ/mol +# Enthalpy of formation: -1077.114 kJ/mol + -analytic 10.41277E-1 00E+0 34.54733E+1 00E+0 00E+0 + +Mg+2 + SO4-2 = Mg(SO4) + log_k 2.23 #76SMI/MAR + delta_h 5.858 #kJ/mol 76SMI/MAR +# Enthalpy of formation: -1370.482 kJ/mol + -analytic 32.56278E-1 00E+0 -30.59847E+1 00E+0 00E+0 + +Mg+2 + Succinat-2 = Mg(Succinat) + log_k 2.27 #13GRI/CAM + -analytic 22.7E-1 00E+0 00E+0 00E+0 00E+0 + +2 Mg+2 + UO2+2 + 3 CO3-2 = Mg2UO2(CO3)3 + log_k 27.1 #20GRE/GAO + -analytic 27.1E+0 00E+0 00E+0 00E+0 00E+0 + +4 Mg+2 - 4 H+ + 4 H2O = Mg4(OH)4+4 + log_k -39.75 #76BAE/MES + delta_h 229.186 #kJ/mol +# Enthalpy of formation: -2782.132 kJ/mol + -analytic 40.16637E-2 00E+0 -11.97122E+3 00E+0 00E+0 + +Mg+2 + B(OH)4- = MgB(OH)4+ + log_k 1.6 #97CRO + -analytic 16E-1 00E+0 00E+0 00E+0 00E+0 + +Mg+2 + Br- = MgBr+ + log_k -0.14 #88CHA/NEW + -analytic -14E-2 00E+0 00E+0 00E+0 00E+0 + +Mg+2 + Cl- = MgCl+ + log_k 0.35 #96BOU1 + delta_h -1.728 #kJ/mol +# Enthalpy of formation: -635.808 kJ/mol + -analytic 47.2674E-3 00E+0 90.25973E+0 00E+0 00E+0 + +Mg+2 + F- = MgF+ + log_k 1.8 #96BOU + delta_h 13.389 #kJ/mol 96BOU +# Enthalpy of formation: -788.961 kJ/mol + -analytic 41.45652E-1 00E+0 -69.93562E+1 00E+0 00E+0 + +Mg+2 + I- = MgI+ + log_k 0.18 #92JOH/OEL + -analytic 18E-2 00E+0 00E+0 00E+0 00E+0 + +Mg+2 + 2 I- = MgI2 + log_k 0.03 #92JOH/OEL + -analytic 30E-3 00E+0 00E+0 00E+0 00E+0 + +Mg+2 + UO2+2 + 3 CO3-2 = MgUO2(CO3)3-2 + log_k 26.2 #20GRE/GAO + delta_h -50.9 #kJ/mol 21SHA/REI +# Enthalpy of formation: -3562.590 kJ/mol + -analytic 17.2827E+0 00E+0 26.58692E+2 00E+0 00E+0 + +Mn+2 + CO3-2 = Mn(CO3) + log_k 6.5 #96FAL/REA + -analytic 65E-1 00E+0 00E+0 00E+0 00E+0 + +Mn+2 + H+ + CO3-2 = Mn(HCO3)+ + log_k 11.61 #95CHI + -analytic 11.61E+0 00E+0 00E+0 00E+0 00E+0 + +Mn+2 - H+ + H2(PO4)- = Mn(HPO4) + log_k -3.26 #96FAL/REA + -analytic -32.6E-1 00E+0 00E+0 00E+0 00E+0 + +Mn+2 - 2 H+ + 2 H2(PO4)- = Mn(HPO4)2-2 + log_k -9.12 #96FAL/REA + -analytic -91.2E-1 00E+0 00E+0 00E+0 00E+0 + +Mn+2 + IO3- = Mn(IO3)+ + log_k 0.84 #estimation NEA87 08/2/95 + -analytic 84E-2 00E+0 00E+0 00E+0 00E+0 + +Mn+2 + 2 IO3- = Mn(IO3)2 + log_k 0.13 #estimation NEA87 08/2/95 + -analytic 13E-2 00E+0 00E+0 00E+0 00E+0 + +Mn+2 + NH3 = Mn(NH3)+2 + log_k 0.7 #88CHA/NEW + -analytic 70E-2 00E+0 00E+0 00E+0 00E+0 + +Mn+2 + 2 NH3 = Mn(NH3)2+2 + log_k 1.2 #88CHA/NEW + -analytic 12E-1 00E+0 00E+0 00E+0 00E+0 + +Mn+2 + NO3- = Mn(NO3)+ + log_k 0.16 #96FAL/REA + -analytic 16E-2 00E+0 00E+0 00E+0 00E+0 + +Mn+2 + 2 NO3- = Mn(NO3)2 + log_k 0.5 #96FAL/REA + -analytic 50E-2 00E+0 00E+0 00E+0 00E+0 + +Mn+2 - H+ + H2O = Mn(OH)+ + log_k -10.59 #95CHI + -analytic -10.59E+0 00E+0 00E+0 00E+0 00E+0 + +Mn+2 - 2 H+ + 2 H2O = Mn(OH)2 + log_k -22.2 #95CHI + -analytic -22.2E+0 00E+0 00E+0 00E+0 00E+0 + +Mn+2 - 3 H+ + 3 H2O = Mn(OH)3- + log_k -34.8 #95CHI + -analytic -34.8E+0 00E+0 00E+0 00E+0 00E+0 + +Mn+2 - 4 H+ + 4 H2O = Mn(OH)4-2 + log_k -48.3 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/91PEA/BER 11891 EN; Nagra TR 91-18 (mai 1992, Hatches 3.0) (provient de la base 0391 MINEQL- PSY) + -analytic -48.3E+0 00E+0 00E+0 00E+0 00E+0 + +Mn+2 + Pyrophos-4 = Mn(Pyrophos)-2 + log_k 6 #88CHA/NEW + -analytic 60E-1 00E+0 00E+0 00E+0 00E+0 + +Mn+2 + S2O3-2 = Mn(S2O3) + log_k 1.9 #88CHA/NEW + -analytic 19E-1 00E+0 00E+0 00E+0 00E+0 + +Mn+2 + SeO4-2 = Mn(SeO4) + log_k 2.43 #05OLI/NOL + delta_h -1.56 #kJ/mol +# Enthalpy of formation: -825.861 kJ/mol + -analytic 21.567E-1 00E+0 81.48448E+0 00E+0 00E+0 + +Mn+2 + SO4-2 = Mn(SO4) + log_k 2.25 #95CHI + delta_h 14.1 #kJ/mol 95CHI +# Enthalpy of formation: -1116.040 kJ/mol + -analytic 47.20214E-1 00E+0 -73.64943E+1 00E+0 00E+0 + +Mn+2 - e- = Mn+3 + log_k -25.51 #96FAL/REA + -analytic -25.51E+0 00E+0 00E+0 00E+0 00E+0 + +2 Mn+2 - H+ + H2O = Mn2(OH)+3 + log_k -10.1 #96FAL/REA + -analytic -10.1E+0 00E+0 00E+0 00E+0 00E+0 + +2 Mn+2 - 3 H+ + 3 H2O = Mn2(OH)3+ + log_k -24.9 #96FAL/REA + -analytic -24.9E+0 00E+0 00E+0 00E+0 00E+0 + +Mn+2 + Br- = MnBr+ + log_k 0.13 #88CHA/NEW + -analytic 13E-2 00E+0 00E+0 00E+0 00E+0 + +Mn+2 + Cl- = MnCl+ + log_k 0.27 + delta_h 18.516 #kJ/mol +# Enthalpy of formation: -369.364 kJ/mol 97SVE/SHO + -analytic 35.13864E-1 00E+0 -96.7158E+1 00E+0 00E+0 + +Mn+2 + 2 Cl- = MnCl2 + log_k 0.25 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) + -analytic 25E-2 00E+0 00E+0 00E+0 00E+0 + +Mn+2 + 3 Cl- = MnCl3- + log_k -0.31 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) + -analytic -31E-2 00E+0 00E+0 00E+0 00E+0 + +Mn+2 + F- = MnF+ + log_k 0.85 #96FAL/REA + -analytic 85E-2 00E+0 00E+0 00E+0 00E+0 + +Mn+2 + 2 F- = MnF2 + log_k 9.04 #88CHA/NEW + -analytic 90.4E-1 00E+0 00E+0 00E+0 00E+0 + +Mn+2 + 3 F- = MnF3- + log_k 11.64 #88CHA/NEW + -analytic 11.64E+0 00E+0 00E+0 00E+0 00E+0 + +Mn+2 + 4 F- = MnF4-2 + log_k 13.4 #88CHA/NEW + -analytic 13.4E+0 00E+0 00E+0 00E+0 00E+0 + +Mn+2 + 5 F- = MnF5-3 + log_k 14.7 #88CHA/NEW + -analytic 14.7E+0 00E+0 00E+0 00E+0 00E+0 + +Mn+2 + 6 F- = MnF6-4 + log_k 15.5 #88CHA/NEW + -analytic 15.5E+0 00E+0 00E+0 00E+0 00E+0 + +Mn+2 + I- = MnI+ + log_k 0.23 #92JOH/OEL + -analytic 23E-2 00E+0 00E+0 00E+0 00E+0 + +Mn+2 - 8 H+ - 5 e- + 4 H2O = MnO4- + log_k -127.81 + delta_h 822.71 #kJ/mol +# Enthalpy of formation: -541.410 kJ/mol 92JOH/OEL + -analytic 16.3226E+0 00E+0 -42.97314E+3 00E+0 00E+0 + +Mn+2 - 8 H+ - 4 e- + 4 H2O = MnO4-2 + log_k -118.43 + delta_h 711.416 #kJ/mol +# Enthalpy of formation: -652.704 kJ/mol 92JOH/OEL + -analytic 62.04733E-1 00E+0 -37.15985E+3 00E+0 00E+0 + +Mn+2 - 8 H+ - 3 e- + 4 H2O = MnO4-3 + log_k -113 #96FAL/REA + -analytic -11.3E+1 00E+0 00E+0 00E+0 00E+0 + +8 H+ + 3 e- + MoO4-2 - 4 H2O = Mo+3 + log_k 21.76 #68SAS/SIL + -analytic 21.76E+0 00E+0 00E+0 00E+0 00E+0 + +34 H+ + 19 MoO4-2 - 17 H2O = Mo19O59-4 + log_k 196.3 #68SAS/SIL + -analytic 19.63E+1 00E+0 00E+0 00E+0 00E+0 + +5 H+ + 2 MoO4-2 - 2 H2O = Mo2O5(OH)+ + log_k 19 #68SAS/SIL + -analytic 19E+0 00E+0 00E+0 00E+0 00E+0 + +11 H+ + 7 MoO4-2 - 4 H2O = Mo7O21(OH)3-3 + log_k 66.48 #68SAS/SIL, 64AVE/ANA + delta_h -222.589 #kJ/mol 68ARN/SZI in 76BAE/MES +# Enthalpy of formation: -6058.269 kJ/mol + -analytic 27.48408E+0 00E+0 11.62663E+3 00E+0 00E+0 + +10 H+ + 7 MoO4-2 - 4 H2O = Mo7O22(OH)2-4 + log_k 62.71 #68SAS/SIL, 64AVE/ANA + delta_h -220.079 #kJ/mol 68ARN/SZI in 76BAE/MES +# Enthalpy of formation: -6055.759 kJ/mol + -analytic 24.15381E+0 00E+0 11.49553E+3 00E+0 00E+0 + +9 H+ + 7 MoO4-2 - 4 H2O = Mo7O23(OH)-5 + log_k 57.21 #68SAS/SIL, 64AVE/ANA + delta_h -223.426 #kJ/mol 68ARN/SZI in 76BAE/MES +# Enthalpy of formation: -6059.106 kJ/mol + -analytic 18.06745E+0 00E+0 11.67035E+3 00E+0 00E+0 + +8 H+ + 7 MoO4-2 - 4 H2O = Mo7O24-6 + log_k 50.35 #68SAS/SIL, 64AVE/ANA + delta_h -234.304 #kJ/mol 68ARN/SZI in 76BAE/MES +# Enthalpy of formation: -6069.984 kJ/mol + -analytic 93.01701E-1 00E+0 12.23855E+3 00E+0 00E+0 + +Na+ + CO3-2 = Na(CO3)- + log_k 1.27 #90NOR/PLU + delta_h 37.279 #kJ/mol 90NOR/PLU +# Enthalpy of formation: -878.291 kJ/mol + -analytic 78.01E-1 00E+0 -19.47218E+2 00E+0 00E+0 + +Na+ + Edta-4 = Na(Edta)-3 + log_k 2.8 #05HUM/AND + delta_h -4 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1949.140 kJ/mol + -analytic 20.9923E-1 00E+0 20.89346E+1 00E+0 00E+0 + +Na+ + H+ + CO3-2 = Na(HCO3) + log_k 10.08 #90NOR/PLU + delta_h -26.127 #kJ/mol +# Enthalpy of formation: -941.697 kJ/mol + -analytic 55.02746E-1 00E+0 13.64708E+2 00E+0 00E+0 + +Na+ + H+ + Nta-3 = Na(HNta)- + log_k 10.32 #95AKR/BOU + -analytic 10.32E+0 00E+0 00E+0 00E+0 00E+0 + +Na+ - H+ + H2(PO4)- = Na(HPO4)- + log_k -6.34 #97MAR/SMI + delta_h 34.936 #kJ/mol 97MAR/SMI +# Enthalpy of formation: -1508.004 kJ/mol + -analytic -21.94755E-2 00E+0 -18.24834E+2 00E+0 00E+0 + +Na+ + IO3- = Na(IO3) + log_k 0.06 #estimation NEA87 08/2/95 + -analytic 60E-3 00E+0 00E+0 00E+0 00E+0 + +Na+ + Nta-3 = Na(Nta)-2 + log_k 1.88 #95AKR/BOU + -analytic 18.8E-1 00E+0 00E+0 00E+0 00E+0 + +Na+ + S2O3-2 = Na(S2O3)- + log_k 0.61 + delta_h 4.656 #kJ/mol +# Enthalpy of formation: -887.970 kJ/mol 82WAG/EVA + -analytic 14.25696E-1 00E+0 -24.31998E+1 00E+0 00E+0 + +2 Na+ + Pyrophos-4 = Na2(Pyrophos)-2 + log_k 2.29 #76SMI/MAR + delta_h 5.858 #kJ/mol 76SMI/MAR + -analytic 33.16278E-1 00E+0 -30.59847E+1 00E+0 00E+0 + +Na+ + Al+3 - 4 H+ + 4 H2O = NaAl(OH)4 + log_k -23.63 + delta_h 190.348 #kJ/mol +# Enthalpy of formation: -1731.712 kJ/mol 95POK/HEL + -analytic 97.17538E-1 00E+0 -99.42568E+2 00E+0 00E+0 + +Na+ + B(OH)4- = NaB(OH)4 + log_k -0.1 + delta_h 1.226 #kJ/mol +# Enthalpy of formation: -1584.230 kJ/mol + -analytic 11.4786E-2 00E+0 -64.03844E+0 00E+0 00E+0 + +Na+ + F- = NaF + log_k -0.45 #96BOU + delta_h -12.552 #kJ/mol 96BOU +# Enthalpy of formation: -588.242 kJ/mol + -analytic -26.49016E-1 00E+0 65.56366E+1 00E+0 00E+0 + +Na+ + H2(PO4)- = NaH2PO4 + log_k 0.41 #97MAR/SMI + -analytic 41E-2 00E+0 00E+0 00E+0 00E+0 + +Na+ + I- = NaI + log_k -1.52 + delta_h 7.252 #kJ/mol +# Enthalpy of formation: -289.868 kJ/mol 92JOH/OEL + -analytic -24.95041E-2 00E+0 -37.87983E+1 00E+0 00E+0 + +Na+ - 2 H+ + H2(PO4)- = NaPO4-2 + log_k -18.07 #97MAR/SMI + -analytic -18.07E+0 00E+0 00E+0 00E+0 00E+0 + +3 H+ + Nb(OH)6- - 3 H2O = Nb(OH)3+2 + log_k 7.5 #97PEI/NGU + delta_h -10.23 #kJ/mol 97PEI/NGU +# Enthalpy of formation: -1078.398 kJ/mol + -analytic 57.07781E-1 00E+0 53.43501E+1 00E+0 00E+0 + +2 H+ + Nb(OH)6- - 2 H2O = Nb(OH)4+ + log_k 6.64 #97PEI/NGU + delta_h -35.35 #kJ/mol 97PEI/NGU +# Enthalpy of formation: -1389.348 kJ/mol + -analytic 44.69458E-2 00E+0 18.46459E+2 00E+0 00E+0 + +H+ + Nb(OH)6- - H2O = Nb(OH)5 + log_k 5.08 #97PEI/NGU + delta_h -13.39 #kJ/mol 97PEI/NGU +# Enthalpy of formation: -1653.218 kJ/mol + -analytic 27.34173E-1 00E+0 69.94084E+1 00E+0 00E+0 + +- H+ + Nb(OH)6- + H2O = Nb(OH)7-2 + log_k -8.88 #97PEI/NGU + delta_h 10.17 #kJ/mol 97PEI/NGU +# Enthalpy of formation: -2201.318 kJ/mol + -analytic -70.98292E-1 00E+0 -53.12161E+1 00E+0 00E+0 + +5 H+ + Nb(OH)6- + Cit-3 - 4 H2O = NbO2(H3Cit)+ + log_k 25.64 #95AKR/BOU + -analytic 25.64E+0 00E+0 00E+0 00E+0 00E+0 + +3 H+ + Nb(OH)6- + Ox-2 - 4 H2O = NbO2(HOx) + log_k 13.7 #95AKR/BOU + -analytic 13.7E+0 00E+0 00E+0 00E+0 00E+0 + +4 H+ + Nb(OH)6- + 2 Ox-2 - 4 H2O = NbO2(HOx)2- + log_k 20.96 #95AKR/BOU + -analytic 20.96E+0 00E+0 00E+0 00E+0 00E+0 + +2 H+ + Nb(OH)6- + Ox-2 - 4 H2O = NbO2(Ox)- + log_k 10.94 #95AKR/BOU + -analytic 10.94E+0 00E+0 00E+0 00E+0 00E+0 + +H+ + NH3 = NH4+ + log_k 9.24 + delta_h -52.09 #kJ/mol +# Enthalpy of formation: -133.260 kJ/mol 92GRE/FUG + -analytic 11.42237E-2 00E+0 27.2085E+2 00E+0 00E+0 + +Ni+2 + Acetate- = Ni(Acetate)+ + log_k 1.34 #11RIC/GRI + delta_h -8.761 #kJ/mol +# Enthalpy of formation: -549.783 kJ/mol + -analytic -19.48613E-2 00E+0 45.76189E+1 00E+0 00E+0 + +Ni+2 + Cit-3 = Ni(Cit)- + log_k 6.76 #05HUM/AND + -analytic 67.6E-1 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + 2 Cit-3 = Ni(Cit)2-4 + log_k 8.5 #05HUM/AND + -analytic 85E-1 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + CO3-2 = Ni(CO3) + log_k 4.2 #03BAE/BRA in 05GAM/BUG + delta_h 3.546 #kJ/mol +# Enthalpy of formation: -726.696 kJ/mol + -analytic 48.21233E-1 00E+0 -18.52205E+1 00E+0 00E+0 + +Ni+2 + 2 CO3-2 = Ni(CO3)2-2 + log_k 6.2 #03BAE/BRA; Uncertainty 03HUM/CUR + -analytic 62E-1 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + Edta-4 = Ni(Edta)-2 + log_k 20.54 #05HUM/AND + delta_h -26.1 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1785.912 kJ/mol + -analytic 15.96748E+0 00E+0 13.63298E+2 00E+0 00E+0 + +Ni+2 + 2 H+ + Cit-3 = Ni(H2Cit)+ + log_k 13.19 #05HUM/AND + -analytic 13.19E+0 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + H+ + Cit-3 = Ni(HCit) + log_k 10.52 #05HUM/BER + -analytic 10.52E+0 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + H+ + CO3-2 = Ni(HCO3)+ + log_k 11.73 #03BAE/BRA; Uncertainty 03HUM/CUR + -analytic 11.73E+0 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + H+ + Edta-4 = Ni(HEdta)- + log_k 24.2 #05HUM/AND + -analytic 24.2E+0 00E+0 00E+0 00E+0 00E+0 + +Ni+2 - H+ + H2(PO4)- = Ni(HPO4) + log_k -4.16 #05GAM/BUG + -analytic -41.6E-1 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + 2 HS- = Ni(HS)2 + log_k 11.1 #02HUM/BER + -analytic 11.1E+0 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + Malonate-2 = Ni(Malonate) + log_k 4.39 #13GRI/CAM + -analytic 43.9E-1 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + 2 Malonate-2 = Ni(Malonate)2-2 + log_k 8.15 #98KHA/RAD + -analytic 81.5E-1 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + NH3 = Ni(NH3)+2 + log_k 2.61 #70LET + -analytic 26.1E-1 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + 2 NH3 = Ni(NH3)2+2 + log_k 4.76 #70LET + -analytic 47.6E-1 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + 3 NH3 = Ni(NH3)3+2 + log_k 6.79 #70LET + -analytic 67.9E-1 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + 4 NH3 = Ni(NH3)4+2 + log_k 8.34 #70LET + -analytic 83.4E-1 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + NO3- = Ni(NO3)+ + log_k 0.5 #05GAM/BUG + -analytic 50E-2 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + 2 NO3- = Ni(NO3)2 + log_k -0.6 #76SMI/MAR in 89BAE/McK; Uncertainty is by analogy with Ni(NO3)+ and is preliminary. + -analytic -60E-2 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + Nta-3 = Ni(Nta)- + log_k 12.75 #95AKR/BOU + -analytic 12.75E+0 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + 2 Nta-3 = Ni(Nta)2-4 + log_k 16.95 #95AKR/BOU + -analytic 16.95E+0 00E+0 00E+0 00E+0 00E+0 + +Ni+2 - H+ + Edta-4 + H2O = Ni(OH)(Edta)-3 + log_k 6.5 #04FEL/QAF + -analytic 65E-1 00E+0 00E+0 00E+0 00E+0 + +Ni+2 - H+ + HIsa- + H2O = Ni(OH)(HIsa) + log_k -6.5 #18GON/GAO + -analytic -65E-1 00E+0 00E+0 00E+0 00E+0 + +Ni+2 - H+ + Nta-3 + H2O = Ni(OH)(Nta)-2 + log_k 1.47 #95AKR/BOU + -analytic 14.7E-1 00E+0 00E+0 00E+0 00E+0 + +Ni+2 - H+ + H2O = Ni(OH)+ + log_k -9.54 #05GAM/BUG + delta_h 53.8 #kJ/mol 05GAM/BUG +# Enthalpy of formation: -287.042 kJ/mol + -analytic -11.46446E-2 00E+0 -28.1017E+2 00E+0 00E+0 + +Ni+2 - 2 H+ + 2 H2O = Ni(OH)2 + log_k -18 #49GAY/GAR reevaluated in 05GAM/BUG + -analytic -18E+0 00E+0 00E+0 00E+0 00E+0 + +Ni+2 - 2 H+ + HIsa- + 2 H2O = Ni(OH)2(HIsa)- + log_k -17.6 #18GON/GAO + -analytic -17.6E+0 00E+0 00E+0 00E+0 00E+0 + +Ni+2 - 3 H+ + H2(PO4)- + 2 H2O = Ni(OH)2(HPO4)-2 + log_k -23.24 #95LEM + -analytic -23.24E+0 00E+0 00E+0 00E+0 00E+0 + +Ni+2 - 3 H+ + HIsa- + 3 H2O = Ni(OH)3(HIsa)-2 + log_k -31 #18GON/GAO + -analytic -31E+0 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + Ox-2 = Ni(Ox) + log_k 5.19 #05HUM/AND + delta_h 0 #kJ/mol 05HUM/AND +# Enthalpy of formation: -885.672 kJ/mol + -analytic 51.9E-1 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + 2 Ox-2 = Ni(Ox)2-2 + log_k 7.64 #05HUM/AND + delta_h -7.8 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1724.132 kJ/mol + -analytic 62.73499E-1 00E+0 40.74224E+1 00E+0 00E+0 + +Ni+2 + Phthalat-2 = Ni(Phthalat) + log_k 3 #11GRI/COL2 + -analytic 30E-1 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + Pyrophos-4 = Ni(Pyrophos)-2 + log_k 8.73 #05GAM/BUG + -analytic 87.3E-1 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + S2O3-2 = Ni(S2O3) + log_k 2.06 #51DEU/HEI in 64SIL/MAR + -analytic 20.6E-1 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + SeO4-2 = Ni(SeO4) + log_k 2.67 #05OLI/NOL + delta_h -0.68 #kJ/mol +# Enthalpy of formation: -659.192 kJ/mol + -analytic 25.50869E-1 00E+0 35.51887E+0 00E+0 00E+0 + +Ni+2 + SO4-2 = Ni(SO4) + log_k 2.35 #05GAM/BUG + delta_h 5.66 #kJ/mol 05GAM/BUG +# Enthalpy of formation: -958.692 kJ/mol + -analytic 33.41589E-1 00E+0 -29.56424E+1 00E+0 00E+0 + +Ni+2 + 2 SO4-2 = Ni(SO4)2-2 + log_k 3.01 #89BAE/McK + -analytic 30.1E-1 00E+0 00E+0 00E+0 00E+0 + +2 Ni+2 - H+ + H2O = Ni2(OH)+3 + log_k -10.6 #05GAM/BUG + delta_h 45.9 #kJ/mol 05GAM/BUG +# Enthalpy of formation: -349.954 kJ/mol + -analytic -25.58665E-1 00E+0 -23.97524E+2 00E+0 00E+0 + +4 Ni+2 - 4 H+ + 4 H2O = Ni4(OH)4+4 + log_k -27.52 #05GAM/BUG + delta_h 190 #kJ/mol 05GAM/BUG +# Enthalpy of formation: -1173.368 kJ/mol + -analytic 57.66571E-1 00E+0 -99.24391E+2 00E+0 00E+0 + +Ni+2 + Cl- = NiCl+ + log_k 0.08 #05GAM/BUG + -analytic 80E-3 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + F- = NiF+ + log_k 1.43 #05GAM/BUG + delta_h 9.5 #kJ/mol 05GAM/BUG +# Enthalpy of formation: -380.862 kJ/mol + -analytic 30.94329E-1 00E+0 -49.62196E+1 00E+0 00E+0 + +Ni+2 + H+ + AsO4-3 = NiHAsO4 + log_k 14.5 + -analytic 14.5E+0 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + H+ + Pyrophos-4 = NiHPyrophos- + log_k 14.54 #05GAM/BUG + -analytic 14.54E+0 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + HS- = NiHS+ + log_k 5.5 #02HUM/BER + -analytic 55E-1 00E+0 00E+0 00E+0 00E+0 + +Np+4 + Acetate- = Np(Acetate)+3 + log_k 5.83 #12GRI/GAR2 + -analytic 58.3E-1 00E+0 00E+0 00E+0 00E+0 + +Np+4 + 2 Acetate- = Np(Acetate)2+2 + log_k 10 #11RIC/GRI + -analytic 10E+0 00E+0 00E+0 00E+0 00E+0 + +Np+3 + CO3-2 = Np(CO3)+ + log_k 7.67 #Estimated by correlation with An(III) in function of ionic radii + delta_h 19.064 #kJ/mol +# Enthalpy of formation: -1183.350 kJ/mol + -analytic 11.00987E+0 00E+0 -99.57821E+1 00E+0 00E+0 + +Np+3 + 2 CO3-2 = Np(CO3)2- + log_k 12.6 #Estimated by correlation with An(III) in function of ionic radii + -analytic 12.6E+0 00E+0 00E+0 00E+0 00E+0 + +Np+3 + 3 CO3-2 = Np(CO3)3-3 + log_k 15.66 #01LEM/FUG + -analytic 15.66E+0 00E+0 00E+0 00E+0 00E+0 + +Np+4 + 4 CO3-2 = Np(CO3)4-4 + log_k 36.68 #01LEM/FUG + -analytic 36.68E+0 00E+0 00E+0 00E+0 00E+0 + +Np+4 + 5 CO3-2 = Np(CO3)5-6 + log_k 35.61 #01LEM/FUG + delta_h -1.595 #kJ/mol +# Enthalpy of formation: -3933.768 kJ/mol + -analytic 35.33057E+0 00E+0 83.31265E+0 00E+0 00E+0 + +Np+4 + Edta-4 = Np(Edta) + log_k 31.2 #05HUM/AND + -analytic 31.2E+0 00E+0 00E+0 00E+0 00E+0 + +Np+3 + Edta-4 = Np(Edta)- + log_k 19.9 #Recommended in 05HUM/AND + -analytic 19.9E+0 00E+0 00E+0 00E+0 00E+0 + +Np+3 + H2(PO4)- = Np(H2PO4)+2 + log_k 2.39 #Estimated by correlation with An(III) in function of ionic radii. + -analytic 23.9E-1 00E+0 00E+0 00E+0 00E+0 + +Np+3 + H+ + Edta-4 = Np(HEdta) + log_k 22.02 #Analogy with Pu(HEdta) + -analytic 22.02E+0 00E+0 00E+0 00E+0 00E+0 + +Np+3 - H+ + H2(PO4)- = Np(HPO4)+ + log_k -1.88 #Estimated by correlation with An(III) in function of ionic radii + -analytic -18.8E-1 00E+0 00E+0 00E+0 00E+0 + +Np+3 - 2 H+ + 2 H2(PO4)- = Np(HPO4)2- + log_k -5.61 #Estimated by correlation with An(III) in function of ionic radii + -analytic -56.1E-1 00E+0 00E+0 00E+0 00E+0 + +Np+4 + NO3- = Np(NO3)+3 + log_k 1.9 #01LEM/FUG + -analytic 19E-1 00E+0 00E+0 00E+0 00E+0 + +Np+3 + Nta-3 = Np(Nta) + log_k 13 #95AKR/BOU + -analytic 13E+0 00E+0 00E+0 00E+0 00E+0 + +Np+4 + Nta-3 = Np(Nta)+ + log_k 20.7 #95AKR/BOU + -analytic 20.7E+0 00E+0 00E+0 00E+0 00E+0 + +Np+3 - H+ + H2O = Np(OH)+2 + log_k -6.8 #01LEM/FUG + delta_h 36.997 #kJ/mol +# Enthalpy of formation: -776.017 kJ/mol + -analytic -31.84038E-2 00E+0 -19.32488E+2 00E+0 00E+0 + +Np+4 - H+ + H2O = Np(OH)+3 + log_k 0.55 #03GUI/FAN + delta_h 26.743 #kJ/mol +# Enthalpy of formation: -815.109 kJ/mol + -analytic 52.35172E-1 00E+0 -13.96884E+2 00E+0 00E+0 + +Np+4 - 2 H+ + 2 CO3-2 + 2 H2O = Np(OH)2(CO3)2-2 + log_k 16.92 #99RAI/HES2 + -analytic 16.92E+0 00E+0 00E+0 00E+0 00E+0 + +Np+3 - 2 H+ + 2 H2O = Np(OH)2+ + log_k -17 #80ALL/KIP + delta_h 103.262 #kJ/mol +# Enthalpy of formation: -995.582 kJ/mol + -analytic 10.90726E-1 00E+0 -53.9375E+2 00E+0 00E+0 + +Np+4 - 2 H+ + 2 H2O = Np(OH)2+2 + log_k 0.35 #03GUI/FAN + delta_h 44.742 #kJ/mol +# Enthalpy of formation: -1082.939 kJ/mol + -analytic 81.88462E-1 00E+0 -23.37037E+2 00E+0 00E+0 + +Np+4 - 2 H+ + Edta-4 + 2 H2O = Np(OH)2Edta-2 + log_k 18.24 #23ROD/COL + -analytic 18.24E+0 00E+0 00E+0 00E+0 00E+0 + +Np+3 - 3 H+ + 3 H2O = Np(OH)3 + log_k -27 #80ALL/KIP + delta_h 159.163 #kJ/mol +# Enthalpy of formation: -1225.510 kJ/mol + -analytic 88.41606E-2 00E+0 -83.13662E+2 00E+0 00E+0 + +Np+4 - 3 H+ + 3 H2O = Np(OH)3+ + log_k -2.8 #01NEC/KIM, 99NEC + delta_h 70.765 #kJ/mol +# Enthalpy of formation: -1342.745 kJ/mol + -analytic 95.97496E-1 00E+0 -36.96313E+2 00E+0 00E+0 + +Np+4 - 3 H+ + Edta-4 + 3 H2O = Np(OH)3Edta-3 + log_k 8.62 #23ROD/COL + -analytic 86.2E-1 00E+0 00E+0 00E+0 00E+0 + +Np+4 - 4 H+ + 4 H2O = Np(OH)4 + log_k -8.3 #20GRE/GAO + delta_h 100.98 #kJ/mol +# Enthalpy of formation: -1598.360 kJ/mol + -analytic 93.90937E-1 00E+0 -52.74553E+2 00E+0 00E+0 + +Np+4 - 4 H+ + HGlu- + 4 H2O = Np(OH)4(HGlu)- + log_k -5.89 #Analogy with An(IV)-ISA + -analytic -58.9E-1 00E+0 00E+0 00E+0 00E+0 + +Np+4 - 4 H+ + 2 HGlu- + 4 H2O = Np(OH)4(HGlu)2-2 + log_k -3.69 #Analogy with An(IV)-ISA + -analytic -36.9E-1 00E+0 00E+0 00E+0 00E+0 + +Np+4 - 4 H+ + HIsa- + 4 H2O = Np(OH)4(HIsa)- + log_k -5.89 #23ROD/COL + -analytic -58.9E-1 00E+0 00E+0 00E+0 00E+0 + +Np+4 - 4 H+ + 2 HIsa- + 4 H2O = Np(OH)4(HIsa)2-2 + log_k -3.69 #23ROD/COL + -analytic -36.9E-1 00E+0 00E+0 00E+0 00E+0 + +Np+4 - H+ + Edta-4 + H2O = Np(OH)Edta- + log_k 23.73 #23ROD/COL + -analytic 23.73E+0 00E+0 00E+0 00E+0 00E+0 + +Np+4 + Ox-2 = Np(Ox)+2 + log_k 11.16 #12GRI/GAR2 + -analytic 11.16E+0 00E+0 00E+0 00E+0 00E+0 + +Np+4 + 2 Ox-2 = Np(Ox)2 + log_k 19.94 #12GRI/GAR2 + -analytic 19.94E+0 00E+0 00E+0 00E+0 00E+0 + +Np+4 + 3 Ox-2 = Np(Ox)3-2 + log_k 25.19 #12GRI/GAR2 + -analytic 25.19E+0 00E+0 00E+0 00E+0 00E+0 + +Np+3 - 2 H+ + H2(PO4)- = Np(PO4) + log_k -8.07 #Estimated by correlation with An(III) in function of ionic radii + -analytic -80.7E-1 00E+0 00E+0 00E+0 00E+0 + +Np+3 - 4 H+ + 2 H2(PO4)- = Np(PO4)2-3 + log_k -20.03 #Estimated by correlation with An(III) in function of ionic radii + -analytic -20.03E+0 00E+0 00E+0 00E+0 00E+0 + +Np+3 + SO4-2 = Np(SO4)+ + log_k 3.72 #Estimated by correlation with An(III) in function of ionic radii + delta_h 21.188 #kJ/mol +# Enthalpy of formation: -1415.336 kJ/mol + -analytic 74.31978E-1 00E+0 -11.06726E+2 00E+0 00E+0 + +Np+4 + SO4-2 = Np(SO4)+2 + log_k 6.85 #01LEM/FUG + delta_h 29.84 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -1435.522 kJ/mol + -analytic 12.07774E+0 00E+0 -15.58652E+2 00E+0 00E+0 + +Np+4 + 2 SO4-2 = Np(SO4)2 + log_k 11.05 #01LEM/FUG + delta_h 55.38 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -2319.322 kJ/mol + -analytic 20.75216E+0 00E+0 -28.92699E+2 00E+0 00E+0 + +Np+3 + 2 SO4-2 = Np(SO4)2- + log_k 5.16 #Estimated by correlation with An(III) in function of ionic radii + -analytic 51.6E-1 00E+0 00E+0 00E+0 00E+0 + +Np+4 + Br- = NpBr+3 + log_k 1.55 #Estimated by correlation with An(IV) in function of ionic radii + -analytic 15.5E-1 00E+0 00E+0 00E+0 00E+0 + +Np+4 + Cl- = NpCl+3 + log_k 1.5 #01LEM/FUG + delta_h 24.173 #kJ/mol +# Enthalpy of formation: -698.928 kJ/mol + -analytic 57.34928E-1 00E+0 -12.62644E+2 00E+0 00E+0 + +Np+4 + F- = NpF+3 + log_k 8.96 #01LEM/FUG + delta_h 1.5 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -889.872 kJ/mol + -analytic 92.22789E-1 00E+0 -78.35046E+0 00E+0 00E+0 + +Np+4 + 2 F- = NpF2+2 + log_k 15.7 #01LEM/FUG + delta_h 15.928 #kJ/mol +# Enthalpy of formation: -1210.793 kJ/mol + -analytic 18.49047E+0 00E+0 -83.19774E+1 00E+0 00E+0 + +Np+4 + 3 F- = NpF3+ + log_k 20.05 #01LEM/FUG + -analytic 20.05E+0 00E+0 00E+0 00E+0 00E+0 + +Np+4 + 4 F- = NpF4 + log_k 25.95 #01LEM/FUG + -analytic 25.95E+0 00E+0 00E+0 00E+0 00E+0 + +Np+4 + I- = NpI+3 + log_k 1.5 #01LEM/FUG + -analytic 15E-1 00E+0 00E+0 00E+0 00E+0 + +NpO2+ + Acetate- = NpO2(Acetate) + log_k 1.32 #11RIC/GRI + -analytic 13.2E-1 00E+0 00E+0 00E+0 00E+0 + +NpO2+ + 2 Acetate- = NpO2(Acetate)2- + log_k 3.42 #09TAK/TAK + -analytic 34.2E-1 00E+0 00E+0 00E+0 00E+0 + +NpO2+ + 3 Acetate- = NpO2(Acetate)3-2 + log_k 3.57 #09TAK/TAK + -analytic 35.7E-1 00E+0 00E+0 00E+0 00E+0 + +NpO2+ + Cit-3 = NpO2(Cit)-2 + log_k 3.68 #05HUM/AND + -analytic 36.8E-1 00E+0 00E+0 00E+0 00E+0 + +NpO2+ + CO3-2 = NpO2(CO3)- + log_k 4.96 #01LEM/FUG + delta_h 59.912 #kJ/mol +# Enthalpy of formation: -1593.499 kJ/mol + -analytic 15.45613E+0 00E+0 -31.29422E+2 00E+0 00E+0 + +NpO2+2 - 2 H+ + CO3-2 + 2 H2O = NpO2(CO3)(OH)2-2 + log_k -7.69 #99CHO/BRO + -analytic -76.9E-1 00E+0 00E+0 00E+0 00E+0 + +NpO2+2 + 2 CO3-2 = NpO2(CO3)2-2 + log_k 15 #Upper limit value in 20GRE/GAO + -analytic 15E+0 00E+0 00E+0 00E+0 00E+0 + +NpO2+ + 2 CO3-2 = NpO2(CO3)2-3 + log_k 6.53 #01LEM/FUG + delta_h 39.024 #kJ/mol +# Enthalpy of formation: -2289.617 kJ/mol + -analytic 13.36671E+0 00E+0 -20.38365E+2 00E+0 00E+0 + +NpO2+ - H+ + 2 CO3-2 + H2O = NpO2(CO3)2OH-4 + log_k -5.31 #01LEM/FUG + -analytic -53.1E-1 00E+0 00E+0 00E+0 00E+0 + +NpO2+2 + 3 CO3-2 = NpO2(CO3)3-4 + log_k 19.9 #20GRE/GAO + delta_h -41.9 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -2928.323 kJ/mol + -analytic 12.55944E+0 00E+0 21.88589E+2 00E+0 00E+0 + +NpO2+ + 3 CO3-2 = NpO2(CO3)3-5 + log_k 5.5 + delta_h -13.249 #kJ/mol +# Enthalpy of formation: -3017.120 kJ/mol 01LEM/FUG + -analytic 31.78875E-1 00E+0 69.20435E+1 00E+0 00E+0 + +NpO2+ + Edta-4 = NpO2(Edta)-3 + log_k 9.23 #05HUM/AND + -analytic 92.3E-1 00E+0 00E+0 00E+0 00E+0 + +NpO2+ + 2 H+ + Edta-4 = NpO2(H2Edta)- + log_k 22.51 #05HUM/AND + -analytic 22.51E+0 00E+0 00E+0 00E+0 00E+0 + +NpO2+ + H2(PO4)- = NpO2(H2PO4) + log_k 1.4 #20GRE/GAO + -analytic 14E-1 00E+0 00E+0 00E+0 00E+0 + +NpO2+ + H+ + Edta-4 = NpO2(HEdta)-2 + log_k 17.06 #05HUM/AND + -analytic 17.06E+0 00E+0 00E+0 00E+0 00E+0 + +NpO2+ + HGlu- = NpO2(HGlu) + log_k 1.68 #06ZHA/CLA + -analytic 16.8E-1 00E+0 00E+0 00E+0 00E+0 + +NpO2+ + 2 HGlu- = NpO2(HGlu)2- + log_k 2.39 #06ZHA/CLA + -analytic 23.9E-1 00E+0 00E+0 00E+0 00E+0 + +NpO2+ + H+ + Nta-3 = NpO2(HNta)- + log_k 11.7 #95AKR/BOU + -analytic 11.7E+0 00E+0 00E+0 00E+0 00E+0 + +NpO2+2 - H+ + H2(PO4)- = NpO2(HPO4) + log_k -1.01 #01LEM/FUG + delta_h 92.195 #kJ/mol +# Enthalpy of formation: -2071.137 kJ/mol + -analytic 15.14187E+0 00E+0 -48.1568E+2 00E+0 00E+0 + +NpO2+ - H+ + H2(PO4)- = NpO2(HPO4)- + log_k -4.26 #20GRE/GAO + delta_h -7.4 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -2288.181 kJ/mol + -analytic -55.56424E-1 00E+0 38.65289E+1 00E+0 00E+0 + +NpO2+2 - 2 H+ + 2 H2(PO4)- = NpO2(HPO4)2-2 + log_k -4.92 #01LEM/FUG + -analytic -49.2E-1 00E+0 00E+0 00E+0 00E+0 + +NpO2+2 + NO3- = NpO2(NO3)+ + log_k 0.1 #12GRI/GAR2 in analogy to UO2(NO3)+ + -analytic 10E-2 00E+0 00E+0 00E+0 00E+0 + +NpO2+ + Nta-3 = NpO2(Nta)-2 + log_k 7.46 #95AKR/BOU + -analytic 74.6E-1 00E+0 00E+0 00E+0 00E+0 + +NpO2+ - H+ + H2O = NpO2(OH) + log_k -11.3 #01LEM/FUG + delta_h 64.785 #kJ/mol +# Enthalpy of formation: -1199.226 kJ/mol + -analytic 49.8448E-3 00E+0 -33.83956E+2 00E+0 00E+0 + +NpO2+2 - H+ + H2O = NpO2(OH)+ + log_k -5.1 #01LEM/FUG + delta_h 42.956 #kJ/mol +# Enthalpy of formation: -1103.606 kJ/mol + -analytic 24.25568E-1 00E+0 -22.43748E+2 00E+0 00E+0 + +NpO2+2 - 2 H+ + 2 H2O = NpO2(OH)2 + log_k -12.21 #Estimated by correlation with An(VI) in function of ionic radii + -analytic -12.21E+0 00E+0 00E+0 00E+0 00E+0 + +NpO2+ - 2 H+ + 2 H2O = NpO2(OH)2- + log_k -23.6 #01LEM/FUG + delta_h 118.61 #kJ/mol +# Enthalpy of formation: -1431.230 kJ/mol + -analytic -28.2042E-1 00E+0 -61.95432E+2 00E+0 00E+0 + +NpO2+2 - 3 H+ + 3 H2O = NpO2(OH)3- + log_k -21.2 #20GRE/GAO + -analytic -21.2E+0 00E+0 00E+0 00E+0 00E+0 + +NpO2+2 - 4 H+ + 4 H2O = NpO2(OH)4-2 + log_k -32 #20GRE/GAO + -analytic -32E+0 00E+0 00E+0 00E+0 00E+0 + +NpO2+ + Ox-2 = NpO2(Ox)- + log_k 3.9 #05HUM/AND + delta_h -1.3 #kJ/mol 20MAI/TRU +# Enthalpy of formation: -1810.141 kJ/mol + -analytic 36.7225E-1 00E+0 67.90373E+0 00E+0 00E+0 + +NpO2+ + 2 Ox-2 = NpO2(Ox)2-3 + log_k 5.8 #05HUM/AND + delta_h -8.7 #kJ/mol 20MAI/TRU +# Enthalpy of formation: -2648.201 kJ/mol + -analytic 42.75825E-1 00E+0 45.44326E+1 00E+0 00E+0 + +NpO2+2 + SO4-2 = NpO2(SO4) + log_k 3.28 #01LEM/FUG + delta_h 16.7 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -1753.373 kJ/mol + -analytic 62.05714E-1 00E+0 -87.23018E+1 00E+0 00E+0 + +NpO2+ + SO4-2 = NpO2(SO4)- + log_k 1.3 #20GRE/GAO + delta_h 22 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -1865.521 kJ/mol + -analytic 51.54235E-1 00E+0 -11.4914E+2 00E+0 00E+0 + +NpO2+2 + 2 SO4-2 = NpO2(SO4)2-2 + log_k 4.7 #01LEM/FUG + delta_h 26 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -2653.413 kJ/mol + -analytic 92.55004E-1 00E+0 -13.58075E+2 00E+0 00E+0 + +NpO2+ + Cl- = NpO2Cl + log_k -0.93 #94NEC/KIM + delta_h 25.971 #kJ/mol +# Enthalpy of formation: -1119.289 kJ/mol + -analytic 36.19924E-1 00E+0 -13.5656E+2 00E+0 00E+0 + +NpO2+2 + Cl- = NpO2Cl+ + log_k 0.4 #01LEM/FUG + delta_h 8.387 #kJ/mol +# Enthalpy of formation: -1019.426 kJ/mol + -analytic 18.69339E-1 00E+0 -43.80835E+1 00E+0 00E+0 + +NpO2+2 + CO3-2 = NpO2CO3 + log_k 9.86 #20GRE/GAO + -analytic 98.6E-1 00E+0 00E+0 00E+0 00E+0 + +NpO2+ + F- = NpO2F + log_k 1.4 #20GRE/GAO + -analytic 14E-1 00E+0 00E+0 00E+0 00E+0 + +NpO2+2 + F- = NpO2F+ + log_k 4.57 #01LEM/FUG + delta_h 1.4 #kJ/mol +# Enthalpy of formation: -1194.682 kJ/mol + -analytic 48.15269E-1 00E+0 -73.12709E+0 00E+0 00E+0 + +NpO2+2 + 2 F- = NpO2F2 + log_k 7.6 #01LEM/FUG + delta_h 4.32 #kJ/mol +# Enthalpy of formation: -1527.113 kJ/mol + -analytic 83.56832E-1 00E+0 -22.56493E+1 00E+0 00E+0 + +NpO2+ + 2 F- = NpO2F2- + log_k 1.9 #20GRE/GAO + -analytic 19E-1 00E+0 00E+0 00E+0 00E+0 + +NpO2+2 + H2(PO4)- = NpO2H2PO4+ + log_k 3.32 #01LEM/FUG + -analytic 33.2E-1 00E+0 00E+0 00E+0 00E+0 + +- H+ + H2O = OH- + log_k -14 + delta_h 55.815 #kJ/mol +# Enthalpy of formation: -230.015 kJ/mol 89COX/WAG + -analytic -42.21632E-1 00E+0 -29.1542E+2 00E+0 00E+0 + +- H+ + Pa+4 + H2O = Pa(OH)+3 + log_k 0.84 #76BAE/MES + -analytic 84E-2 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + Pa+4 + 2 H2O = Pa(OH)2+2 + log_k -0.02 #76BAE/MES + -analytic -20E-3 00E+0 00E+0 00E+0 00E+0 + +- 3 H+ + Pa+4 + 3 H2O = Pa(OH)3+ + log_k -1.5 #76BAE/MES + -analytic -15E-1 00E+0 00E+0 00E+0 00E+0 + +H+ + PaO2+ = PaO(OH)+2 + log_k 1.25 #Original data 03TRU/LEN and 04FOU/PER + delta_h -5.7 #kJ/mol 03TRU/LEN + -analytic 25.14029E-2 00E+0 29.77317E+1 00E+0 00E+0 + +2 H+ + SO4-2 + PaO2+ - H2O = PaO(SO4)+ + log_k 5.13 #07GIA/TRU + -analytic 51.3E-1 00E+0 00E+0 00E+0 00E+0 + +2 H+ + 2 SO4-2 + PaO2+ - H2O = PaO(SO4)2- + log_k 8.24 #07GIA/TRU + -analytic 82.4E-1 00E+0 00E+0 00E+0 00E+0 + +2 H+ + 3 SO4-2 + PaO2+ - H2O = PaO(SO4)3-3 + log_k 9.83 #07GIA/TRU + -analytic 98.3E-1 00E+0 00E+0 00E+0 00E+0 + +- H+ + PaO2+ + H2O = PaO2(OH) + log_k -7 #Original data 03TRU/LEN and 04FOU/PER + delta_h 61 #kJ/mol 03TRU/LEN + -analytic 36.86741E-1 00E+0 -31.86252E+2 00E+0 00E+0 + +- 2 H+ + PaO2+ + 2 H2O = PaO2(OH)2- + log_k -16.4 #04FOU/PER + -analytic -16.4E+0 00E+0 00E+0 00E+0 00E+0 + +Pb+2 + B(OH)4- = Pb(B(OH)4)+ + log_k 5.2 #80BAS + -analytic 52E-1 00E+0 00E+0 00E+0 00E+0 + +Pb+2 + 3 B(OH)4- = Pb(B(OH)4)3- + log_k 11.18 #80BAS + -analytic 11.18E+0 00E+0 00E+0 00E+0 00E+0 + +Pb+2 + CO3-2 = Pb(CO3) + log_k 7 #06BLA/PIA + delta_h -3.015 #kJ/mol +# Enthalpy of formation: -677.326 kJ/mol + -analytic 64.71795E-1 00E+0 15.74844E+1 00E+0 00E+0 + +Pb+2 + 2 CO3-2 = Pb(CO3)2-2 + log_k 10.13 #99LOT/OCH; Uncertainty to include available data. + -analytic 10.13E+0 00E+0 00E+0 00E+0 00E+0 + +Pb+2 + Edta-4 = Pb(Edta)-2 + log_k 18.8 #04MAR/SMI + -analytic 18.8E+0 00E+0 00E+0 00E+0 00E+0 + +Pb+2 + 2 H+ + Edta-4 = Pb(H2Edta) + log_k 24.9 #04MAR/SMI + -analytic 24.9E+0 00E+0 00E+0 00E+0 00E+0 + +Pb+2 + H2(PO4)- = Pb(H2PO4)+ + log_k 1.5 #74NRI + -analytic 15E-1 00E+0 00E+0 00E+0 00E+0 + +Pb+2 + H+ + Edta-4 = Pb(HEdta)- + log_k 23 #04MAR/SMI + -analytic 23E+0 00E+0 00E+0 00E+0 00E+0 + +Pb+2 + 2 HS- = Pb(HS)2 + log_k 15.01 #06BLA/PIA; Uncertainty to include available data. + delta_h -65.579 #kJ/mol +# Enthalpy of formation: -97.259 kJ/mol + -analytic 35.21052E-1 00E+0 34.2543E+2 00E+0 00E+0 + +Pb+2 + 3 HS- = Pb(HS)3- + log_k 16.26 #06BLA/PIA; Uncertainty to include available data. + delta_h -73.329 #kJ/mol +# Enthalpy of formation: -121.309 kJ/mol + -analytic 34.13311E-1 00E+0 38.3024E+2 00E+0 00E+0 + +Pb+2 + NO3- = Pb(NO3)+ + log_k 1.06 #99LOT/OCH + -analytic 10.6E-1 00E+0 00E+0 00E+0 00E+0 + +Pb+2 + 2 NO3- = Pb(NO3)2 + log_k 1.48 #99LOT/OCH + delta_h -11.012 #kJ/mol +# Enthalpy of formation: -423.792 kJ/mol + -analytic -44.92196E-2 00E+0 57.51968E+1 00E+0 00E+0 + +Pb+2 - H+ + H2O = Pb(OH)+ + log_k -7.51 #99LOT/OCH; Uncertainty to include available data. + delta_h 53.92 #kJ/mol +# Enthalpy of formation: -230.990 kJ/mol + -analytic 19.36379E-1 00E+0 -28.16438E+2 00E+0 00E+0 + +Pb+2 - 2 H+ + 2 H2O = Pb(OH)2 + log_k -16.95 #99LOT/OCH; Uncertainty to include available data. + delta_h 97.824 #kJ/mol +# Enthalpy of formation: -472.915 kJ/mol + -analytic 18.80291E-2 00E+0 -51.09703E+2 00E+0 00E+0 + +Pb+2 - 3 H+ + 3 H2O = Pb(OH)3- + log_k -27.2 #01PER/HEF + delta_h 130.485 #kJ/mol +# Enthalpy of formation: -726.085 kJ/mol + -analytic -43.40009E-1 00E+0 -68.15706E+2 00E+0 00E+0 + +Pb+2 - 4 H+ + 4 H2O = Pb(OH)4-2 + log_k -38.9 #01PER/HEF + delta_h 197.474 #kJ/mol +# Enthalpy of formation: -944.925 kJ/mol + -analytic -43.0404E-1 00E+0 -10.31479E+3 00E+0 00E+0 + +Pb+2 + Ox-2 = Pb(Ox) + log_k 5.85 #13XIO/KIR + -analytic 58.5E-1 00E+0 00E+0 00E+0 00E+0 + +Pb+2 + 2 Ox-2 = Pb(Ox)2-2 + log_k 8.05 #13XIO/KIR + -analytic 80.5E-1 00E+0 00E+0 00E+0 00E+0 + +Pb+2 + SeO3-2 = Pb(SeO3) + log_k 5.73 #01SEB/POT2 + -analytic 57.3E-1 00E+0 00E+0 00E+0 00E+0 + +Pb+2 + SO4-2 = Pb(SO4) + log_k 2.82 #99LOT/OCH; Uncertainty to include available data. + delta_h 6.861 #kJ/mol +# Enthalpy of formation: -901.559 kJ/mol + -analytic 40.21996E-1 00E+0 -35.8375E+1 00E+0 00E+0 + +Pb+2 + 2 SO4-2 = Pb(SO4)2-2 + log_k 3.47 #97MAR/SMI; Uncertainty to include available data. + -analytic 34.7E-1 00E+0 00E+0 00E+0 00E+0 + +2 Pb+2 - H+ + H2O = Pb2(OH)+3 + log_k -7.18 #99LOT/OCH; Uncertainty to include available data. + -analytic -71.8E-1 00E+0 00E+0 00E+0 00E+0 + +4 Pb+2 - 4 H+ + 4 H2O = Pb4(OH)4+4 + log_k -20.63 #99LOT/OCH; Uncertainty to include available data. + delta_h 82.038 #kJ/mol +# Enthalpy of formation: -1057.601 kJ/mol + -analytic -62.57559E-1 00E+0 -42.85143E+2 00E+0 00E+0 + +6 Pb+2 - 8 H+ + 8 H2O = Pb6(OH)8+4 + log_k -42.68 #99LOT/OCH + delta_h 192.157 #kJ/mol +# Enthalpy of formation: -2088.961 kJ/mol + -analytic -90.15539E-1 00E+0 -10.03706E+3 00E+0 00E+0 + +Pb+2 + Br- = PbBr+ + log_k 1.7 #82HÖG + delta_h 4.22 #kJ/mol +# Enthalpy of formation: -116.270 kJ/mol + -analytic 24.39312E-1 00E+0 -22.0426E+1 00E+0 00E+0 + +Pb+2 + 2 Br- = PbBr2 + log_k 1.9 #82HÖG + delta_h 10.979 #kJ/mol +# Enthalpy of formation: -230.920 kJ/mol + -analytic 38.23438E-1 00E+0 -57.34731E+1 00E+0 00E+0 + +Pb+2 + 3 Br- = PbBr3- + log_k 2.9 #82HÖG + delta_h 10.653 #kJ/mol +# Enthalpy of formation: -352.656 kJ/mol + -analytic 47.66325E-1 00E+0 -55.64449E+1 00E+0 00E+0 + +Pb+2 + Cl- = PbCl+ + log_k 1.44 #97SVE/SHO; Uncertainty to include available data. + delta_h 4.318 #kJ/mol +# Enthalpy of formation: -161.841 kJ/mol + -analytic 21.96481E-1 00E+0 -22.55448E+1 00E+0 00E+0 + +Pb+2 + 2 Cl- = PbCl2 + log_k 2 #97SVE/SHO; Uncertainty to include available data. + delta_h 7.948 #kJ/mol +# Enthalpy of formation: -325.291 kJ/mol + -analytic 33.9243E-1 00E+0 -41.5153E+1 00E+0 00E+0 + +Pb+2 + 3 Cl- = PbCl3- + log_k 1.69 #97SVE/SHO; 22 Uncertainty to include available data. + delta_h 7.812 #kJ/mol +# Enthalpy of formation: -492.507 kJ/mol + -analytic 30.58604E-1 00E+0 -40.80492E+1 00E+0 00E+0 + +Pb+2 + 4 Cl- = PbCl4-2 + log_k 1.4 #97SVE/SHO; 22 Uncertainty to include available data. + delta_h 1.324 #kJ/mol +# Enthalpy of formation: -666.074 kJ/mol + -analytic 16.31955E-1 00E+0 -69.15734E+0 00E+0 00E+0 + +Pb+2 + F- = PbF+ + log_k 2.27 #99LOT/OCH + delta_h -4.054 #kJ/mol +# Enthalpy of formation: -338.484 kJ/mol + -analytic 15.5977E-1 00E+0 21.17552E+1 00E+0 00E+0 + +Pb+2 + 2 F- = PbF2 + log_k 3.01 #99LOT/OCH + delta_h -8.879 #kJ/mol +# Enthalpy of formation: -678.659 kJ/mol + -analytic 14.54466E-1 00E+0 46.37825E+1 00E+0 00E+0 + +Pb+2 - H+ + H2(PO4)- = PbHPO4 + log_k -4.11 #74NRI + -analytic -41.1E-1 00E+0 00E+0 00E+0 00E+0 + +Pb+2 + I- = PbI+ + log_k 1.98 #82HÖG + delta_h 3.874 #kJ/mol +# Enthalpy of formation: -51.986 kJ/mol + -analytic 26.58696E-1 00E+0 -20.23531E+1 00E+0 00E+0 + +Pb+2 + 2 I- = PbI2 + log_k 3.15 #82HÖG + delta_h 7.106 #kJ/mol +# Enthalpy of formation: -105.533 kJ/mol + -analytic 43.94918E-1 00E+0 -37.11722E+1 00E+0 00E+0 + +Pb+2 + 3 I- = PbI3- + log_k 3.81 #82HÖG + delta_h 3.163 #kJ/mol +# Enthalpy of formation: -166.256 kJ/mol + -analytic 43.64134E-1 00E+0 -16.5215E+1 00E+0 00E+0 + +Pb+2 + 4 I- = PbI4-2 + log_k 3.75 #82HÖG + delta_h -15.561 #kJ/mol +# Enthalpy of formation: -241.760 kJ/mol + -analytic 10.2383E-1 00E+0 81.28076E+1 00E+0 00E+0 + +Pb+2 + Pyrophos-4 = PbPyrophos-2 + log_k 8.33 #82WAG/EVA + -analytic 83.3E-1 00E+0 00E+0 00E+0 00E+0 + +Pd+2 + CO3-2 = Pd(CO3) + log_k 6.83 #87BRO/WAN + delta_h -8.843 #kJ/mol +# Enthalpy of formation: -494.184 kJ/mol + -analytic 52.80773E-1 00E+0 46.19021E+1 00E+0 00E+0 + +Pd+2 + 2 CO3-2 = Pd(CO3)2-2 + log_k 12.53 #87BRO/WAN + -analytic 12.53E+0 00E+0 00E+0 00E+0 00E+0 + +Pd+2 + NH3 = Pd(NH3)+2 + log_k 9.6 #68RAS/JOR + -analytic 96E-1 00E+0 00E+0 00E+0 00E+0 + +Pd+2 + 2 NH3 = Pd(NH3)2+2 + log_k 18.5 #68RAS/JOR + -analytic 18.5E+0 00E+0 00E+0 00E+0 00E+0 + +Pd+2 + 3 NH3 = Pd(NH3)3+2 + log_k 26 #68RAS/JOR + -analytic 26E+0 00E+0 00E+0 00E+0 00E+0 + +Pd+2 + 4 NH3 = Pd(NH3)4+2 + log_k 32.8 #68RAS/JOR + -analytic 32.8E+0 00E+0 00E+0 00E+0 00E+0 + +- H+ + Pd+2 + H2O = Pd(OH)+ + log_k -1.86 #70NAB/KAL + delta_h 11.908 #kJ/mol +# Enthalpy of formation: -84.032 kJ/mol + -analytic 22.6192E-2 00E+0 -62.19982E+1 00E+0 00E+0 + +- 2 H+ + Pd+2 + 2 H2O = Pd(OH)2 + log_k -3.49 #12RAI/YUI + delta_h 13.576 #kJ/mol +# Enthalpy of formation: -368.195 kJ/mol + -analytic -11.11587E-1 00E+0 -70.91239E+1 00E+0 00E+0 + +- 3 H+ + Pd+2 + 3 H2O = Pd(OH)3- + log_k -15.48 #12RAI/YUI + delta_h 52.289 #kJ/mol +# Enthalpy of formation: -615.311 kJ/mol + -analytic -63.1936E-1 00E+0 -27.31245E+2 00E+0 00E+0 + +Pd+2 + SO4-2 = Pd(SO4) + log_k 2.91 #87BRO/WAN + delta_h 4.588 #kJ/mol +# Enthalpy of formation: -714.862 kJ/mol + -analytic 37.13783E-1 00E+0 -23.96479E+1 00E+0 00E+0 + +Pd+2 + 2 SO4-2 = Pd(SO4)2-2 + log_k 4.17 #82HOG + -analytic 41.7E-1 00E+0 00E+0 00E+0 00E+0 + +Pd+2 + Br- = PdBr+ + log_k 5.77 #72ELD + delta_h -30.145 #kJ/mol +# Enthalpy of formation: +38.334 kJ/mol + -analytic 48.88227E-2 00E+0 15.74583E+2 00E+0 00E+0 + +Pd+2 + 2 Br- = PdBr2 + log_k 10.06 #72ELD + delta_h -57.714 #kJ/mol +# Enthalpy of formation: -110.644 kJ/mol + -analytic -51.05877E-3 00E+0 30.14612E+2 00E+0 00E+0 + +Pd+2 + 3 Br- = PdBr3- + log_k 13.75 #72ELD + delta_h -92.39 #kJ/mol +# Enthalpy of formation: -266.730 kJ/mol + -analytic -24.36033E-1 00E+0 48.25866E+2 00E+0 00E+0 + +Pd+2 + 4 Br- = PdBr4-2 + log_k 15.11 #72ELD + delta_h -126.688 #kJ/mol +# Enthalpy of formation: -422.437 kJ/mol + -analytic -70.84785E-1 00E+0 66.17375E+2 00E+0 00E+0 + +Pd+2 + Cl- = PdCl+ + log_k 5 #12RAI/YUI + delta_h -23.954 #kJ/mol +# Enthalpy of formation: -1.145 kJ/mol + -analytic 80.34393E-2 00E+0 12.51205E+2 00E+0 00E+0 + +Pd+2 + 2 Cl- = PdCl2 + log_k 8.42 #12RAI/YUI + delta_h -48.037 #kJ/mol +# Enthalpy of formation: -192.307 kJ/mol + -analytic 42.78852E-4 00E+0 25.09147E+2 00E+0 00E+0 + +Pd+2 + 3 Cl- = PdCl3- + log_k 10.93 #12RAI/YUI + delta_h -77.749 #kJ/mol +# Enthalpy of formation: -389.099 kJ/mol + -analytic -26.9104E-1 00E+0 40.61113E+2 00E+0 00E+0 + +- H+ + Pd+2 + 3 Cl- + H2O = PdCl3(OH)-2 + log_k 2.42 #12RAI/YUI + -analytic 24.2E-1 00E+0 00E+0 00E+0 00E+0 + +Pd+2 + 4 Cl- = PdCl4-2 + log_k 13.05 #12RAI/YUI + delta_h -120.18 #kJ/mol +# Enthalpy of formation: -598.610 kJ/mol + -analytic -80.04632E-1 00E+0 62.77439E+2 00E+0 00E+0 + +Pd+2 + I- = PdI+ + log_k 10.4 #89BAE/McK + delta_h -58.206 #kJ/mol +# Enthalpy of formation: +74.903 kJ/mol + -analytic 20.27465E-2 00E+0 30.40311E+2 00E+0 00E+0 + +Pd+2 + 2 I- = PdI2 + log_k 14.5 #97BOU + delta_h -83.425 #kJ/mol +# Enthalpy of formation: -7.096 kJ/mol + -analytic -11.54326E-2 00E+0 43.57591E+2 00E+0 00E+0 + +Pd+2 + 3 I- = PdI3- + log_k 18.6 #97BOU + delta_h -121.755 #kJ/mol +# Enthalpy of formation: -102.205 kJ/mol + -analytic -27.3056E-1 00E+0 63.59707E+2 00E+0 00E+0 + +Pd+2 + 4 I- = PdI4-2 + log_k 24.64 + delta_h -190.061 #kJ/mol +# Enthalpy of formation: -227.291 kJ/mol + -analytic -86.57258E-1 00E+0 99.27577E+2 00E+0 00E+0 + +- 2 H+ + H2(PO4)- = PO4-3 + log_k -19.56 #89COX/WAG + delta_h 18.2 #kJ/mol +# Enthalpy of formation: -1284.400 kJ/mol 89COX/WAG + -analytic -16.3715E+0 00E+0 -95.06522E+1 00E+0 00E+0 + +Pu+3 + Acetate- = Pu(Acetate)+2 + log_k 2.85 #69MOS + -analytic 28.5E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+4 + Acetate- = Pu(Acetate)+3 + log_k 5.93 #62SCH/NEB + -analytic 59.3E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+3 + 2 Acetate- = Pu(Acetate)2+ + log_k 5.06 #69MOS + -analytic 50.6E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+4 + 2 Acetate- = Pu(Acetate)2+2 + log_k 10.09 #62SCH/NEB + -analytic 10.09E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+3 + 3 Acetate- = Pu(Acetate)3 + log_k 6.57 #69MOS + -analytic 65.7E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+3 + Cit-3 = Pu(Cit) + log_k 8.55 #Analogy with Am + -analytic 85.5E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+3 + 2 Cit-3 = Pu(Cit)2-3 + log_k 13.9 #Analogy with Am + -analytic 13.9E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+3 + CO3-2 = Pu(CO3)+ + log_k 7.64 #Estimated by correlation with An(III) in function of ionic radii + delta_h 14.742 #kJ/mol +# Enthalpy of formation: -1252.279 kJ/mol + -analytic 10.22269E+0 00E+0 -77.00283E+1 00E+0 00E+0 + +Pu+3 + 2 CO3-2 = Pu(CO3)2- + log_k 12.54 #Estimated by correlation with An(III) in function of ionic radii + -analytic 12.54E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+3 + 3 CO3-2 = Pu(CO3)3-3 + log_k 15.2 #Estimated by correlation with An(III) in function of ionic radii + -analytic 15.2E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+4 + 4 CO3-2 = Pu(CO3)4-4 + log_k 37 #03GUI/FAN + -analytic 37E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+4 + 5 CO3-2 = Pu(CO3)5-6 + log_k 35.65 #03GUI/FAN + -analytic 35.65E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+4 + Edta-4 = Pu(Edta) + log_k 31.8 #Recommended in 05HUM/AND + -analytic 31.8E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+3 + Edta-4 = Pu(Edta)- + log_k 20.18 #05HUM/AND + delta_h -8.7 #kJ/mol 05HUM/AND +# Enthalpy of formation: -2305.290 kJ/mol + -analytic 18.65583E+0 00E+0 45.44326E+1 00E+0 00E+0 + +Pu+3 + H2(PO4)- = Pu(H2PO4)+2 + log_k 2.2 #10RAI/MOO + -analytic 22E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+3 + H+ + Cit-3 = Pu(HCit)+ + log_k 12.86 #Analogy with Am + -analytic 12.86E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+3 + 2 H+ + 2 Cit-3 = Pu(HCit)2- + log_k 23.52 #Analogy with Am + -analytic 23.52E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+3 + H+ + Edta-4 = Pu(HEdta) + log_k 22.02 #05HUM/AND + -analytic 22.02E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+3 - H+ + H2(PO4)- = Pu(HPO4)+ + log_k -1.81 #Estimated by correlation with An(III) in function of ionic radii + -analytic -18.1E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+3 - 2 H+ + 2 H2(PO4)- = Pu(HPO4)2- + log_k -5.45 #Estimated by correlation with An(III) in function of ionic radii + -analytic -54.5E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+3 + NO3- = Pu(NO3)+2 + log_k 1.33 #95SIL/BID, LogK selected in analogy to Am (NEA recommendation 95SIL/BID) + -analytic 13.3E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+4 + NO3- = Pu(NO3)+3 + log_k 1.95 #01LEM/FUG + -analytic 19.5E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+3 + Nta-3 = Pu(Nta) + log_k 13.1 #95AKR/BOU + -analytic 13.1E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+4 + Nta-3 = Pu(Nta)+ + log_k 25.72 #16BON/AUP + -analytic 25.72E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+3 - H+ + H2O = Pu(OH)+2 + log_k -6.18 #20GRE/GAO + delta_h 30.753 #kJ/mol +# Enthalpy of formation: -846.866 kJ/mol + -analytic -79.23057E-2 00E+0 -16.06341E+2 00E+0 00E+0 + +Pu+4 - H+ + H2O = Pu(OH)+3 + log_k 0.6 #99NEC, 01NEC/KIM, 03GUI/FAN + delta_h 22.922 #kJ/mol +# Enthalpy of formation: -802.803 kJ/mol + -analytic 46.15762E-1 00E+0 -11.97299E+2 00E+0 00E+0 + +Pu+4 - 2 H+ + 2 CO3-2 + 2 H2O = Pu(OH)2(CO3)2-2 + log_k 18.21 #99RAI/HES1 + -analytic 18.21E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+3 - 2 H+ + HGlu- + 2 H2O = Pu(OH)2(HGlu) + log_k -10.97 #Analogy with Pu(OH)2(HIsa)(aq) + -analytic -10.97E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+3 - 2 H+ + HIsa- + 2 H2O = Pu(OH)2(HIsa) + log_k -10.97 #18TAS/GAO + -analytic -10.97E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+3 - 2 H+ + 2 H2O = Pu(OH)2+ + log_k -15.1 #Analogy with Am(III) + delta_h 89.712 #kJ/mol +# Enthalpy of formation: -1073.737 kJ/mol + -analytic 61.68677E-2 00E+0 -46.85984E+2 00E+0 00E+0 + +Pu+4 - 2 H+ + 2 H2O = Pu(OH)2+2 + log_k 0.6 #99NEC, 01NEC/KIM, 03GUI/FAN + delta_h 39.78 #kJ/mol +# Enthalpy of formation: -1071.775 kJ/mol + -analytic 75.69157E-1 00E+0 -20.77854E+2 00E+0 00E+0 + +Pu+4 - 2 H+ + Edta-4 + 2 H2O = Pu(OH)2Edta-2 + log_k 18.02 #21DIB/TAS + -analytic 18.02E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+3 - 3 H+ + 3 H2O = Pu(OH)3 + log_k -26.2 #20GRE/GAO + delta_h 151.892 #kJ/mol +# Enthalpy of formation: -1297.387 kJ/mol + -analytic 41.03361E-2 00E+0 -79.33872E+2 00E+0 00E+0 + +Pu+4 - 3 H+ + HGlu- + 3 H2O = Pu(OH)3(HGlu) + log_k 4.75 #06GAO/GRI + -analytic 47.5E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+4 - 3 H+ + 3 H2O = Pu(OH)3+ + log_k -2.3 #99NEC, 01NEC/KIM, 03GUI/FAN + delta_h 64.376 #kJ/mol +# Enthalpy of formation: -1333.008 kJ/mol + -analytic 89.78191E-1 00E+0 -33.62593E+2 00E+0 00E+0 + +Pu+4 - 3 H+ + Edta-4 + 3 H2O = Pu(OH)3Edta-3 + log_k 8.5 #21DIB/TAS + -analytic 85E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+4 - 4 H+ + 4 H2O = Pu(OH)4 + log_k -8.5 #03GUI/FAN + delta_h 98.586 #kJ/mol +# Enthalpy of formation: -1584.627 kJ/mol + -analytic 87.71526E-1 00E+0 -51.49505E+2 00E+0 00E+0 + +Pu+4 - 4 H+ + HGlu- + 4 H2O = Pu(OH)4(HGlu)- + log_k -2.7 #06GAO/GRI + -analytic -27E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+4 - 4 H+ + 2 HGlu- + 4 H2O = Pu(OH)4(HGlu)2-2 + log_k -2.83 #Analogy with An(IV)-ISA + -analytic -28.3E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+4 - 4 H+ + HIsa- + 4 H2O = Pu(OH)4(HIsa)- + log_k -5.03 #18TAS/GAO & TAS/GAO1 + -analytic -50.3E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+4 - 4 H+ + 2 HIsa- + 4 H2O = Pu(OH)4(HIsa)2-2 + log_k -2.83 #23ROD/COL + -analytic -28.3E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+4 - 5 H+ + HGlu- + 5 H2O = Pu(OH)5(HGlu)-2 + log_k -16.92 #Analogy with An(IV)-ISA + -analytic -16.92E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+4 - 5 H+ + HIsa- + 5 H2O = Pu(OH)5(HIsa)-2 + log_k -16.92 #18TAS/GAO & 18TAS/GAO1 + -analytic -16.92E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+4 - H+ + Edta-4 + H2O = Pu(OH)Edta- + log_k 23 #21DIB/TAS + -analytic 23E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+3 + Ox-2 = Pu(Ox)+ + log_k 6.49 #12GRI/GAR2 + -analytic 64.9E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+4 + Ox-2 = Pu(Ox)+2 + log_k 11.4 #05HUM/AND + -analytic 11.4E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+4 + 2 Ox-2 = Pu(Ox)2 + log_k 20.6 #05HUM/AND + -analytic 20.6E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+3 + 2 Ox-2 = Pu(Ox)2- + log_k 10.62 #12GRI/GAR2 + -analytic 10.62E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+4 + 3 Ox-2 = Pu(Ox)3-2 + log_k 25.69 #05HUM/AND + -analytic 25.69E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+3 + 3 Ox-2 = Pu(Ox)3-3 + log_k 13.22 #12GRI/GAR2 + -analytic 13.22E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+3 - 2 H+ + H2(PO4)- = Pu(PO4) + log_k -7.91 #Estimated by correlation with An(III) in function of ionic radii + -analytic -79.1E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+3 - 4 H+ + 2 H2(PO4)- = Pu(PO4)2-3 + log_k -19.71 #Estimated by correlation with An(III) in function of ionic radii + -analytic -19.71E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+3 + SO4-2 = Pu(SO4)+ + log_k 3.91 #01LEM/FUG + delta_h 17.24 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -1483.890 kJ/mol + -analytic 69.30318E-1 00E+0 -90.05079E+1 00E+0 00E+0 + +Pu+4 + SO4-2 = Pu(SO4)+2 + log_k 6.89 #01LEM/FUG + delta_h 13.754 #kJ/mol +# Enthalpy of formation: -1435.481 kJ/mol + -analytic 92.99597E-1 00E+0 -71.84215E+1 00E+0 00E+0 + +Pu+4 + 2 SO4-2 = Pu(SO4)2 + log_k 11.14 #01LEM/FUG + delta_h 43.907 #kJ/mol +# Enthalpy of formation: -2314.667 kJ/mol + -analytic 18.83218E+0 00E+0 -22.93422E+2 00E+0 00E+0 + +Pu+3 + 2 SO4-2 = Pu(SO4)2- + log_k 5.7 #01LEM/FUG + delta_h 11.88 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -2398.590 kJ/mol + -analytic 77.81287E-1 00E+0 -62.05356E+1 00E+0 00E+0 + +Pu+4 + Br- = PuBr+3 + log_k 1.6 #01LEM/FUG + -analytic 16E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+4 + Cl- = PuCl+3 + log_k 1.8 #01LEM/FUG + delta_h 19.82 #kJ/mol +# Enthalpy of formation: -687.155 kJ/mol + -analytic 52.72315E-1 00E+0 -10.35271E+2 00E+0 00E+0 + +Pu+4 + F- = PuF+3 + log_k 8.84 #01LEM/FUG + delta_h 9.1 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -866.145 kJ/mol + -analytic 10.43425E+0 00E+0 -47.53261E+1 00E+0 00E+0 + +Pu+4 + 2 F- = PuF2+2 + log_k 15.7 #01LEM/FUG + delta_h 11 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -1199.595 kJ/mol + -analytic 17.62712E+0 00E+0 -57.457E+1 00E+0 00E+0 + +Pu+4 + 3 F- = PuF3+ + log_k 20.11 #01LEM/FUG + -analytic 20.11E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+4 + H+ + H2(PO4)- = PuH3PO4+4 + log_k 4.54 #01LEM/FUG + -analytic 45.4E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+3 + I- = PuI+2 + log_k 1.1 #01LEM/FUG + -analytic 11E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+4 + I- = PuI+3 + log_k 1.62 #ANDRA report (C RP 0ENQ 02-001,Estimated by correlation with An(IV) in function of ionic radii) + -analytic 16.2E-1 00E+0 00E+0 00E+0 00E+0 + +PuO2+2 + Acetate- = PuO2(Acetate)+ + log_k 2.87 #11RIC/GRI + -analytic 28.7E-1 00E+0 00E+0 00E+0 00E+0 + +PuO2+2 + 2 Acetate- = PuO2(Acetate)2 + log_k 4.77 #11RIC/GRI + -analytic 47.7E-1 00E+0 00E+0 00E+0 00E+0 + +PuO2+2 + 3 Acetate- = PuO2(Acetate)3- + log_k 6.19 #11RIC/GRI + -analytic 61.9E-1 00E+0 00E+0 00E+0 00E+0 + +PuO2+2 + CO3-2 = PuO2(CO3) + log_k 9.5 #03GUI/FAN + -analytic 95E-1 00E+0 00E+0 00E+0 00E+0 + +PuO2+ + CO3-2 = PuO2(CO3)- + log_k 5.03 #20GRE/GAO + -analytic 50.3E-1 00E+0 00E+0 00E+0 00E+0 + +PuO2+2 + 2 CO3-2 = PuO2(CO3)2-2 + log_k 14.7 #03GUI/FAN + delta_h -27 #kJ/mol 03GUI/FAN +# Enthalpy of formation: -2199.496 kJ/mol + -analytic 99.69803E-1 00E+0 14.10308E+2 00E+0 00E+0 + +PuO2+ + 2 CO3-2 = PuO2(CO3)2-3 + log_k 6.34 #20GRE/GAO + -analytic 63.4E-1 00E+0 00E+0 00E+0 00E+0 + +PuO2+2 + 3 CO3-2 = PuO2(CO3)3-4 + log_k 18 #03GUI/FAN + delta_h -38.6 #kJ/mol 03GUI/FAN +# Enthalpy of formation: -2886.326 kJ/mol + -analytic 11.23757E+0 00E+0 20.16218E+2 00E+0 00E+0 + +PuO2+ + 3 CO3-2 = PuO2(CO3)3-5 + log_k 5.61 #20GRE/GAO + -analytic 56.1E-1 00E+0 00E+0 00E+0 00E+0 + +2 UO2+2 + PuO2+2 + 6 CO3-2 = PuO2(CO3)6(UO2)2-6 + log_k 53.48 #20GRE/GAO + -analytic 53.48E+0 00E+0 00E+0 00E+0 00E+0 + +PuO2+ - H+ + H2(PO4)- = PuO2(HPO4)- + log_k -4.86 #NEA Guidelines in 01LEM/FUG + -analytic -48.6E-1 00E+0 00E+0 00E+0 00E+0 + +PuO2+ + Nta-3 = PuO2(Nta)-2 + log_k 7.5 #95AKR/BOU + -analytic 75E-1 00E+0 00E+0 00E+0 00E+0 + +PuO2+2 - H+ + H2O = PuO2(OH)+ + log_k -5.5 #01LEM/FUG + delta_h 28 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -1079.866 kJ/mol + -analytic -59.46106E-2 00E+0 -14.62542E+2 00E+0 00E+0 + +PuO2+2 - 2 H+ + 2 H2O = PuO2(OH)2 + log_k -13.2 #01LEM/FUG + -analytic -13.2E+0 00E+0 00E+0 00E+0 00E+0 + +PuO2+2 - 3 H+ + 3 H2O = PuO2(OH)3- + log_k -24 #20GRE/GAO + -analytic -24E+0 00E+0 00E+0 00E+0 00E+0 + +PuO2+2 - H+ + H4(SiO4) = PuO2(OSi(OH)3)+ + log_k -3.64 #03YUS/FED + -analytic -36.4E-1 00E+0 00E+0 00E+0 00E+0 + +PuO2+2 + Ox-2 = PuO2(Ox) + log_k 7 #95AKR/BOU + -analytic 70E-1 00E+0 00E+0 00E+0 00E+0 + +PuO2+2 + 2 Ox-2 = PuO2(Ox)2-2 + log_k 10.5 #73POR/DEP in 95AKR/BOU + -analytic 10.5E+0 00E+0 00E+0 00E+0 00E+0 + +PuO2+2 + Phthalat-2 = PuO2(Phthalat) + log_k 5.76 #11GRI/COL3 + -analytic 57.6E-1 00E+0 00E+0 00E+0 00E+0 + +PuO2+2 + SO4-2 = PuO2(SO4) + log_k 3.38 #01LEM/FUG + delta_h 16.1 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -1715.276 kJ/mol + -analytic 62.00599E-1 00E+0 -84.09616E+1 00E+0 00E+0 + +PuO2+ + SO4-2 = PuO2(SO4)- + log_k 1.26 #20GRE/GAO + -analytic 12.6E-1 00E+0 00E+0 00E+0 00E+0 + +PuO2+2 + 2 SO4-2 = PuO2(SO4)2-2 + log_k 4.4 #01LEM/FUG + delta_h 43 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -2597.716 kJ/mol + -analytic 11.93328E+0 00E+0 -22.46046E+2 00E+0 00E+0 + +PuO2+2 + Cl- = PuO2Cl+ + log_k 0.23 #03GUI/FAN + delta_h 4.187 #kJ/mol +# Enthalpy of formation: -984.929 kJ/mol + -analytic 96.35309E-2 00E+0 -21.87022E+1 00E+0 00E+0 + +PuO2+2 + 2 Cl- = PuO2Cl2 + log_k -1.15 #03GUI/FAN + -analytic -11.5E-1 00E+0 00E+0 00E+0 00E+0 + +PuO2+ + F- = PuO2F + log_k 1.2 #In analogy to NpO2)F + -analytic 12E-1 00E+0 00E+0 00E+0 00E+0 + +PuO2+2 + F- = PuO2F+ + log_k 4.56 #01LEM/FUG + delta_h -3.654 #kJ/mol +# Enthalpy of formation: -1161.039 kJ/mol + -analytic 39.19847E-1 00E+0 19.08617E+1 00E+0 00E+0 + +PuO2+2 + 2 F- = PuO2F2 + log_k 7.25 #01LEM/FUG + delta_h 1.206 #kJ/mol +# Enthalpy of formation: -1491.529 kJ/mol + -analytic 74.61282E-1 00E+0 -62.99377E+0 00E+0 00E+0 + +PuO2+2 + 3 F- = PuO2F3- + log_k 9.59 #85SAW/CHA + delta_h 2.399 #kJ/mol +# Enthalpy of formation: -1825.686 kJ/mol + -analytic 10.01029E+0 00E+0 -12.53085E+1 00E+0 00E+0 + +PuO2+2 + NO3- = PuO2NO3+ + log_k 0.1 #12GRI/GAR1 (LogK selected in analogy to U (NEA recommendation), logK(UO2NO3 +)) + -analytic 10E-2 00E+0 00E+0 00E+0 00E+0 + +PuO2+ - H+ + H2O = PuO2OH + log_k -11.3 #01LEM/FUG + delta_h 71.826 #kJ/mol +# Enthalpy of formation: -1124.131 kJ/mol + -analytic 12.83375E-1 00E+0 -37.51733E+2 00E+0 00E+0 + +Ra+2 + CO3-2 = Ra(CO3) + log_k 2.5 #99SCH + delta_h 4.496 #kJ/mol +# Enthalpy of formation: -1198.760 kJ/mol + -analytic 32.87665E-1 00E+0 -23.48424E+1 00E+0 00E+0 + +H+ + Ra+2 + CO3-2 = Ra(HCO3)+ + log_k 10.92 #02ILE/TWE; Uncertainty to include available data. + -analytic 10.92E+0 00E+0 00E+0 00E+0 00E+0 + +- H+ + Ra+2 + H2O = Ra(OH)+ + log_k -13.49 + delta_h 60.417 #kJ/mol 85LAN/RIE +# Enthalpy of formation: -753.438 kJ/mol + -analytic -29.05396E-1 00E+0 -31.558E+2 00E+0 00E+0 + +- 2 H+ + Ra+2 + 2 H2O = Ra(OH)2 + log_k -28.07 + delta_h 112.197 #kJ/mol +# Enthalpy of formation: -987.488 kJ/mol + -analytic -84.13929E-1 00E+0 -58.60457E+2 00E+0 00E+0 + +Ra+2 + SO4-2 = Ra(SO4) + log_k 2.76 + delta_h 5.472 #kJ/mol +# Enthalpy of formation: -1431.892 kJ/mol + -analytic 37.18653E-1 00E+0 -28.58225E+1 00E+0 00E+0 + +Ra+2 + Cl- = RaCl+ + log_k -0.1 #85LAN/RIE; Uncertainty to include available data. + delta_h 2.479 #kJ/mol +# Enthalpy of formation: -692.626 kJ/mol + -analytic 33.43022E-2 00E+0 -12.94872E+1 00E+0 00E+0 + +Ra+2 + 2 Cl- = RaCl2 + log_k -0.1 + delta_h 0.495 #kJ/mol +# Enthalpy of formation: -861.689 kJ/mol + -analytic -13.27972E-3 00E+0 -25.85565E+0 00E+0 00E+0 + +Ra+2 + F- = RaF+ + log_k 0.48 #87BRO/WAN + -analytic 48E-2 00E+0 00E+0 00E+0 00E+0 + +Br- + Rb+ = RbBr + log_k -1.24 + delta_h 13.836 #kJ/mol +# Enthalpy of formation: -358.694 kJ/mol 97SVE/SHO + -analytic 11.83963E-1 00E+0 -72.27046E+1 00E+0 00E+0 + +Cl- + Rb+ = RbCl + log_k -1.01 + delta_h 13.189 #kJ/mol +# Enthalpy of formation: -405.011 kJ/mol 97SVE/SHO + -analytic 13.00614E-1 00E+0 -68.89094E+1 00E+0 00E+0 + +F- + Rb+ = RbF + log_k 0.94 + delta_h 1.923 #kJ/mol +# Enthalpy of formation: -584.547 kJ/mol 97SVE/SHO + -analytic 12.76895E-1 00E+0 -10.04453E+1 00E+0 00E+0 + +I- + Rb+ = RbI + log_k -0.84 + delta_h 6.987 #kJ/mol +# Enthalpy of formation: -300.913 kJ/mol 97SVE/SHO + -analytic 38.40699E-2 00E+0 -36.49564E+1 00E+0 00E+0 + +- H+ + Rb+ + H2O = RbOH + log_k -14.26 + delta_h 64.158 #kJ/mol +# Enthalpy of formation: -472.792 kJ/mol 97SHO/SAS2 + -analytic -30.20001E-1 00E+0 -33.51206E+2 00E+0 00E+0 + +- H+ + HS- = S-2 + log_k -17.1 #04CHI + delta_h 73.278 #kJ/mol +# Enthalpy of formation: +56.978 kJ/mol + -analytic -42.62245E-1 00E+0 -38.27577E+2 00E+0 00E+0 + +- 2 H+ - 2 e- + 2 HS- = S2-2 +# DLP: This species will be in the S(-2) mole balance + log_k -10.54 + delta_h 67.64 #kJ/mol +# Enthalpy of formation: +35.040 kJ/mol 04CHI + -analytic 13.10019E-1 00E+0 -35.33083E+2 00E+0 00E+0 + +2 H+ + 2 SO3-2 - H2O = S2O5-2 +# DLP: This species will be in the S(4) mole balance + log_k 12.85 #85GOL/PAR + delta_h 2.606 #kJ/mol +# Enthalpy of formation: -973.684 kJ/mol + -analytic 13.30655E+0 00E+0 -13.61209E+1 00E+0 00E+0 + +- 2 e- + 2 SO4-2 = S2O8-2 +# DLP: This species will be in the S(6) mole balance + log_k -65.38 + delta_h 473.98 #kJ/mol +# Enthalpy of formation: -1344.700 kJ/mol 82WAG/EVA + -analytic 17.65773E+0 00E+0 -24.7577E+3 00E+0 00E+0 + +- 3 H+ - 4 e- + 3 HS- = S3-2 +# DLP: This species will be in the S(-2) mole balance + log_k -6.51 + delta_h 74.84 #kJ/mol +# Enthalpy of formation: +25.940 kJ/mol 74NAU/RYZ + -analytic 66.01405E-1 00E+0 -39.09165E+2 00E+0 00E+0 + +6 H+ + 2 e- + 3 SO3-2 - 3 H2O = S3O6-2 +# DLP: This species will be in the S(4) mole balance + log_k 36.82 + delta_h -131.646 #kJ/mol +# Enthalpy of formation: -1167.336 kJ/mol 04CHI + -analytic 13.75661E+0 00E+0 68.76349E+2 00E+0 00E+0 + +- 4 H+ - 6 e- + 4 HS- = S4-2 +# DLP: This species will be in the S(-2) mole balance + log_k -3.58 + delta_h 88.21 #kJ/mol +# Enthalpy of formation: +23.010 kJ/mol 74NAU/RYZ + -analytic 11.87373E+0 00E+0 -46.07529E+2 00E+0 00E+0 + +12 H+ + 6 e- + 4 SO3-2 - 6 H2O = S4O6-2 + log_k 90.8 + delta_h -414.978 #kJ/mol +# Enthalpy of formation: -1224.238 kJ/mol 04CHI + -analytic 18.09898E+0 00E+0 21.67581E+3 00E+0 00E+0 + +- 5 H+ - 8 e- + 5 HS- = S5-2 +# DLP: This species will be in the S(-2) mole balance + log_k -0.87 + delta_h 102.84 #kJ/mol +# Enthalpy of formation: +21.340 kJ/mol 74NAU/RYZ + -analytic 17.14679E+0 00E+0 -53.71707E+2 00E+0 00E+0 + +18 H+ + 10 e- + 5 SO3-2 - 9 H2O = S5O6-2 +# DLP: This species will be in the S(4) mole balance + log_k 115.39 + delta_h -592.874 #kJ/mol +# Enthalpy of formation: -1175.704 kJ/mol 04CHI + -analytic 11.52293E+0 00E+0 30.96797E+3 00E+0 00E+0 + +2 H+ + Sb(OH)3 - 2 H2O = Sb(OH)+2 + log_k 0.74 #99LOT/OCH + -analytic 74E-2 00E+0 00E+0 00E+0 00E+0 + +H+ + Sb(OH)3 - H2O = Sb(OH)2+ + log_k 1.33 #77ANT/NEV and others recalculated + -analytic 13.3E-1 00E+0 00E+0 00E+0 00E+0 + +- H+ + Sb(OH)3 + H2O = Sb(OH)4- + log_k -11.82 #52GAY/GAR recalculated + -analytic -11.82E+0 00E+0 00E+0 00E+0 00E+0 + +H+ + Sb(OH)5 - H2O = Sb(OH)4+ + log_k -3.26 #57PIT/POU in 99LOT/OCH + -analytic -32.6E-1 00E+0 00E+0 00E+0 00E+0 + +- H+ + Sb(OH)5 + H2O = Sb(OH)6- + log_k -2.72 #63LEF/MAR in 76BAE/MES + -analytic -27.2E-1 00E+0 00E+0 00E+0 00E+0 + +3 H+ + Sb(OH)3 - 3 H2O = Sb+3 + log_k -0.73 #99LOT/OCH + -analytic -73E-2 00E+0 00E+0 00E+0 00E+0 + +- 4 H+ + 12 Sb(OH)5 + 4 H2O = Sb12(OH)64-4 + log_k 20.34 #63LEF/MAR in 76BAE/MES + -analytic 20.34E+0 00E+0 00E+0 00E+0 00E+0 + +- 5 H+ + 12 Sb(OH)5 + 5 H2O = Sb12(OH)65-5 + log_k 16.72 #63LEF/MAR in 76BAE/MES + -analytic 16.72E+0 00E+0 00E+0 00E+0 00E+0 + +- 6 H+ + 12 Sb(OH)5 + 6 H2O = Sb12(OH)66-6 + log_k 11.89 #63LEF/MAR in 76BAE/MES + -analytic 11.89E+0 00E+0 00E+0 00E+0 00E+0 + +- 7 H+ + 12 Sb(OH)5 + 7 H2O = Sb12(OH)67-7 + log_k 6.07 #63LEF/MAR in 76BAE/MES + -analytic 60.7E-1 00E+0 00E+0 00E+0 00E+0 + +4 H+ + 4 HS- + 2 Sb(OH)3 - 6 H2O = Sb2H2S4 + log_k 57.81 #88KRU + -analytic 57.81E+0 00E+0 00E+0 00E+0 00E+0 + +3 H+ + 4 HS- + 2 Sb(OH)3 - 6 H2O = Sb2HS4- + log_k 52.9 #88KRU + -analytic 52.9E+0 00E+0 00E+0 00E+0 00E+0 + +2 H+ + 4 HS- + 2 Sb(OH)3 - 6 H2O = Sb2S4-2 + log_k 43.38 #88KRU + -analytic 43.38E+0 00E+0 00E+0 00E+0 00E+0 + +3 H+ + Cl- + Sb(OH)3 - 3 H2O = SbCl+2 + log_k 2.8 #70BON/WAU and others recalculated + -analytic 28E-1 00E+0 00E+0 00E+0 00E+0 + +3 H+ + 2 Cl- + Sb(OH)3 - 3 H2O = SbCl2+ + log_k 3.27 #70BON/WAU and others recalculated + -analytic 32.7E-1 00E+0 00E+0 00E+0 00E+0 + +3 H+ + F- + Sb(OH)3 - 3 H2O = SbF+2 + log_k 6.37 #70BON recalculated + -analytic 63.7E-1 00E+0 00E+0 00E+0 00E+0 + +3 H+ + 2 F- + Sb(OH)3 - 3 H2O = SbF2+ + log_k 12.42 #70BON recalculated + -analytic 12.42E+0 00E+0 00E+0 00E+0 00E+0 + +3 H+ + 3 F- + Sb(OH)3 - 3 H2O = SbF3 + log_k 18.2 #70BON recalculated + -analytic 18.2E+0 00E+0 00E+0 00E+0 00E+0 + +- H+ + HSe- = Se-2 + log_k -14.91 + -analytic -14.91E+0 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ - 2 e- + 2 HSe- = Se2-2 +# DLP: This species will be in the Se(-2) mole balance + log_k -4.5 #05OLI/NOL + -analytic -45E-1 00E+0 00E+0 00E+0 00E+0 + +- 3 H+ - 4 e- + 3 HSe- = Se3-2 +# DLP: This species will be in the Se(-2) mole balance + log_k 5.24 #05OLI/NOL + -analytic 52.4E-1 00E+0 00E+0 00E+0 00E+0 + +- 4 H+ - 6 e- + 4 HSe- = Se4-2 +# DLP: This species will be in the Se(-2) mole balance + log_k 13.38 #05OLI/NOL + -analytic 13.38E+0 00E+0 00E+0 00E+0 00E+0 + +- H+ + 2 H4(SiO4) - H2O = Si2O2(OH)5- + log_k -8.5 #01FEL/CHO + -analytic -85E-1 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + 2 H4(SiO4) - H2O = Si2O3(OH)4-2 + log_k -19.4 #01FEL/CHO + -analytic -19.4E+0 00E+0 00E+0 00E+0 00E+0 + +- 3 H+ + 3 H4(SiO4) - 2 H2O = Si3O5(OH)5-3 + log_k -29.4 #01FEL/CHO + -analytic -29.4E+0 00E+0 00E+0 00E+0 00E+0 + +- 3 H+ + 3 H4(SiO4) - 3 H2O = Si3O6(OH)3-3 + log_k -29.3 #01FEL/CHO + -analytic -29.3E+0 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + 4 H4(SiO4) - 4 H2O = Si4O6(OH)6-2 + log_k -15.6 #01FEL/CHO + -analytic -15.6E+0 00E+0 00E+0 00E+0 00E+0 + +- 4 H+ + 4 H4(SiO4) - 3 H2O = Si4O7(OH)6-4 + log_k -39.1 #01FEL/CHO + -analytic -39.1E+0 00E+0 00E+0 00E+0 00E+0 + +- 4 H+ + 4 H4(SiO4) - 4 H2O = Si4O8(OH)4-4 + log_k -39.2 #01FEL/CHO + -analytic -39.2E+0 00E+0 00E+0 00E+0 00E+0 + +- 6 H+ + 6 H4(SiO4) - 9 H2O = Si6O15-6 + log_k -61.8 #01FEL/CHO + -analytic -61.8E+0 00E+0 00E+0 00E+0 00E+0 + +Sm+3 + CO3-2 = Sm(CO3)+ + log_k 7.8 #95SPA/BRU + delta_h 23.851 #kJ/mol +# Enthalpy of formation: -1342.577 kJ/mol + -analytic 11.97852E+0 00E+0 -12.45824E+2 00E+0 00E+0 + +Sm+3 + 2 CO3-2 = Sm(CO3)2- + log_k 12.8 #95SPA/BRU + -analytic 12.8E+0 00E+0 00E+0 00E+0 00E+0 + +Sm+3 + 3 CO3-2 = Sm(CO3)3-3 + log_k 14.8 #05VER/VIT2 + -analytic 14.8E+0 00E+0 00E+0 00E+0 00E+0 + +Sm+3 + H2(PO4)- = Sm(H2PO4)+2 + log_k 2.35 #95SPA/BRU + -analytic 23.5E-1 00E+0 00E+0 00E+0 00E+0 + +Sm+3 + H+ + CO3-2 = Sm(HCO3)+2 + log_k 12.43 #95SPA/BRU + -analytic 12.43E+0 00E+0 00E+0 00E+0 00E+0 + +Sm+3 - H+ + H2(PO4)- = Sm(HPO4)+ + log_k -1.61 #95SPA/BRU + -analytic -16.1E-1 00E+0 00E+0 00E+0 00E+0 + +Sm+3 - 2 H+ + 2 H2(PO4)- = Sm(HPO4)2- + log_k -5.02 #95SPA/BRU + -analytic -50.2E-1 00E+0 00E+0 00E+0 00E+0 + +Sm+3 + NO3- = Sm(NO3)+2 + log_k 0.9 #95SPA/BRU + -analytic 90E-2 00E+0 00E+0 00E+0 00E+0 + +Sm+3 - H+ + H2O = Sm(OH)+2 + log_k -7.9 #95SPA/BRU + delta_h 48.805 #kJ/mol +# Enthalpy of formation: -928.223 kJ/mol + -analytic 65.0269E-2 00E+0 -25.49263E+2 00E+0 00E+0 + +Sm+3 - 2 H+ + 2 H2O = Sm(OH)2+ + log_k -15.7 #07NEC/ALT2 + delta_h 101.371 #kJ/mol +# Enthalpy of formation: -1161.487 kJ/mol + -analytic 20.59437E-1 00E+0 -52.94976E+2 00E+0 00E+0 + +Sm+3 - 3 H+ + 3 H2O = Sm(OH)3 + log_k -26.2 #07NEC/ALT2 + delta_h 160.126 #kJ/mol +# Enthalpy of formation: -1388.562 kJ/mol + -analytic 18.52871E-1 00E+0 -83.63963E+2 00E+0 00E+0 + +Sm+3 - 4 H+ + 4 H2O = Sm(OH)4- + log_k -40.7 #07NEC/ALT2 + delta_h 232.448 #kJ/mol +# Enthalpy of formation: -1602.069 kJ/mol + -analytic 23.14152E-3 00E+0 -12.1416E+3 00E+0 00E+0 + +Sm+3 - 2 H+ + H2(PO4)- = Sm(PO4) + log_k -7.46 #95SPA/BRU + -analytic -74.6E-1 00E+0 00E+0 00E+0 00E+0 + +Sm+3 - 4 H+ + 2 H2(PO4)- = Sm(PO4)2-3 + log_k -18.72 #95SPA/BRU + -analytic -18.72E+0 00E+0 00E+0 00E+0 00E+0 + +Sm+3 + SO4-2 = Sm(SO4)+ + log_k 3.5 #95SPA/BRU + delta_h 16.584 #kJ/mol +# Enthalpy of formation: -1583.954 kJ/mol + -analytic 64.05392E-1 00E+0 -86.62426E+1 00E+0 00E+0 + +Sm+3 + 2 SO4-2 = Sm(SO4)2- + log_k 5.2 #95SPA/BRU + delta_h 24.918 #kJ/mol +# Enthalpy of formation: -2484.959 kJ/mol + -analytic 95.65446E-1 00E+0 -13.01558E+2 00E+0 00E+0 + +Sm+3 + Br- = SmBr+2 + log_k 0.23 #96FAL/REA + delta_h -1.358 #kJ/mol +# Enthalpy of formation: -813.965 kJ/mol + -analytic -79.11387E-4 00E+0 70.93328E+0 00E+0 00E+0 + +Sm+3 + Cl- = SmCl+2 + log_k 0.72 #Original data 01LUO/BYR and 07LUO/BYR + delta_h 3.583 #kJ/mol +# Enthalpy of formation: -854.695 kJ/mol + -analytic 13.47715E-1 00E+0 -18.71531E+1 00E+0 00E+0 + +Sm+3 + F- = SmF+2 + log_k 4.21 #07LUO/BYR + delta_h 7.97 #kJ/mol 04LUO/MIL +# Enthalpy of formation: -1018.578 kJ/mol + -analytic 56.06284E-1 00E+0 -41.63021E+1 00E+0 00E+0 + +Sm+3 + 2 F- = SmF2+ + log_k 6.43 #Original data 99SCH/BYR and 04LUO/BYR + delta_h 18.85 #kJ/mol 04LUO/MIL +# Enthalpy of formation: -1343.048 kJ/mol + -analytic 97.32378E-1 00E+0 -98.46041E+1 00E+0 00E+0 + +Sm+3 - H+ + H4(SiO4) = SmSiO(OH)3+2 + log_k -2.62 #Original data 07THA/SIN and 96JEN/CHO1 + -analytic -26.2E-1 00E+0 00E+0 00E+0 00E+0 + +Sn+2 + Cit-3 = Sn(Cit)- + log_k 8.7 #95AKR/BOU + -analytic 87E-1 00E+0 00E+0 00E+0 00E+0 + +Sn+2 + 2 Cit-3 = Sn(Cit)2-4 + log_k 11.9 #95AKR/BOU + -analytic 11.9E+0 00E+0 00E+0 00E+0 00E+0 + +Sn+2 + Edta-4 = Sn(Edta)-2 + log_k 24.6 #95AKR/BOU + -analytic 24.6E+0 00E+0 00E+0 00E+0 00E+0 + +Sn+2 + 2 H+ + Edta-4 = Sn(H2Edta) + log_k 24.3 #95AKR/BOU + -analytic 24.3E+0 00E+0 00E+0 00E+0 00E+0 + +Sn+2 + H+ + Edta-4 = Sn(HEdta)- + log_k 23.4 #95AKR/BOU + -analytic 23.4E+0 00E+0 00E+0 00E+0 00E+0 + +Sn+2 + Nta-3 = Sn(Nta)- + log_k 13.4 #95AKR/BOU + -analytic 13.4E+0 00E+0 00E+0 00E+0 00E+0 + +Sn+2 - H+ + H2O = Sn(OH)+ + log_k -3.53 #12GAM/GAJ + delta_h 18.611 #kJ/mol +# Enthalpy of formation: -276.835 kJ/mol + -analytic -26.94928E-2 00E+0 -97.21202E+1 00E+0 00E+0 + +Sn+2 - 2 H+ + 2 H2O = Sn(OH)2 + log_k -7.68 #12GAM/GAJ + delta_h 40.762 #kJ/mol +# Enthalpy of formation: -540.515 kJ/mol + -analytic -53.88041E-2 00E+0 -21.29148E+2 00E+0 00E+0 + +Sn+2 - 3 H+ + 3 H2O = Sn(OH)3- + log_k -16.43 + delta_h 89.189 #kJ/mol +# Enthalpy of formation: -777.917 kJ/mol + -analytic -80.47579E-2 00E+0 -46.58666E+2 00E+0 00E+0 + +Sn+4 - 4 H+ + 4 H2O = Sn(OH)4 + log_k 7.54 + delta_h -49.205 #kJ/mol +# Enthalpy of formation: -1224.035 kJ/mol + -analytic -10.80346E-1 00E+0 25.70156E+2 00E+0 00E+0 + +Sn+4 - 5 H+ + 5 H2O = Sn(OH)5- + log_k -1.06 + -analytic -10.6E-1 00E+0 00E+0 00E+0 00E+0 + +Sn+4 - 6 H+ + 6 H2O = Sn(OH)6-2 + log_k -11.13 + -analytic -11.13E+0 00E+0 00E+0 00E+0 00E+0 + +Sn+2 - H+ + Cl- + H2O = Sn(OH)Cl + log_k -3.1 #52VAN/RHO recalculated in 02HUM/BER + -analytic -31E-1 00E+0 00E+0 00E+0 00E+0 + +Sn+2 + Ox-2 = Sn(Ox) + log_k 6.5 #95AKR/BOU + -analytic 65E-1 00E+0 00E+0 00E+0 00E+0 + +Sn+2 + 2 Ox-2 = Sn(Ox)2-2 + log_k 12.9 #95AKR/BOU + -analytic 12.9E+0 00E+0 00E+0 00E+0 00E+0 + +Sn+2 + 3 Ox-2 = Sn(Ox)3-4 + log_k 17.1 #95AKR/BOU + -analytic 17.1E+0 00E+0 00E+0 00E+0 00E+0 + +Sn+2 + SO4-2 = Sn(SO4) + log_k 3.43 #12GAM/GAJ + delta_h 16.9 #kJ/mol Suggested but not selected in 12GAM/GAJ +# Enthalpy of formation: -902.057 kJ/mol + -analytic 63.90753E-1 00E+0 -88.27485E+1 00E+0 00E+0 + +3 Sn+2 - 4 H+ + 4 H2O = Sn3(OH)4+2 + log_k -5.6 #12GAM/GAJ + -analytic -56E-1 00E+0 00E+0 00E+0 00E+0 + +Sn+2 + Br- = SnBr+ + log_k 1.33 #12GAM/GAJ + -analytic 13.3E-1 00E+0 00E+0 00E+0 00E+0 + +Sn+2 + 2 Br- = SnBr2 + log_k 1.97 #12GAM/GAJ + -analytic 19.7E-1 00E+0 00E+0 00E+0 00E+0 + +Sn+2 + 3 Br- = SnBr3- + log_k 1.93 #12GAM/GAJ + -analytic 19.3E-1 00E+0 00E+0 00E+0 00E+0 + +Sn+2 + Cl- = SnCl+ + log_k 1.52 #12GAM/GAJ + delta_h 12.7 #kJ/mol 12GAM/GAJ +# Enthalpy of formation: -163.997 kJ/mol + -analytic 37.44944E-1 00E+0 -66.33672E+1 00E+0 00E+0 + +Sn+2 + 2 Cl- = SnCl2 + log_k 2.17 #12GAM/GAJ + delta_h 19.7 #kJ/mol 12GAM/GAJ +# Enthalpy of formation: -324.077 kJ/mol + -analytic 56.21292E-1 00E+0 -10.29003E+2 00E+0 00E+0 + +Sn+2 + 3 Cl- = SnCl3- + log_k 2.13 #12GAM/GAJ + -analytic 21.3E-1 00E+0 00E+0 00E+0 00E+0 + +Sn+2 + 4 Cl- = SnCl4-2 + log_k 2.03 #12GAM/GAJ + -analytic 20.3E-1 00E+0 00E+0 00E+0 00E+0 + +Sn+2 + F- = SnF+ + log_k 5.25 #12GAM/GAJ + delta_h -9.58 #kJ/mol +# Enthalpy of formation: -354.546 kJ/mol + -analytic 35.71656E-1 00E+0 50.03983E+1 00E+0 00E+0 + +Sn+2 + 2 F- = SnF2 + log_k 8.89 #12GAM/GAJ + delta_h -9.969 #kJ/mol +# Enthalpy of formation: -690.285 kJ/mol + -analytic 71.43506E-1 00E+0 52.07171E+1 00E+0 00E+0 + +Sn+2 + 3 F- = SnF3- + log_k 11.5 #12GAM/GAJ + delta_h -4.479 #kJ/mol +# Enthalpy of formation: -1020.145 kJ/mol + -analytic 10.71531E+0 00E+0 23.39545E+1 00E+0 00E+0 + +Sn+2 - H+ + H2(PO4)- = SnHPO4 + log_k 2.29 #00CIA/IUL + -analytic 22.9E-1 00E+0 00E+0 00E+0 00E+0 + +Sn+2 + I- = SnI+ + log_k 1.74 #68HAI/JOH1 recalculated + -analytic 17.4E-1 00E+0 00E+0 00E+0 00E+0 + +Sn+2 + 2 I- = SnI2 + log_k 2.69 #68HAI/JOH1 recalculated + -analytic 26.9E-1 00E+0 00E+0 00E+0 00E+0 + +Sn+2 - 2 H+ + H2(PO4)- = SnPO4- + log_k -1.56 #00CIA/IUL + -analytic -15.6E-1 00E+0 00E+0 00E+0 00E+0 + +2 H+ + SO3-2 - H2O = SO2 + log_k 9.03 + delta_h 21.45 #kJ/mol +# Enthalpy of formation: -323.780 kJ/mol 85GOL/PAR + -analytic 12.78788E+0 00E+0 -11.20412E+2 00E+0 00E+0 + +Sr+2 + Cit-3 = Sr(Cit)- + log_k 4.24 #95AKR/BOU + -analytic 42.4E-1 00E+0 00E+0 00E+0 00E+0 + +Sr+2 - H+ + 2 Cit-3 + H2O = Sr(Cit)2(OH)-5 + log_k -1.78 #95AKR/BOU + -analytic -17.8E-1 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + 2 Cit-3 = Sr(Cit)2-4 + log_k 4.84 #95AKR/BOU + -analytic 48.4E-1 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + CO3-2 = Sr(CO3) + log_k 2.81 #84BUS/PLU + delta_h 21.796 #kJ/mol +# Enthalpy of formation: -1204.335 kJ/mol + -analytic 66.28495E-1 00E+0 -11.38484E+2 00E+0 00E+0 + +Sr+2 + Edta-4 = Sr(Edta)-2 + log_k 10.3 #95AKR/BOU + -analytic 10.3E+0 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + 2 H+ + Cit-3 = Sr(H2Cit)+ + log_k 12.46 #95AKR/BOU + -analytic 12.46E+0 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + H2(PO4)- = Sr(H2PO4)+ + log_k 0.83 #97MAR/SMI; Uncertainty to include available data. + -analytic 83E-2 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + H+ + Cit-3 = Sr(HCit) + log_k 9 #95AKR/BOU + -analytic 90E-1 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + H+ + CO3-2 = Sr(HCO3)+ + log_k 11.51 #84BUS/PLUS + delta_h 10.597 #kJ/mol +# Enthalpy of formation: -1215.533 kJ/mol + -analytic 13.36651E+0 00E+0 -55.35199E+1 00E+0 00E+0 + +Sr+2 + H+ + Edta-4 = Sr(HEdta)- + log_k 14.7 #95AKR/BOU + -analytic 14.7E+0 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + H+ + Ox-2 = Sr(HOx)+ + log_k 5.8 #95AKR/BOU + -analytic 58E-1 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + 2 H+ + 2 Ox-2 = Sr(HOx)2 + log_k 10.8 #95AKR/BOU + -analytic 10.8E+0 00E+0 00E+0 00E+0 00E+0 + +Sr+2 - H+ + H2(PO4)- = Sr(HPO4) + log_k -4.7 #97MAR/SMI; Uncertainty to include available data. + -analytic -47E-1 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + IO3- = Sr(IO3)+ + log_k 0.33 #estimation NEA87 01/02/95 + -analytic 33E-2 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + 2 IO3- = Sr(IO3)2 + log_k -0.55 #estimation NEA87 01/02/95 + -analytic -55E-2 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + NH3 = Sr(NH3)+2 + log_k -0.55 #estimation NEA87 08/02/95 + -analytic -55E-2 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + NO3- = Sr(NO3)+ + log_k 0.6 #96FAL/REA + -analytic 60E-2 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + 2 NO3- = Sr(NO3)2 + log_k 0.31 #96FAL/REA + -analytic 31E-2 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + Nta-3 = Sr(Nta)- + log_k 6.25 #95AKR/BOU + -analytic 62.5E-1 00E+0 00E+0 00E+0 00E+0 + +Sr+2 - H+ + H2O = Sr(OH)+ + log_k -13.29 #76BAE/MES + delta_h 82.608 #kJ/mol +# Enthalpy of formation: -754.122 kJ/mol + -analytic 11.823E-1 00E+0 -43.14916E+2 00E+0 00E+0 + +Sr+2 + Ox-2 = Sr(Ox) + log_k 2.54 #95AKR/BOU + -analytic 25.4E-1 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + 2 Ox-2 = Sr(Ox)2-2 + log_k 3 #95AKR/BOU + -analytic 30E-1 00E+0 00E+0 00E+0 00E+0 + +Sr+2 - 2 H+ + H2(PO4)- = Sr(PO4)- + log_k -13.56 #96BOU1 + -analytic -13.56E+0 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + Pyrophos-4 = Sr(Pyrophos)-2 + log_k 5.4 #76SMI/MAR + -analytic 54E-1 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + S2O3-2 = Sr(S2O3) + log_k 2.04 #76SMI/MAR + -analytic 20.4E-1 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + SO4-2 = Sr(SO4) + log_k 2.3 #06BLA/IGN + delta_h 7.029 #kJ/mol 06BLA/IGN +# Enthalpy of formation: -1453.211 kJ/mol + -analytic 35.31428E-1 00E+0 -36.71502E+1 00E+0 00E+0 + +2 Sr+2 - H+ + Cit-3 + H2O = Sr2(Cit)(OH) + log_k 0.38 #95AKR/BOU + -analytic 38E-2 00E+0 00E+0 00E+0 00E+0 + +2 Sr+2 + UO2+2 + 3 CO3-2 = Sr2UO2(CO3)3 + log_k 29.7 #20GRE/GAO + -analytic 29.7E+0 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + B(OH)4- = SrB(OH)4+ + log_k 1.55 #80BAS + -analytic 15.5E-1 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + Cl- = SrCl+ + log_k 0.23 #96BOU1 + delta_h 4.926 #kJ/mol +# Enthalpy of formation: -713.054 kJ/mol + -analytic 10.92998E-1 00E+0 -25.73029E+1 00E+0 00E+0 + +Sr+2 + F- = SrF+ + log_k 0.3 #96BOU + delta_h 16.74 #kJ/mol 96BOU +# Enthalpy of formation: -869.510 kJ/mol + -analytic 32.32722E-1 00E+0 -87.43911E+1 00E+0 00E+0 + +Sr+2 + 2 F- = SrF2 + log_k 2.02 #96FAL/REA + -analytic 20.2E-1 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + I- = SrI+ + log_k 0.14 #estimation NEA87 01/02/95 + -analytic 14E-2 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + 2 I- = SrI2 + log_k -0.04 #estimation NEA87 01/02/95 + -analytic -40E-3 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + UO2+2 + 3 CO3-2 = SrUO2(CO3)3-2 + log_k 25.9 #20GRE/GAO + -analytic 25.9E+0 00E+0 00E+0 00E+0 00E+0 + +2 TcO(OH)2 + 2 H+ - 2 H2O = Tc2O2(OH)2+2 + log_k 12.99 #20GRE/GAO + -analytic 12.99E+0 00E+0 00E+0 00E+0 00E+0 + +TcO(OH)2 + 2 H+ + CO3-2 - H2O = TcCO3(OH)2 + log_k 19.25 #99RAR/RAN + -analytic 19.25E+0 00E+0 00E+0 00E+0 00E+0 + +TcO(OH)2 + H+ + CO3-2 = TcCO3(OH)3- + log_k 10.95 #99RAR/RAN + -analytic 10.95E+0 00E+0 00E+0 00E+0 00E+0 + +TcO(OH)2 + H+ - H2O + Acetate- = TcO(OH)(Acetate) + log_k 5.55 #11RIC/GRI + -analytic 55.5E-1 00E+0 00E+0 00E+0 00E+0 + +TcO(OH)2 + H+ + Nta-3 - H2O = TcO(OH)(Nta)-2 + log_k 13.3 #95AKR/BOU + -analytic 13.3E+0 00E+0 00E+0 00E+0 00E+0 + +TcO(OH)2 + H+ + 2 Nta-3 - H2O = TcO(OH)(Nta)2-5 + log_k 11.7 #95AKR/BOU + -analytic 11.7E+0 00E+0 00E+0 00E+0 00E+0 + +TcO(OH)2 + Cit-3 = TcO(OH)2Cit-3 + log_k 2.8 #13WAL/KAR + -analytic 28E-1 00E+0 00E+0 00E+0 00E+0 + +TcO(OH)2 - H+ + H2O = TcO(OH)3- + log_k -10.92 #20GRE/GAO + delta_h 39.03 #kJ/mol 97NGU/LAN +# Enthalpy of formation: -996.043 kJ/mol + -analytic -40.82238E-1 00E+0 -20.38679E+2 00E+0 00E+0 + +TcO(OH)2 + 2 H+ + Ox-2 - 2 H2O = TcO(Ox) + log_k 9.8 #06XIA/HES + -analytic 98E-1 00E+0 00E+0 00E+0 00E+0 + +TcO(OH)2 + 2 H+ + 2 Ox-2 - 2 H2O = TcO(Ox)2-2 + log_k 13.66 #06XIA/HES + -analytic 13.66E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + Acetate- = Th(Acetate)+3 + log_k 5.24 #11RIC/GRI + -analytic 52.4E-1 00E+0 00E+0 00E+0 00E+0 + +Th+4 + 2 Acetate- = Th(Acetate)2+2 + log_k 9.44 #11RIC/GRI + -analytic 94.4E-1 00E+0 00E+0 00E+0 00E+0 + +Th+4 + 3 Acetate- = Th(Acetate)3+ + log_k 12.56 #11RIC/GRI + -analytic 12.56E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + 4 Acetate- = Th(Acetate)4 + log_k 14.38 #11RIC/GRI + -analytic 14.38E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + 5 Acetate- = Th(Acetate)5- + log_k 15.37 #11RIC/GRI + -analytic 15.37E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + Cit-3 = Th(Cit)+ + log_k 14.13 #87RAY/DUF + -analytic 14.13E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + 2 Cit-3 = Th(Cit)2-2 + log_k 24.29 #87RAY/DUF + -analytic 24.29E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + 5 CO3-2 = Th(CO3)5-6 + log_k 31 #09RAN/FUG + -analytic 31E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + Edta-4 = Th(Edta) + log_k 26.95 #95AKR/BOU + -analytic 26.95E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + H2(PO4)- = Th(H2PO4)+3 + log_k 5.59 #09RAN/FUG + -analytic 55.9E-1 00E+0 00E+0 00E+0 00E+0 + +Th+4 + 2 H2(PO4)- = Th(H2PO4)2+2 + log_k 10.48 #09RAN/FUG + -analytic 10.48E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + H+ + 2 H2(PO4)- = Th(H3PO4)(H2PO4)+3 + log_k 9.7 #09RAN/FUG + -analytic 97E-1 00E+0 00E+0 00E+0 00E+0 + +Th+4 + H+ + H2(PO4)- = Th(H3PO4)+4 + log_k 4.03 #09RAN/FUG + -analytic 40.3E-1 00E+0 00E+0 00E+0 00E+0 + +Th+4 + H+ + Edta-4 = Th(HEdta)+ + log_k 28.7 #95AKR/BOU + -analytic 28.7E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + H+ + Ox-2 = Th(HOx)+3 + log_k 11 #95AKR/BOU + -analytic 11E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + 2 H+ + 2 Ox-2 = Th(HOx)2+2 + log_k 18.13 #95AKR/BOU + -analytic 18.13E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + 4 H+ + 4 Ox-2 = Th(HOx)4 + log_k 24.3 #95AKR/BOU + -analytic 24.3E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + Malonate-2 = Th(Malonate)+2 + log_k 9.32 #13GRI/CAM + -analytic 93.2E-1 00E+0 00E+0 00E+0 00E+0 + +Th+4 + 2 Malonate-2 = Th(Malonate)2 + log_k 16.07 #13GRI/CAM + -analytic 16.07E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + 3 Malonate-2 = Th(Malonate)3-2 + log_k 19.63 #13GRI/CAM + -analytic 19.63E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + NO3- = Th(NO3)+3 + log_k 1.3 #09RAN/FUG + -analytic 13E-1 00E+0 00E+0 00E+0 00E+0 + +Th+4 + 2 NO3- = Th(NO3)2+2 + log_k 2.3 #09RAN/FUG + -analytic 23E-1 00E+0 00E+0 00E+0 00E+0 + +Th+4 + Nta-3 = Th(Nta)+ + log_k 19.73 #16BON/AUP + -analytic 19.73E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 - H+ + 4 CO3-2 + H2O = Th(OH)(CO3)4-5 + log_k 21.6 #09RAN/FUG + -analytic 21.6E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 - H+ + Edta-4 + H2O = Th(OH)(Edta)- + log_k 19.5 #95AKR/BOU + -analytic 19.5E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 - H+ + H2O = Th(OH)+3 + log_k -2.5 #09RAN/FUG + delta_h 44.2 #kJ/mol 09RAN/FUG +# Enthalpy of formation: -1010.330 kJ/mol + -analytic 52.43508E-1 00E+0 -23.08727E+2 00E+0 00E+0 + +Th+4 - 2 H+ + CO3-2 + 2 H2O = Th(OH)2(CO3) + log_k 2.5 #09RAN/FUG + -analytic 25E-1 00E+0 00E+0 00E+0 00E+0 + +Th+4 - 2 H+ + 2 CO3-2 + 2 H2O = Th(OH)2(CO3)2-2 + log_k 8.8 #09RAN/FUG + -analytic 88E-1 00E+0 00E+0 00E+0 00E+0 + +Th+4 - 2 H+ + 2 H2O = Th(OH)2+2 + log_k -6.2 #09RAN/FUG + delta_h 85.7 #kJ/mol 09RAN/FUG +# Enthalpy of formation: -1254.660 kJ/mol + -analytic 88.13996E-1 00E+0 -44.76423E+2 00E+0 00E+0 + +Th+4 - 2 H+ + Edta-4 + 2 H2O = Th(OH)2Edta-2 + log_k 11.5 #03XIA/FEL + -analytic 11.5E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 - 3 H+ + CO3-2 + 3 H2O = Th(OH)3(CO3)- + log_k -3.7 #09RAN/FUG + -analytic -37E-1 00E+0 00E+0 00E+0 00E+0 + +Th+4 - 3 H+ + 2 HGlu- + 3 H2O = Th(OH)3(HGlu)2- + log_k -4.9 #Analogy with An(IV)-ISA + -analytic -49E-1 00E+0 00E+0 00E+0 00E+0 + +Th+4 - 3 H+ + 2 HIsa- + 3 H2O = Th(OH)3(HIsa)2- + log_k -4.9 #09RAI/YUI + -analytic -49E-1 00E+0 00E+0 00E+0 00E+0 + +Th+4 - 3 H+ + 3 H2O = Th(OH)3+ + log_k -11 #10GRI/RIB + delta_h 125.623 #kJ/mol +# Enthalpy of formation: -1500.566 kJ/mol + -analytic 11.0082E+0 00E+0 -65.61746E+2 00E+0 00E+0 + +Th+4 - 3 H+ + Edta-4 + 3 H2O = Th(OH)3Edta-3 + log_k -4 #03XIA/FEL + -analytic -40E-1 00E+0 00E+0 00E+0 00E+0 + +Th+4 - 4 H+ + 4 H2O = Th(OH)4 + log_k -17.4 #09RAN/FUG + delta_h 152.688 #kJ/mol +# Enthalpy of formation: -1759.331 kJ/mol + -analytic 93.49789E-1 00E+0 -79.7545E+2 00E+0 00E+0 + +Th+4 - 4 H+ + CO3-2 + 4 H2O = Th(OH)4(CO3)-2 + log_k -15.6 #09RAN/FUG + -analytic -15.6E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 - 4 H+ + HGlu- + 4 H2O = Th(OH)4(HGlu)- + log_k -14.7 #Analogy with An(IV)-ISA + -analytic -14.7E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 - 4 H+ + 2 HGlu- + 4 H2O = Th(OH)4(HGlu)2-2 + log_k -12.5 #Analogy with An(IV)-ISA + -analytic -12.5E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 - 4 H+ + HIsa- + 4 H2O = Th(OH)4(HIsa)- + log_k -14.7 #Reevaluated from 09RAI/YUI + -analytic -14.7E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 - 4 H+ + 2 HIsa- + 4 H2O = Th(OH)4(HIsa)2-2 + log_k -12.5 #Reevaluated from 09RAI/YUI + -analytic -12.5E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + Ox-2 = Th(Ox)+2 + log_k 9.7 #08SAS/TAK; 09KOB/SAS + -analytic 97E-1 00E+0 00E+0 00E+0 00E+0 + +Th+4 + 2 Ox-2 = Th(Ox)2 + log_k 16 #08SAS/TAK; 09KOB/SAS + -analytic 16E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + 3 Ox-2 = Th(Ox)3-2 + log_k 22.2 #08SAS/TAK; 09KOB/SAS + -analytic 22.2E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + SO4-2 = Th(SO4)+2 + log_k 6.17 #09RAN/FUG + delta_h 20.92 #kJ/mol 09RAN/FUG +# Enthalpy of formation: -1657.120 kJ/mol + -analytic 98.35027E-1 00E+0 -10.92728E+2 00E+0 00E+0 + +Th+4 + 2 SO4-2 = Th(SO4)2 + log_k 9.69 #09RAN/FUG + delta_h 40.38 #kJ/mol 09RAN/FUG +# Enthalpy of formation: -2547.000 kJ/mol + -analytic 16.76427E+0 00E+0 -21.09194E+2 00E+0 00E+0 + +Th+4 + 3 SO4-2 = Th(SO4)3-2 + log_k 10.75 #09RAN/FUG + -analytic 10.75E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + Succinat-2 = Th(Succinat)+2 + log_k 8.49 #13GRI/CAM + -analytic 84.9E-1 00E+0 00E+0 00E+0 00E+0 + +Th+4 + 2 Succinat-2 = Th(Succinat)2 + log_k 12.92 #13GRI/CAM + -analytic 12.92E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + 3 Succinat-2 = Th(Succinat)3-2 + log_k 16.62 #13GRI/CAM + -analytic 16.62E+0 00E+0 00E+0 00E+0 00E+0 + +2 Th+4 - 2 H+ + 2 H2O = Th2(OH)2+6 + log_k -5.9 #09RAN/FUG + delta_h 58.3 #kJ/mol 09RAN/FUG +# Enthalpy of formation: -2050.760 kJ/mol + -analytic 43.13722E-1 00E+0 -30.45221E+2 00E+0 00E+0 + +2 Th+4 - 3 H+ + 3 H2O = Th2(OH)3+5 + log_k -6.8 #09RAN/FUG + -analytic -68E-1 00E+0 00E+0 00E+0 00E+0 + +4 Th+4 - 12 H+ + 12 H2O = Th4(OH)12+4 + log_k -26.6 #09RAN/FUG + -analytic -26.6E+0 00E+0 00E+0 00E+0 00E+0 + +4 Th+4 - 8 H+ + 8 H2O = Th4(OH)8+8 + log_k -20.4 #09RAN/FUG + delta_h 243 #kJ/mol 09RAN/FUG +# Enthalpy of formation: -5118.440 kJ/mol + -analytic 22.17177E+0 00E+0 -12.69277E+3 00E+0 00E+0 + +6 Th+4 - 14 H+ + 14 H2O = Th6(OH)14+10 + log_k -36.8 #09RAN/FUG + -analytic -36.8E+0 00E+0 00E+0 00E+0 00E+0 + +6 Th+4 - 15 H+ + 15 H2O = Th6(OH)15+9 + log_k -36.8 #09RAN/FUG + delta_h 472.8 #kJ/mol 09RAN/FUG +# Enthalpy of formation: -8426.850 kJ/mol + -analytic 46.031E+0 00E+0 -24.69606E+3 00E+0 00E+0 + +Th+4 + Cl- = ThCl+3 + log_k 1.7 #09RAN/FUG + -analytic 17E-1 00E+0 00E+0 00E+0 00E+0 + +Th+4 + F- = ThF+3 + log_k 8.87 #09RAN/FUG + delta_h -0.4 #kJ/mol 09RAN/FUG +# Enthalpy of formation: -1104.450 kJ/mol + -analytic 87.99923E-1 00E+0 20.89346E+0 00E+0 00E+0 + +Th+4 + 2 F- = ThF2+2 + log_k 15.63 #09RAN/FUG + delta_h -3.3 #kJ/mol 09RAN/FUG +# Enthalpy of formation: -1442.700 kJ/mol + -analytic 15.05186E+0 00E+0 17.2371E+1 00E+0 00E+0 + +Th+4 + 3 F- = ThF3+ + log_k 20.67 #09RAN/FUG + -analytic 20.67E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + 4 F- = ThF4 + log_k 25.58 #09RAN/FUG + -analytic 25.58E+0 00E+0 00E+0 00E+0 00E+0 + +U+4 + Acetate- = U(Acetate)+3 + log_k 5.64 #12GRI/GAR2 + -analytic 56.4E-1 00E+0 00E+0 00E+0 00E+0 + +U+4 + 2 Acetate- = U(Acetate)2+2 + log_k 9.81 #12GRI/GAR2 + -analytic 98.1E-1 00E+0 00E+0 00E+0 00E+0 + +U+4 + 4 CO3-2 = U(CO3)4-4 + log_k 35.12 #03GUI/FAN + -analytic 35.12E+0 00E+0 00E+0 00E+0 00E+0 + +U+4 + 5 CO3-2 = U(CO3)5-6 + log_k 34 #03GUI/FAN + delta_h -20 #kJ/mol 03GUI/FAN +# Enthalpy of formation: -3987.350 kJ/mol + -analytic 30.49615E+0 00E+0 10.44673E+2 00E+0 00E+0 + +U+4 + Edta-4 = U(Edta) + log_k 29.5 #05HUM/AND + -analytic 29.5E+0 00E+0 00E+0 00E+0 00E+0 + +U+4 + NO3- = U(NO3)+3 + log_k 1.47 #92GRE/FUG + -analytic 14.7E-1 00E+0 00E+0 00E+0 00E+0 + +U+4 + 2 NO3- = U(NO3)2+2 + log_k 2.3 #92GRE/FUG + -analytic 23E-1 00E+0 00E+0 00E+0 00E+0 + +U+4 + Nta-3 = U(Nta)+ + log_k 20 #95AKR/BOU + -analytic 20E+0 00E+0 00E+0 00E+0 00E+0 + +U+4 - H+ + Edta-4 + H2O = U(OH)(Edta)- + log_k 22.7 #23ROD/COL + -analytic 22.7E+0 00E+0 00E+0 00E+0 00E+0 + +U+4 - H+ + H2O = U(OH)+3 + log_k -0.54 #20GRE/GAO + delta_h 46.91 #kJ/mol +# Enthalpy of formation: -830.119 kJ/mol + -analytic 76.78279E-1 00E+0 -24.5028E+2 00E+0 00E+0 + +U+4 - 2 H+ + 2 CO3-2 + 2 H2O = U(OH)2(CO3)2-2 + log_k 14.36 #98RAI/HES + -analytic 14.36E+0 00E+0 00E+0 00E+0 00E+0 + +U+4 - 2 H+ + Edta-4 + 2 H2O = U(OH)2(Edta)-2 + log_k 16.68 #23ROD/COL + -analytic 16.68E+0 00E+0 00E+0 00E+0 00E+0 + +U+4 - 2 H+ + 2 H2O = U(OH)2+2 + log_k -1.9 #20GRE/GAO + delta_h 59.014 #kJ/mol +# Enthalpy of formation: -1103.845 kJ/mol + -analytic 84.38809E-1 00E+0 -30.82516E+2 00E+0 00E+0 + +U+4 - 3 H+ + Edta-4 + 3 H2O = U(OH)3(Edta)-3 + log_k 7.06 #23ROD/COL + -analytic 70.6E-1 00E+0 00E+0 00E+0 00E+0 + +U+4 - 3 H+ + 3 H2O = U(OH)3+ + log_k -5.2 #20GRE/GAO + delta_h 89.407 #kJ/mol +# Enthalpy of formation: -1359.281 kJ/mol + -analytic 10.46343E+0 00E+0 -46.70053E+2 00E+0 00E+0 + +U+4 - 4 H+ + 4 H2O = U(OH)4 + log_k -10 #03GUI/FAN + delta_h 109.87 #kJ/mol +# Enthalpy of formation: -1624.649 kJ/mol + -analytic 92.48398E-1 00E+0 -57.3891E+2 00E+0 00E+0 + +U+4 - 4 H+ + HGlu- + 4 H2O = U(OH)4(HGlu)- + log_k -7.6 #Analogy with An(IV)-ISA + -analytic -76E-1 00E+0 00E+0 00E+0 00E+0 + +U+4 - 4 H+ + 2 HGlu- + 4 H2O = U(OH)4(HGlu)2-2 + log_k -5.4 #Analogy with An(IV)-ISA + -analytic -54E-1 00E+0 00E+0 00E+0 00E+0 + +U+4 - 4 H+ + HIsa- + 4 H2O = U(OH)4(HIsa)- + log_k -7.6 #19KOB/SAS + -analytic -76E-1 00E+0 00E+0 00E+0 00E+0 + +U+4 - 4 H+ + 2 HIsa- + 4 H2O = U(OH)4(HIsa)2-2 + log_k -5.4 #19KOB/SAS + -analytic -54E-1 00E+0 00E+0 00E+0 00E+0 + +U+4 + 2 Ox-2 = U(Ox)2 + log_k 18.63 #12GRI/GAR2 + -analytic 18.63E+0 00E+0 00E+0 00E+0 00E+0 + +U+4 + 3 Ox-2 = U(Ox)3-2 + log_k 24.19 #12GRI/GAR2 + -analytic 24.19E+0 00E+0 00E+0 00E+0 00E+0 + +U+4 + SO4-2 = U(SO4)+2 + log_k 6.58 #92GRE/FUG + delta_h 8 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -1492.540 kJ/mol + -analytic 79.8154E-1 00E+0 -41.78691E+1 00E+0 00E+0 + +U+4 + 2 SO4-2 = U(SO4)2 + log_k 10.51 #92GRE/FUG + delta_h 32.7 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -2377.180 kJ/mol + -analytic 16.23879E+0 00E+0 -17.0804E+2 00E+0 00E+0 + +U+4 + Br- = UBr+3 + log_k 1.46 #92GRE/FUG + -analytic 14.6E-1 00E+0 00E+0 00E+0 00E+0 + +U+4 + Cl- = UCl+3 + log_k 1.72 #92GRE/FUG + delta_h -19 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -777.280 kJ/mol + -analytic -16.08657E-1 00E+0 99.24391E+1 00E+0 00E+0 + +U+4 + F- = UF+3 + log_k 9.42 #03GUI/FAN + delta_h -5.6 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -932.150 kJ/mol + -analytic 84.38922E-1 00E+0 29.25084E+1 00E+0 00E+0 + +U+4 + 2 F- = UF2+2 + log_k 16.56 #03GUI/FAN + delta_h -3.5 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -1265.400 kJ/mol + -analytic 15.94683E+0 00E+0 18.28177E+1 00E+0 00E+0 + +U+4 + 3 F- = UF3+ + log_k 21.89 #03GUI/FAN + delta_h 0.5 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -1596.750 kJ/mol + -analytic 21.9776E+0 00E+0 -26.11682E+0 00E+0 00E+0 + +U+4 + 4 F- = UF4 + log_k 26.34 #03GUI/FAN + delta_h -8.43 #kJ/mol +# Enthalpy of formation: -1941.028 kJ/mol + -analytic 24.86313E+0 00E+0 44.03296E+1 00E+0 00E+0 + +U+4 + 5 F- = UF5- + log_k 27.73 #03GUI/FAN + delta_h -11.636 #kJ/mol +# Enthalpy of formation: -2279.584 kJ/mol + -analytic 25.69146E+0 00E+0 60.77906E+1 00E+0 00E+0 + +U+4 + 6 F- = UF6-2 + log_k 29.8 #03GUI/FAN + -analytic 29.8E+0 00E+0 00E+0 00E+0 00E+0 + +U+4 + I- = UI+3 + log_k 1.25 #92GRE/FUG + -analytic 12.5E-1 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + Acetate- = UO2(Acetate)+ + log_k 3.02 #11RIC/GRI + delta_h -15.894 #kJ/mol +# Enthalpy of formation: -1520.904 kJ/mol + -analytic 23.54907E-2 00E+0 83.02014E+1 00E+0 00E+0 + +UO2+2 + 2 Acetate- = UO2(Acetate)2 + log_k 5.2 #11RIC/GRI + delta_h -34.94 #kJ/mol +# Enthalpy of formation: -2025.960 kJ/mol + -analytic -92.12252E-2 00E+0 18.25043E+2 00E+0 00E+0 + +UO2+2 + 3 Acetate- = UO2(Acetate)3- + log_k 7.03 #11RIC/GRI + delta_h -65.46 #kJ/mol +# Enthalpy of formation: -2542.491 kJ/mol + -analytic -44.381E-1 00E+0 34.19214E+2 00E+0 00E+0 + +UO2+2 + Cit-3 = UO2(Cit)- + log_k 8.96 #05HUM/AND + -analytic 89.6E-1 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + CO3-2 = UO2(CO3) + log_k 9.94 #03GUI/FAN + delta_h 5 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -1689.230 kJ/mol + -analytic 10.81596E+0 00E+0 -26.11682E+1 00E+0 00E+0 + +UO2+2 + 2 CO3-2 = UO2(CO3)2-2 + log_k 16.61 #03GUI/FAN + delta_h 18.5 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -2350.960 kJ/mol + -analytic 19.85106E+0 00E+0 -96.63223E+1 00E+0 00E+0 + +UO2+2 + 3 CO3-2 = UO2(CO3)3-4 + log_k 21.84 #03GUI/FAN + delta_h -39.2 #kJ/mol 03GUI/FAN +# Enthalpy of formation: -3083.890 kJ/mol + -analytic 14.97245E+0 00E+0 20.47559E+2 00E+0 00E+0 + +UO2+ + 3 CO3-2 = UO2(CO3)3-5 + log_k 6.95 #03GUI/FAN + -analytic 69.5E-1 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + Edta-4 = UO2(Edta)-2 + log_k 13.7 #05HUM/AND + -analytic 13.7E+0 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + 2 H+ + AsO4-3 = UO2(H2AsO4)+ + log_k 21.96 #03GUI/FAN + -analytic 21.96E+0 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + 4 H+ + 2 AsO4-3 = UO2(H2AsO4)2 + log_k 41.53 #03GUI/FAN + -analytic 41.53E+0 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + H+ + 2 H2(PO4)- = UO2(H2PO4)(H3PO4)+ + log_k 5.93 #92GRE/FUG + -analytic 59.3E-1 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + H2(PO4)- = UO2(H2PO4)+ + log_k 3.26 #92GRE/FUG + delta_h -15.34 #kJ/mol +# Enthalpy of formation: -2336.940 kJ/mol + -analytic 57.25474E-2 00E+0 80.1264E+1 00E+0 00E+0 + +UO2+2 + 2 H2(PO4)- = UO2(H2PO4)2 + log_k 4.92 #92GRE/FUG + delta_h -51.871 #kJ/mol +# Enthalpy of formation: -3676.070 kJ/mol + -analytic -41.67409E-1 00E+0 27.09411E+2 00E+0 00E+0 + +UO2+2 + H+ + H2(PO4)- = UO2(H3PO4)+2 + log_k 2.9 #92GRE/FUG + -analytic 29E-1 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + H+ + AsO4-3 = UO2(HAsO4) + log_k 18.76 #03GUI/FAN + -analytic 18.76E+0 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + H+ + Cit-3 = UO2(HCit) + log_k 11.36 #05HUM/AND + -analytic 11.36E+0 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + H+ + Edta-4 = UO2(HEdta)- + log_k 19.61 #05HUM/AND + -analytic 19.61E+0 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + HGlu- = UO2(HGlu)+ + log_k 2.59 #09ZHA/HEL + -analytic 25.9E-1 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + HIsa- = UO2(HIsa)+ + log_k 3.7 #04RAO/GAR + -analytic 37E-1 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + 2 HIsa- = UO2(HIsa)2 + log_k 6.6 #04RAO/GAR + -analytic 66E-1 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + 3 HIsa- = UO2(HIsa)3- + log_k 8.5 #04RAO/GAR + -analytic 85E-1 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + H+ + Nta-3 = UO2(HNta) + log_k 14.5 #06DES/GIA + -analytic 14.5E+0 00E+0 00E+0 00E+0 00E+0 + +UO2+2 - H+ + H2(PO4)- = UO2(HPO4) + log_k 0.03 #92GRE/FUG + delta_h 2.783 #kJ/mol +# Enthalpy of formation: -2318.816 kJ/mol + -analytic 51.75607E-2 00E+0 -14.53662E+1 00E+0 00E+0 + +UO2+2 + 2 H+ + 2 SeO3-2 = UO2(HSeO3)2 + log_k 22.23 #20GRE/GAO + -analytic 22.23E+0 00E+0 00E+0 00E+0 00E+0 + +UO2+2 - 12 H+ - 12 e- + 2 I- + 6 H2O = UO2(IO3)2 + log_k -219.54 #92GRE/FUG + -analytic -21.954E+1 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + NO3- = UO2(NO3)+ + log_k -0.19 #20GRE/GAO + delta_h 20.9 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -1204.950 kJ/mol + -analytic 34.71523E-1 00E+0 -10.91683E+2 00E+0 00E+0 + +UO2+2 + Nta-3 = UO2(Nta)- + log_k 10.15 #06DES/GIA + -analytic 10.15E+0 00E+0 00E+0 00E+0 00E+0 + +UO2+2 - H+ + HGlu- + H2O = UO2(OH)(HGlu) + log_k 0.2 #09ZHA/HEL + -analytic 20E-2 00E+0 00E+0 00E+0 00E+0 + +UO2+2 - H+ + Ox-2 + H2O = UO2(OH)(Ox)- + log_k 0.63 #56GRI/PTI + -analytic 63E-2 00E+0 00E+0 00E+0 00E+0 + +UO2+2 - H+ + H2O = UO2(OH)+ + log_k -5.25 #03GUI/FAN + delta_h 43.3 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -1261.530 kJ/mol + -analytic 23.35834E-1 00E+0 -22.61717E+2 00E+0 00E+0 + +UO2+2 - 2 H+ + 2 H2O = UO2(OH)2 + log_k -12.15 #03GUI/FAN + delta_h 76.821 #kJ/mol +# Enthalpy of formation: -1513.839 kJ/mol + -analytic 13.08461E-1 00E+0 -40.1264E+2 00E+0 00E+0 + +UO2+2 - 3 H+ + 3 H2O = UO2(OH)3- + log_k -20.25 #03GUI/FAN + delta_h 113.757 #kJ/mol +# Enthalpy of formation: -1762.732 kJ/mol + -analytic -32.06291E-2 00E+0 -59.41942E+2 00E+0 00E+0 + +UO2+2 - 3 H+ + 2 HIsa- + 3 H2O = UO2(OH)3(HIsa)2-3 + log_k -14.5 #19KOB/SAS + -analytic -14.5E+0 00E+0 00E+0 00E+0 00E+0 + +UO2+2 - 4 H+ + 4 H2O = UO2(OH)4-2 + log_k -32.4 #03GUI/FAN + delta_h 164.152 #kJ/mol +# Enthalpy of formation: -1998.167 kJ/mol + -analytic -36.41804E-1 00E+0 -85.74256E+2 00E+0 00E+0 + +UO2+2 + Ox-2 = UO2(Ox) + log_k 7.13 #05HUM/AND + delta_h 25.36 #kJ/mol +# Enthalpy of formation: -1824.300 kJ/mol 05HUM/AND + -analytic 11.57288E+0 00E+0 -13.24645E+2 00E+0 00E+0 + +UO2+2 + 2 Ox-2 = UO2(Ox)2-2 + log_k 11.65 #05HUM/AND + -analytic 11.65E+0 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + 3 Ox-2 = UO2(Ox)3-4 + log_k 13.8 #05HUM/AND + -analytic 13.8E+0 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + Phthalat-2 = UO2(Phthalat) + log_k 5.56 #11GRI/COL2 + -analytic 55.6E-1 00E+0 00E+0 00E+0 00E+0 + +UO2+2 - 2 H+ + H2(PO4)- = UO2(PO4)- + log_k -8.55 #20GRE/GAO + -analytic -85.5E-1 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + S2O3-2 = UO2(S2O3) + log_k 2.8 #92GRE/FUG + -analytic 28E-1 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + SeO4-2 = UO2(SeO4) + log_k 2.93 #20GRE/GAO + delta_h 20 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -1602.500 kJ/mol + -analytic 64.3385E-1 00E+0 -10.44673E+2 00E+0 00E+0 + +UO2+2 + 2 SeO4-2 = UO2(SeO4)2-2 + log_k 4.03 #20GRE/GAO + delta_h 31 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -2195.000 kJ/mol + -analytic 94.60967E-1 00E+0 -16.19243E+2 00E+0 00E+0 + +UO2+2 + SO3-2 = UO2(SO3) + log_k 6.6 #92GRE/FUG + -analytic 66E-1 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + SO4-2 = UO2(SO4) + log_k 3.15 #20GRE/GAO + delta_h 19.5 #kJ/mol 03GUI/FAN +# Enthalpy of formation: -1908.840 kJ/mol + -analytic 65.66253E-1 00E+0 -10.18556E+2 00E+0 00E+0 + +UO2+2 + 2 SO4-2 = UO2(SO4)2-2 + log_k 4.14 #20GRE/GAO + delta_h 35.1 #kJ/mol 03GUI/FAN +# Enthalpy of formation: -2802.580 kJ/mol + -analytic 10.28926E+0 00E+0 -18.33401E+2 00E+0 00E+0 + +UO2+2 + 3 SO4-2 = UO2(SO4)3-4 + log_k 3.02 #03GUI/FAN + -analytic 30.2E-1 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + Succinat-2 = UO2(Succinat) + log_k 5.28 #13GRI/CAM + -analytic 52.8E-1 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + Br- = UO2Br+ + log_k 0.22 #92GRE/FUG + -analytic 22E-2 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + Cl- = UO2Cl+ + log_k 0.17 #92GRE/FUG + delta_h 8 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -1178.080 kJ/mol + -analytic 15.7154E-1 00E+0 -41.78691E+1 00E+0 00E+0 + +UO2+2 + 2 Cl- = UO2Cl2 + log_k -1.1 #92GRE/FUG + delta_h 15 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -1338.160 kJ/mol + -analytic 15.27887E-1 00E+0 -78.35046E+1 00E+0 00E+0 + +UO2+2 + CO3-2 + F- = UO2CO3F- + log_k 13.7 #03GUI/FAN + -analytic 13.7E+0 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + CO3-2 + 2 F- = UO2CO3F2-2 + log_k 15.57 #03GUI/FAN + -analytic 15.57E+0 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + CO3-2 + 3 F- = UO2CO3F3-3 + log_k 16.38 #03GUI/FAN + -analytic 16.38E+0 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + F- = UO2F+ + log_k 5.16 #03GUI/FAN + delta_h -0.54 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -1354.890 kJ/mol + -analytic 50.65396E-1 00E+0 28.20616E+0 00E+0 00E+0 + +UO2+2 + 2 F- = UO2F2 + log_k 8.83 #03GUI/FAN + delta_h -1.34 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -1691.040 kJ/mol + -analytic 85.95242E-1 00E+0 69.99307E+0 00E+0 00E+0 + +UO2+2 + 3 F- = UO2F3- + log_k 10.9 #03GUI/FAN + delta_h -1.18 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -2026.230 kJ/mol + -analytic 10.69327E+0 00E+0 61.63569E+0 00E+0 00E+0 + +UO2+2 + 4 F- = UO2F4-2 + log_k 11.84 #03GUI/FAN + delta_h -2.12 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -2362.520 kJ/mol + -analytic 11.46859E+0 00E+0 11.07353E+1 00E+0 00E+0 + +UO2+2 + H+ + SeO3-2 = UO2HSeO3+ + log_k 11.63 #20GRE/GAO + -analytic 11.63E+0 00E+0 00E+0 00E+0 00E+0 + +UO2+2 - 6 H+ - 6 e- + I- + 3 H2O = UO2IO3+ +# DLP: This species will be in the U(6) and I(-1) mole balance + log_k -109.56 #92GRE/FUG + delta_h 704.37 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -1228.900 kJ/mol + -analytic 13.84033E+0 00E+0 -36.79181E+3 00E+0 00E+0 + +UO2+2 - H+ + H4(SiO4) = UO2SiO(OH)3+ + log_k -1.88 #20GRE/GAO + delta_h 40 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -2440.194 kJ/mol + -analytic 51.27699E-1 00E+0 -20.89346E+2 00E+0 00E+0 + +U+4 + Ox-2 = UOx+2 + log_k 10.67 #12GRI/GAR2 + -analytic 10.67E+0 00E+0 00E+0 00E+0 00E+0 + +Zn+2 + SeO4-2 = Zn(SeO4) + log_k 2.16 #05OLI/NOL + delta_h 4.6 #kJ/mol 05OLI/NOL +# Enthalpy of formation: -752.290 kJ/mol + -analytic 29.65885E-1 00E+0 -24.02747E+1 00E+0 00E+0 + +4 CO3-2 + Zr+4 = Zr(CO3)4-4 + log_k 42.9 #05BRO/CUR + -analytic 42.9E+0 00E+0 00E+0 00E+0 00E+0 + +2 NO3- + Zr+4 = Zr(NO3)2+2 + log_k 2.64 #05BRO/CUR + -analytic 26.4E-1 00E+0 00E+0 00E+0 00E+0 + +- H+ + Zr+4 + H2O = Zr(OH)+3 + log_k 0.32 #05BRO/CUR + -analytic 32E-2 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + Zr+4 + 2 H2O = Zr(OH)2+2 + log_k 0.98 #05BRO/CUR + -analytic 98E-2 00E+0 00E+0 00E+0 00E+0 + +- 4 H+ + Zr+4 + 4 H2O = Zr(OH)4 + log_k -2.19 #05BRO/CUR + -analytic -21.9E-1 00E+0 00E+0 00E+0 00E+0 + +- 6 H+ + Zr+4 + 6 H2O = Zr(OH)6-2 + log_k -29 #05BRO/CUR + -analytic -29E+0 00E+0 00E+0 00E+0 00E+0 + +2 SO4-2 + Zr+4 = Zr(SO4)2 + log_k 11.54 #05BRO/CUR + delta_h 67.38 #kJ/mol +# Enthalpy of formation: -2359.800 kJ/mol 05BRO/CUR + -analytic 23.34447E+0 00E+0 -35.19503E+2 00E+0 00E+0 + +3 SO4-2 + Zr+4 = Zr(SO4)3-2 + log_k 14.3 #05BRO/CUR + -analytic 14.3E+0 00E+0 00E+0 00E+0 00E+0 + +- 4 H+ + 3 Zr+4 + 4 H2O = Zr3(OH)4+8 + log_k 0.4 #05BRO/CUR + delta_h -1.98 #kJ/mol +# Enthalpy of formation: -2970.800 kJ/mol 05BRO/CUR + -analytic 53.11889E-3 00E+0 10.34226E+1 00E+0 00E+0 + +- 15 H+ + 4 Zr+4 + 15 H2O = Zr4(OH)15+ + log_k 12.58 #05BRO/CUR + -analytic 12.58E+0 00E+0 00E+0 00E+0 00E+0 + +- 16 H+ + 4 Zr+4 + 16 H2O = Zr4(OH)16 + log_k 8.39 #05BRO/CUR + delta_h 301.12 #kJ/mol +# Enthalpy of formation: -6706.160 kJ/mol 05BRO/CUR + -analytic 61.14396E+0 00E+0 -15.72859E+3 00E+0 00E+0 + +Cl- + Zr+4 = ZrCl+3 + log_k 1.59 #05BRO/CUR + -analytic 15.9E-1 00E+0 00E+0 00E+0 00E+0 + +2 Cl- + Zr+4 = ZrCl2+2 + log_k 2.17 #05BRO/CUR + -analytic 21.7E-1 00E+0 00E+0 00E+0 00E+0 + +F- + Zr+4 = ZrF+3 + log_k 10.12 #05BRO/CUR + delta_h -17.5 #kJ/mol 05BRO/CUR +# Enthalpy of formation: -961.350 kJ/mol + -analytic 70.54132E-1 00E+0 91.40887E+1 00E+0 00E+0 + +2 F- + Zr+4 = ZrF2+2 + log_k 18.55 #05BRO/CUR + delta_h -16.8 #kJ/mol 05BRO/CUR +# Enthalpy of formation: -1296.000 kJ/mol + -analytic 15.60677E+0 00E+0 87.75251E+1 00E+0 00E+0 + +3 F- + Zr+4 = ZrF3+ + log_k 24.72 #05BRO/CUR + delta_h -11.2 #kJ/mol 05BRO/CUR +# Enthalpy of formation: -1625.750 kJ/mol + -analytic 22.75784E+0 00E+0 58.50167E+1 00E+0 00E+0 + +4 F- + Zr+4 = ZrF4 + log_k 30.11 #05BRO/CUR + delta_h -22 #kJ/mol 05BRO/CUR +# Enthalpy of formation: -1971.900 kJ/mol + -analytic 26.25577E+0 00E+0 11.4914E+2 00E+0 00E+0 + +5 F- + Zr+4 = ZrF5- + log_k 34.6 #05BRO/CUR + -analytic 34.6E+0 00E+0 00E+0 00E+0 00E+0 + +6 F- + Zr+4 = ZrF6-2 + log_k 38.11 #05BRO/CUR + -analytic 38.11E+0 00E+0 00E+0 00E+0 00E+0 + +NO3- + Zr+4 = ZrNO3+3 + log_k 1.59 #05BRO/CUR + -analytic 15.9E-1 00E+0 00E+0 00E+0 00E+0 + +SO4-2 + Zr+4 = ZrSO4+2 + log_k 7.04 #05BRO/CUR + delta_h 36.94 #kJ/mol +# Enthalpy of formation: -1480.900 kJ/mol 05BRO/CUR + -analytic 13.51161E+0 00E+0 -19.29511E+2 00E+0 00E+0 +PHASES +(HgOH)3PO4(s) +(HgOH)3PO4 = -5 H+ + H2(PO4)- + 3 H2O + 3 Hg+2 + log_k -3.8 #05POW/BRO + -analytic -38E-1 00E+0 00E+0 00E+0 00E+0 -PHASES +(NH4)4NpO2(CO3)3(cr) +(NH4)4NpO2(CO3)3 = NpO2+2 + 4 H+ + 3 CO3-2 + 4 NH3 + log_k -64.3 #20GRE/GAO + -analytic -64.3E+0 00E+0 00E+0 00E+0 00E+0 + +(PuO2)3(PO4)2:4H2O(am) +(PuO2)3(PO4)2:4H2O = 3 PuO2+2 - 4 H+ + 2 H2(PO4)- + 4 H2O + log_k -9.85 #20GRE/GAO + -analytic -98.5E-1 00E+0 00E+0 00E+0 00E+0 (UO2)2(As2O7)(cr) -(UO2)2(As2O7) = 2.000UO2+2 + 2.000H+ + 2.000AsO4-3 - 1.000H2O - log_k -29.010 - delta_h -102.450 #kJ/mol - # Enthalpy of formation: -3426 #kJ/mol #92GRE/FUG - -analytic -4.69584E+1 0E+0 5.35133E+3 0E+0 0E+0 +(UO2)2(As2O7) = 2 UO2+2 + 2 H+ + 2 AsO4-3 - H2O + log_k -29.01 + delta_h -102.45 #kJ/mol +# Enthalpy of formation: -3426.000 kJ/mol 92GRE/FUG + -analytic -46.95847E+0 00E+0 53.51336E+2 00E+0 00E+0 (UO2)3(AsO4)2(cr) -(UO2)3(AsO4)2 = 3.000UO2+2 + 2.000AsO4-3 - log_k -27.400 - delta_h -143.880 #kJ/mol - # Enthalpy of formation: -4689.4 #kJ/mol #92GRE/FUG - -analytic -5.26067E+1 0E+0 7.51536E+3 0E+0 0E+0 +(UO2)3(AsO4)2 = 3 UO2+2 + 2 AsO4-3 + log_k -27.4 + delta_h -143.88 #kJ/mol +# Enthalpy of formation: -4689.400 kJ/mol 92GRE/FUG + -analytic -52.60669E+0 00E+0 75.15376E+2 00E+0 00E+0 (UO2)3(PO4)2(cr) -(UO2)3(PO4)2 = 3.000UO2+2 - 4.000H+ + 2.000H2(PO4)- - log_k 2.800 - delta_h -170.900 #kJ/mol - # Enthalpy of formation: -5491.3 #kJ/mol #92GRE/FUG - -analytic -2.71404E+1 0E+0 8.92672E+3 0E+0 0E+0 +(UO2)3(PO4)2 = 3 UO2+2 - 4 H+ + 2 H2(PO4)- + log_k 2.8 + delta_h -170.9 #kJ/mol +# Enthalpy of formation: -5491.300 kJ/mol 92GRE/FUG + -analytic -27.14039E+0 00E+0 89.26729E+2 00E+0 00E+0 (UO2)3(PO4)2:4H2O(cr) -(UO2)3(PO4)2:4H2O = 3.000UO2+2 - 4.000H+ + 2.000H2(PO4)- + 4.000H2O - log_k -14.150 #92SAN/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.415E+1 0E+0 0E+0 0E+0 0E+0 +(UO2)3(PO4)2:4H2O = 3 UO2+2 - 4 H+ + 2 H2(PO4)- + 4 H2O + log_k -10.24 #20GRE/GAO + -analytic -10.24E+0 00E+0 00E+0 00E+0 00E+0 (UO2)3(PO4)2:6H2O(s) -(UO2)3(PO4)2:6H2O = 3.000UO2+2 - 4.000H+ + 2.000H2(PO4)- + 6.000H2O - log_k -10.200 - delta_h -48.780 #kJ/mol - # Enthalpy of formation: -7328.4 #kJ/mol #03GUI/FAN - -analytic -1.87459E+1 0E+0 2.54795E+3 0E+0 0E+0 +(UO2)3(PO4)2:6H2O = 3 UO2+2 - 4 H+ + 2 H2(PO4)- + 6 H2O + log_k -10.2 + delta_h -48.78 #kJ/mol +# Enthalpy of formation: -7328.400 kJ/mol 03GUI/FAN + -analytic -18.74589E+0 00E+0 25.47957E+2 00E+0 00E+0 Acanthite -Ag2S = 2.000Ag+ - 1.000H+ + 1.000HS- - log_k -36.070 - delta_h 224.768 #kJ/mol - # Enthalpy of formation: -29.488 #kJ/mol - -analytic 3.30761E+0 0E+0 -1.17404E+4 0E+0 0E+0 +Ag2S = 2 Ag+ - H+ + HS- + log_k -36.07 + delta_h 224.768 #kJ/mol +# Enthalpy of formation: -29.488 kJ/mol + -analytic 33.07663E-1 00E+0 -11.74045E+3 00E+0 00E+0 Acmite -NaFeSi2O6 = 1.000Na+ + 1.000Fe+3 - 4.000H+ + 2.000H4(SiO4) - 2.000H2O - log_k 0.920 - delta_h -55.568 #kJ/mol - # Enthalpy of formation: -2584.5 #kJ/mol #95ROB/HEM - -analytic -8.81508E+0 0E+0 2.90251E+3 0E+0 0E+0 +NaFeSi2O6 = Na+ + Fe+3 - 4 H+ + 2 H4(SiO4) - 2 H2O + log_k 0.89 + delta_h -56.624 #kJ/mol +# Enthalpy of formation: -2584.500 kJ/mol 95ROB/HEM + -analytic -90.30099E-1 00E+0 29.57678E+2 00E+0 00E+0 + -Vm 64.6 Afwillite -Ca3Si2O4(OH)6 = 3.000Ca+2 - 6.000H+ + 2.000H4(SiO4) + 2.000H2O - log_k 49.420 #10BLA/BOU1 - delta_h -269.228 #kJ/mol - # Enthalpy of formation: -4853.82 #kJ/mol #10BLA/BOU1 - -analytic 2.25335E+0 0E+0 1.40627E+4 0E+0 0E+0 +Ca3Si2O4(OH)6 = 3 Ca+2 - 6 H+ + 2 H4(SiO4) + 2 H2O + log_k 49.42 #10BLA/BOU1 + delta_h -269.228 #kJ/mol +# Enthalpy of formation: -4853.820 kJ/mol 10BLA/BOU1 + -analytic 22.53279E-1 00E+0 14.06276E+3 00E+0 00E+0 + -Vm 129.53 + +Ag(cr) +Ag = Ag+ + e- + log_k -13.51 + delta_h 105.79 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 95SIL/BID + -analytic 50.23612E-1 00E+0 -55.25797E+2 00E+0 00E+0 Ag(OH)(s) -Ag(OH) = 1.000Ag+ - 1.000H+ + 1.000H2O - log_k 6.300 #76BAE/MES - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.3E+0 0E+0 0E+0 0E+0 0E+0 - -Ag(SeCn)(cr) -Ag(SeCn) = 1.000Ag+ + 1.000H+ + 1.000Cn- + 1.000HSe- - 1.000H2O + 0.500O2 - log_k -70.020 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -7.002E+1 0E+0 0E+0 0E+0 0E+0 - -Ag(s) -Ag = 1.000Ag+ + 0.500H2O - 1.000H+ - 0.250O2 - log_k 7.985 - delta_h -34.092 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #95SIL/BID - -analytic 2.01243E+0 0E+0 1.78072E+3 0E+0 0E+0 +Ag(OH) = Ag+ - H+ + H2O + log_k 6.3 #76BAE/MES + -analytic 63E-1 00E+0 00E+0 00E+0 00E+0 Ag2(CO3)(s) -Ag2(CO3) = 2.000Ag+ + 1.000CO3-2 - log_k -11.050 - delta_h 42.073 #kJ/mol - # Enthalpy of formation: -505.723 #kJ/mol - -analytic -3.67914E+0 0E+0 -2.19762E+3 0E+0 0E+0 +Ag2(CO3) = 2 Ag+ + CO3-2 + log_k -11.05 + delta_h 42.072 #kJ/mol +# Enthalpy of formation: -505.723 kJ/mol + -analytic -36.79302E-1 00E+0 -21.97574E+2 00E+0 00E+0 Ag2(MoO4)(s) -Ag2(MoO4) = 2.000Ag+ + 1.000MoO4-2 - log_k -11.460 - delta_h 55.354 #kJ/mol - # Enthalpy of formation: -840.774 #kJ/mol - -analytic -1.76241E+0 0E+0 -2.89134E+3 0E+0 0E+0 - -Ag2(SO4)(s) -Ag2(SO4) = 2.000Ag+ + 1.000SO4-2 - log_k -5.010 - delta_h 18.162 #kJ/mol - # Enthalpy of formation: -715.922 #kJ/mol - -analytic -1.82816E+0 0E+0 -9.48666E+2 0E+0 0E+0 +Ag2(MoO4) = 2 Ag+ + MoO4-2 + log_k -11.46 + delta_h 55.324 #kJ/mol +# Enthalpy of formation: -840.744 kJ/mol + -analytic -17.67651E-1 00E+0 -28.89774E+2 00E+0 00E+0 Ag2(SeO3)(s) -Ag2(SeO3) = 2.000Ag+ + 1.000SeO3-2 - log_k -15.800 #05OLI/NOL - delta_h 67.860 #kJ/mol - # Enthalpy of formation: -363.44 #kJ/mol #05OLI/NOL - -analytic -3.91146E+0 0E+0 -3.54457E+3 0E+0 0E+0 +Ag2(SeO3) = 2 Ag+ + SeO3-2 + log_k -15.8 #05OLI/NOL + delta_h 67.86 #kJ/mol +# Enthalpy of formation: -363.440 kJ/mol 05OLI/NOL + -analytic -39.11438E-1 00E+0 -35.44575E+2 00E+0 00E+0 Ag2(SeO4)(s) -Ag2(SeO4) = 2.000Ag+ + 1.000SeO4-2 - log_k -7.860 #05OLI/NOL - delta_h 30.590 #kJ/mol - # Enthalpy of formation: -422.51 #kJ/mol #05OLI/NOL - -analytic -2.50087E+0 0E+0 -1.59782E+3 0E+0 0E+0 +Ag2(SeO4) = 2 Ag+ + SeO4-2 + log_k -7.86 #05OLI/NOL + delta_h 30.59 #kJ/mol +# Enthalpy of formation: -422.510 kJ/mol 05OLI/NOL + -analytic -25.00862E-1 00E+0 -15.97827E+2 00E+0 00E+0 + +Ag2(SO4)(s) +Ag2(SO4) = 2 Ag+ + SO4-2 + log_k -5.01 + delta_h 18.163 #kJ/mol +# Enthalpy of formation: -715.922 kJ/mol + -analytic -18.27979E-1 00E+0 -94.87196E+1 00E+0 00E+0 Ag2Se(alfa) -Ag2Se = 2.000Ag+ - 1.000H+ + 1.000HSe- - log_k -42.850 - delta_h 266.009 #kJ/mol - # Enthalpy of formation: -40.129 #kJ/mol - -analytic 3.75271E+0 0E+0 -1.38946E+4 0E+0 0E+0 +Ag2Se = 2 Ag+ - H+ + HSe- + log_k -42.85 + delta_h 266.009 #kJ/mol +# Enthalpy of formation: -40.129 kJ/mol + -analytic 37.52776E-1 00E+0 -13.89462E+3 00E+0 00E+0 Ag3(PO4)(s) -Ag3(PO4) = 3.000Ag+ - 2.000H+ + 1.000H2(PO4)- - log_k 2.010 #03BÖT in 76SMI/MAR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.01E+0 0E+0 0E+0 0E+0 0E+0 +Ag3(PO4) = 3 Ag+ - 2 H+ + H2(PO4)- + log_k 2.01 #03BÖT in 76SMI/MAR + -analytic 20.1E-1 00E+0 00E+0 00E+0 00E+0 AgBr(s) -AgBr = 1.000Ag+ + 1.000Br- - log_k -12.290 - delta_h 84.725 #kJ/mol - # Enthalpy of formation: -100.345 #kJ/mol - -analytic 2.55316E+0 0E+0 -4.42549E+3 0E+0 0E+0 +AgBr = Ag+ + Br- + log_k -12.29 + delta_h 84.726 #kJ/mol +# Enthalpy of formation: -100.345 kJ/mol + -analytic 25.53358E-1 00E+0 -44.25547E+2 00E+0 00E+0 AgCl(cr) -AgCl = 1.000Ag+ + 1.000Cl- - log_k -9.750 - delta_h 65.720 #kJ/mol - # Enthalpy of formation: -127.01 #kJ/mol #92GRE/FUG - -analytic 1.76363E+0 0E+0 -3.43279E+3 0E+0 0E+0 +AgCl = Ag+ + Cl- + log_k -9.75 + delta_h 65.72 #kJ/mol +# Enthalpy of formation: -127.010 kJ/mol 92GRE/FUG + -analytic 17.6365E-1 00E+0 -34.32795E+2 00E+0 00E+0 AgI(s) -AgI = 1.000Ag+ + 1.000I- - log_k -16.040 - delta_h 110.764 #kJ/mol - # Enthalpy of formation: -61.754 #kJ/mol - -analytic 3.36499E+0 0E+0 -5.7856E+3 0E+0 0E+0 +AgI = Ag+ + I- + log_k -16.04 + delta_h 110.764 #kJ/mol +# Enthalpy of formation: -61.754 kJ/mol + -analytic 33.6502E-1 00E+0 -57.85607E+2 00E+0 00E+0 + +Al(cr) +Al = Al+3 + 3 e- + log_k 85.43 + delta_h -538.4 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 95POK/HEL + -analytic -88.93631E-1 00E+0 28.12259E+3 00E+0 00E+0 Al(PO4)(cr) -Al(PO4) = 1.000Al+3 - 2.000H+ + 1.000H2(PO4)- - log_k -2.940 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: -1822.8 #kJ/mol - -analytic -2.94E+0 0E+0 0E+0 0E+0 0E+0 +Al(PO4) = Al+3 - 2 H+ + H2(PO4)- + log_k -3.62 + delta_h -18.2 #kJ/mol +# Enthalpy of formation: -1822.800 kJ/mol 03-91 MINTEQL-PSI + -analytic -68.08503E-1 00E+0 95.06522E+1 00E+0 00E+0 Al(PO4):2H2O(s) -Al(PO4):2H2O = 1.000Al+3 - 2.000H+ + 1.000H2(PO4)- + 2.000H2O - log_k -2.510 #620BRG91.025 ANDRA 21.10.94 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.51E+0 0E+0 0E+0 0E+0 0E+0 - -Al(s) -Al = 1.000Al+3 + 1.500H2O - 3.000H+ - 0.750O2 - log_k 149.915 - delta_h -958.045 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #95POK/HEL - -analytic -1.79269E+1 0E+0 5.00421E+4 0E+0 0E+0 - -Al2(OH)(PO4)2(s) -Al2(OH)(PO4)2 = 2.000Al+3 - 4.000H+ + 2.000H2(PO4)- + 0.500H2O + 0.250O2 - log_k -37.375 #620BRG91.025 ANDRA 21.10.94 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.7375E+1 0E+0 0E+0 0E+0 0E+0 +Al(PO4):2H2O = Al+3 - 2 H+ + H2(PO4)- + 2 H2O + log_k -2.51 #620BRG91.025 ANDRA 21.10.94 + -analytic -25.1E-1 00E+0 00E+0 00E+0 00E+0 Alabandite -MnS = 1.000Mn+2 - 1.000H+ + 1.000HS- - log_k 0.900 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9E-1 0E+0 0E+0 0E+0 0E+0 +MnS = Mn+2 - H+ + HS- + log_k 0.9 #88CHA/NEW + -analytic 90E-2 00E+0 00E+0 00E+0 00E+0 Alamosite -PbSiO3 = 1.000Pb+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O - log_k 6.170 - delta_h -29.451 #kJ/mol - # Enthalpy of formation: -1144.993 #kJ/mol #98CHA - -analytic 1.01041E+0 0E+0 1.53833E+3 0E+0 0E+0 +PbSiO3 = Pb+2 - 2 H+ + H4(SiO4) - H2O + log_k 6.17 + delta_h -29.451 #kJ/mol +# Enthalpy of formation: -1144.993 kJ/mol 98CHA + -analytic 10.10406E-1 00E+0 15.38333E+2 00E+0 00E+0 Albite-high -NaAlSi3O8 = 1.000Na+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 4.000H2O - log_k 4.140 - delta_h -95.623 #kJ/mol - # Enthalpy of formation: -3923.38 #kJ/mol #99ARN/STE - -analytic -1.26124E+1 0E+0 4.99473E+3 0E+0 0E+0 +NaAlSi3O8 = Na+ + Al+3 - 4 H+ + 3 H4(SiO4) - 4 H2O + log_k 4.14 + delta_h -95.622 #kJ/mol +# Enthalpy of formation: -3923.380 kJ/mol 99ARN/STE + -analytic -12.61226E+0 00E+0 49.94685E+2 00E+0 00E+0 Albite-low -NaAlSi3O8 = 1.000Na+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 4.000H2O - log_k 2.740 - delta_h -82.813 #kJ/mol - # Enthalpy of formation: -3936.19 #kJ/mol #99ARN/STE - -analytic -1.17682E+1 0E+0 4.32562E+3 0E+0 0E+0 - -Am(CO3)(OH)(am) -Am(CO3)(OH) = - 1.000H+ + 1.000Am+3 + 1.000CO3-2 + 1.000H2O - log_k -6.200 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.2E+0 0E+0 0E+0 0E+0 0E+0 - -Am(CO3)(OH)(cr) -Am(CO3)(OH) = - 1.000H+ + 1.000Am+3 + 1.000CO3-2 + 1.000H2O - log_k -11.510 - delta_h -25.260 #kJ/mol - # Enthalpy of formation: -1552.5 #kJ/mol #05ROR/FUG - -analytic -1.59354E+1 0E+0 1.31942E+3 0E+0 0E+0 - -Am(CO3)(OH):0.5H2O(cr) -Am(CO3)(OH):0.5H2O = - 1.000H+ + 1.000Am+3 + 1.000CO3-2 + 1.500H2O - log_k -8.400 #03GUI/FAN - delta_h -37.775 #kJ/mol - # Enthalpy of formation: -1682.9 #kJ/mol #03GUI/FAN - -analytic -1.50179E+1 0E+0 1.97312E+3 0E+0 0E+0 - -Am(CO3)2Na:5H2O(s) -Am(CO3)2Na:5H2O = 1.000Na+ + 1.000Am+3 + 2.000CO3-2 + 5.000H2O - log_k -21.000 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.1E+1 0E+0 0E+0 0E+0 0E+0 +NaAlSi3O8 = Na+ + Al+3 - 4 H+ + 3 H4(SiO4) - 4 H2O + log_k 2.74 + delta_h -82.812 #kJ/mol +# Enthalpy of formation: -3936.190 kJ/mol 99ARN/STE + -analytic -11.76804E+0 00E+0 43.25572E+2 00E+0 00E+0 + -Vm 100.07 + +Am(cr) +Am = Am+3 + 3 e- + log_k 104.89 + delta_h -616.7 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 95SIL/BID + -analytic -31.51202E-1 00E+0 32.21248E+3 00E+0 00E+0 Am(OH)3(am) -Am(OH)3 = - 3.000H+ + 1.000Am+3 + 3.000H2O - log_k 16.900 #03GUI/FAN, 83RAI/STR, 83EDE/BUC, 85NIT/EDE - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.69E+1 0E+0 0E+0 0E+0 0E+0 +Am(OH)3 = -3 H+ + Am+3 + 3 H2O + log_k 16.9 #03GUI/FAN, 83RAI/STR, 83EDE/BUC, 85NIT/EDE + -analytic 16.9E+0 00E+0 00E+0 00E+0 00E+0 Am(OH)3(cr) -Am(OH)3 = - 3.000H+ + 1.000Am+3 + 3.000H2O - log_k 15.600 #03GUI/FAN, 82SIL, 88STA/KIM1 - delta_h -120.992 #kJ/mol - # Enthalpy of formation: -1353.2 #kJ/mol - -analytic -5.59686E+0 0E+0 6.31984E+3 0E+0 0E+0 - -Am(PO4):xH2O(am) -Am(PO4) = - 2.000H+ + 1.000Am+3 + 1.000H2(PO4)- - log_k -5.230 #95SIL/BID - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.23E+0 0E+0 0E+0 0E+0 0E+0 - -Am(cr) -Am = 1.000Am+3 + 1.500H2O - 3.000H+ - 0.750O2 - log_k 169.375 - delta_h -1036.345 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #95SIL/BID - -analytic -1.21845E+1 0E+0 5.4132E+4 0E+0 0E+0 - -Am2(CO3)3(cr) -Am2(CO3)3 = 2.000Am+3 + 3.000CO3-2 - log_k -33.400 #95SIL/BID - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.34E+1 0E+0 0E+0 0E+0 0E+0 +Am(OH)3 = -3 H+ + Am+3 + 3 H2O + log_k 15.6 #03GUI/FAN, 82SIL, 88STA/KIM1 + delta_h -120.992 #kJ/mol +# Enthalpy of formation: -1353.198 kJ/mol + -analytic -55.96889E-1 00E+0 63.19852E+2 00E+0 00E+0 + +Am(PO4):0.5H2O(am) +Am(PO4):0.5H2O = -2 H+ + Am+3 + H2(PO4)- + 0.5 H2O + log_k -5.23 #95SIL/BID + -analytic -52.3E-1 00E+0 00E+0 00E+0 00E+0 + +Am2(CO3)3(s) +Am2(CO3)3 = 2 Am+3 + 3 CO3-2 + log_k -33.4 #03GUI/FAN + -analytic -33.4E+0 00E+0 00E+0 00E+0 00E+0 Am2O3(cr) -Am2O3 = - 6.000H+ + 2.000Am+3 + 3.000H2O - log_k 53.150 - delta_h -400.490 #kJ/mol - # Enthalpy of formation: -1690.4 #kJ/mol #95SIL/BID - -analytic -1.70127E+1 0E+0 2.0919E+4 0E+0 0E+0 +Am2O3 = -6 H+ + 2 Am+3 + 3 H2O + log_k 53.12 + delta_h -400.49 #kJ/mol +# Enthalpy of formation: -1690.400 kJ/mol 95SIL/BID + -analytic -17.04284E+0 00E+0 20.91905E+3 00E+0 00E+0 AmBr3(cr) -AmBr3 = 1.000Am+3 + 3.000Br- - log_k 23.930 - delta_h -176.930 #kJ/mol - # Enthalpy of formation: -804 #kJ/mol #03GUI/FAN - -analytic -7.06676E+0 0E+0 9.24168E+3 0E+0 0E+0 +AmBr3 = Am+3 + 3 Br- + log_k 23.93 + delta_h -176.93 #kJ/mol +# Enthalpy of formation: -804.000 kJ/mol 03GUI/FAN + -analytic -70.66805E-1 00E+0 92.41698E+2 00E+0 00E+0 AmCl3(cr) -AmCl3 = 1.000Am+3 + 3.000Cl- - log_k 15.280 - delta_h -140.140 #kJ/mol - # Enthalpy of formation: -977.8 #kJ/mol #95SIL/BID - -analytic -9.27144E+0 0E+0 7.32001E+3 0E+0 0E+0 +AmCl3 = Am+3 + 3 Cl- + log_k 15.29 + delta_h -140.14 #kJ/mol +# Enthalpy of formation: -977.800 kJ/mol 95SIL/BID + -analytic -92.61474E-1 00E+0 73.20022E+2 00E+0 00E+0 AmCl6Cs2Na(cr) -AmCl6Cs2Na = 1.000Na+ + 2.000Cs+ + 1.000Am+3 + 6.000Cl- - log_k 12.560 - delta_h -59.720 #kJ/mol - # Enthalpy of formation: -2315.8 #kJ/mol #03GUI/FAN - -analytic 2.09752E+0 0E+0 3.11939E+3 0E+0 0E+0 +AmCl6Cs2Na = Na+ + 2 Cs+ + Am+3 + 6 Cl- + log_k 12.56 + delta_h -59.72 #kJ/mol +# Enthalpy of formation: -2315.800 kJ/mol 03GUI/FAN + -analytic 20.97505E-1 00E+0 31.19393E+2 00E+0 00E+0 + +AmCO3OH(cr) +Am(CO3)(OH) = - H+ + Am+3 + CO3-2 + H2O + log_k -11.51 + delta_h -25.26 #kJ/mol +# Enthalpy of formation: -1552.500 kJ/mol 05ROR/FUG + -analytic -15.93536E+0 00E+0 13.19422E+2 00E+0 00E+0 + +AmCO3OH(s) +Am(CO3)(OH) = - H+ + Am+3 + CO3-2 + H2O + log_k -6.2 #03GUI/FAN + -analytic -62E-1 00E+0 00E+0 00E+0 00E+0 + +AmCO3OH:0.5H2O(s) +Am(CO3)(OH):0.5H2O = - H+ + Am+3 + CO3-2 + 1.5 H2O + log_k -8.4 #03GUI/FAN + delta_h -37.775 #kJ/mol +# Enthalpy of formation: -1682.900 kJ/mol 03GUI/FAN + -analytic -15.0179E+0 00E+0 19.73126E+2 00E+0 00E+0 + +Amesite +Mg4Al4Si2O10(OH)8 = 4 Mg+2 + 4 Al+3 - 20 H+ + 2 H4(SiO4) + 10 H2O + log_k 69.39 + delta_h -766.388 #kJ/mol +# Enthalpy of formation: -9035.900 kJ/mol 05VID/PAR + -analytic -64.87541E+0 00E+0 40.03123E+3 00E+0 00E+0 + -Vm 205.2 + +Amesite-Fe +Fe4Al4Si2O10(OH)8 = 4 Fe+2 + 4 Al+3 - 20 H+ + 2 H4(SiO4) + 10 H2O + log_k 57.1 + delta_h -688.008 #kJ/mol +# Enthalpy of formation: -7607.460 kJ/mol 05VID/PAR + -analytic -63.43383E+0 00E+0 35.93716E+3 00E+0 00E+0 + -Vm 209 AmF3(cr) -AmF3 = 1.000Am+3 + 3.000F- - log_k -13.400 - delta_h -28.750 #kJ/mol - # Enthalpy of formation: -1594 #kJ/mol #03GUI/FAN - -analytic -1.84368E+1 0E+0 1.50171E+3 0E+0 0E+0 +AmF3 = Am+3 + 3 F- + log_k -13.4 + delta_h -28.75 #kJ/mol +# Enthalpy of formation: -1594.000 kJ/mol 03GUI/FAN + -analytic -18.43678E+0 00E+0 15.01717E+2 00E+0 00E+0 AmI3(cr) -AmI3 = 1.000Am+3 + 3.000I- - log_k 25.300 - delta_h -172.040 #kJ/mol - # Enthalpy of formation: -615 #kJ/mol #03GUI/FAN - -analytic -4.84007E+0 0E+0 8.98626E+3 0E+0 0E+0 +AmI3 = Am+3 + 3 I- + log_k 25.3 + delta_h -172.04 #kJ/mol +# Enthalpy of formation: -615.000 kJ/mol 03GUI/FAN + -analytic -48.40114E-1 00E+0 89.86275E+2 00E+0 00E+0 AmO2(cr) -AmO2 = - 3.000H+ + 1.000Am+3 + 1.500H2O + 0.250O2 - log_k 12.715 - delta_h -116.279 #kJ/mol - # Enthalpy of formation: -932.2 #kJ/mol #95SIL/BID - -analytic -7.65609E+0 0E+0 6.07364E+3 0E+0 0E+0 +AmO2 = -4 H+ + Am+3 - e- + 2 H2O + log_k 34.33 + delta_h -256.16 #kJ/mol +# Enthalpy of formation: -932.200 kJ/mol 95SIL/BID + -analytic -10.54731E+0 00E+0 13.38017E+3 00E+0 00E+0 AmO2OH(am) -AmO2OH = - 1.000H+ + 1.000AmO2+ + 1.000H2O - log_k 5.300 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.3E+0 0E+0 0E+0 0E+0 0E+0 +AmO2OH = - H+ + AmO2+ + H2O + log_k 5.3 #03GUI/FAN + -analytic 53E-1 00E+0 00E+0 00E+0 00E+0 AmOBr(cr) -AmOBr = - 2.000H+ + 1.000Am+3 + 1.000Br- + 1.000H2O - log_k 15.980 - delta_h -136.940 #kJ/mol - # Enthalpy of formation: -887 #kJ/mol #03GUI/FAN - -analytic -8.01082E+0 0E+0 7.15286E+3 0E+0 0E+0 +AmOBr = -2 H+ + Am+3 + Br- + H2O + log_k 15.98 + delta_h -136.94 #kJ/mol +# Enthalpy of formation: -887.000 kJ/mol 03GUI/FAN + -analytic -80.10858E-1 00E+0 71.52874E+2 00E+0 00E+0 AmOCl(cr) -AmOCl = - 2.000H+ + 1.000Am+3 + 1.000Cl- + 1.000H2O - log_k 12.260 - delta_h -119.810 #kJ/mol - # Enthalpy of formation: -949.8 #kJ/mol #95SIL/BID - -analytic -8.72978E+0 0E+0 6.2581E+3 0E+0 0E+0 - -Amesite -Mg4Al4Si2O10(OH)8 = 4.000Mg+2 + 4.000Al+3 - 20.000H+ + 2.000H4(SiO4) + 10.000H2O - log_k 69.420 - delta_h -766.388 #kJ/mol - # Enthalpy of formation: -9035.9 #kJ/mol #05VID/PAR - -analytic -6.48452E+1 0E+0 4.00312E+4 0E+0 0E+0 - -Amesite-Fe -Fe4Al4Si2O10(OH)8 = 4.000Fe+2 + 4.000Al+3 - 20.000H+ + 2.000H4(SiO4) + 10.000H2O - log_k 57.040 - delta_h -686.828 #kJ/mol - # Enthalpy of formation: -7607.46 #kJ/mol #05VID/PAR - -analytic -6.32869E+1 0E+0 3.58755E+4 0E+0 0E+0 +AmOCl = -2 H+ + Am+3 + Cl- + H2O + log_k 12.26 + delta_h -119.81 #kJ/mol +# Enthalpy of formation: -949.800 kJ/mol 95SIL/BID + -analytic -87.29811E-1 00E+0 62.58112E+2 00E+0 00E+0 Analcime -Na0.99Al0.99Si2.01O6:H2O = 0.990Na+ + 0.990Al+3 - 3.960H+ + 2.010H4(SiO4) - 1.040H2O - log_k 6.650 - delta_h -102.689 #kJ/mol - # Enthalpy of formation: -3308 #kJ/mol #04NEU/HOV - -analytic -1.13403E+1 0E+0 5.36381E+3 0E+0 0E+0 - -Anapaite -Ca2Fe(PO4)2:4H2O = 2.000Ca+2 + 1.000Fe+2 - 4.000H+ + 2.000H2(PO4)- + 4.000H2O - log_k 5.020 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.02E+0 0E+0 0E+0 0E+0 0E+0 +Na0.99Al0.99Si2.01O6:H2O = 0.99 Na+ + 0.99 Al+3 - 3.96 H+ + 2.01 H4(SiO4) - 1.04 H2O + log_k 6.64 + delta_h -102.689 #kJ/mol +# Enthalpy of formation: -3308.000 kJ/mol 04NEU/HOV + -analytic -11.35034E+0 00E+0 53.6382E+2 00E+0 00E+0 + -Vm 97.09 + +Andersonite +Na2CaUO2(CO3)3:6H2O = Ca+2 + 2 Na+ + UO2+2 + 3 CO3-2 + 6 H2O + log_k -31.8 #19LEE/AMA + -analytic -31.8E+0 00E+0 00E+0 00E+0 00E+0 Anglesite -Pb(SO4) = 1.000Pb+2 + 1.000SO4-2 - log_k -7.850 - delta_h 11.550 #kJ/mol - # Enthalpy of formation: -919.97 #kJ/mol #89COX/WAG - -analytic -5.82653E+0 0E+0 -6.03298E+2 0E+0 0E+0 +Pb(SO4) = Pb+2 + SO4-2 + log_k -7.85 + delta_h 11.55 #kJ/mol +# Enthalpy of formation: -919.970 kJ/mol 89COX/WAG + -analytic -58.26527E-1 00E+0 -60.32985E+1 00E+0 00E+0 Anhydrite -Ca(SO4) = 1.000Ca+2 + 1.000SO4-2 - log_k -4.440 - delta_h -17.940 #kJ/mol - # Enthalpy of formation: -1434.4 #kJ/mol #95ROB/HEM - -analytic -7.58295E+0 0E+0 9.3707E+2 0E+0 0E+0 +Ca(SO4) = Ca+2 + SO4-2 + log_k -4.44 + delta_h -17.94 #kJ/mol +# Enthalpy of formation: -1434.400 kJ/mol 95ROB/HEM + -analytic -75.82953E-1 00E+0 93.70715E+1 00E+0 00E+0 + -Vm 46.01 Annite -KFe3Si3AlO10(OH)2 = 1.000K+ + 3.000Fe+2 + 1.000Al+3 - 10.000H+ + 3.000H4(SiO4) - log_k 32.770 - delta_h -313.152 #kJ/mol - # Enthalpy of formation: -5130.97 #kJ/mol #95DAC/BEN - -analytic -2.20918E+1 0E+0 1.6357E+4 0E+0 0E+0 +KFe3Si3AlO10(OH)2 = K+ + 3 Fe+2 + Al+3 - 10 H+ + 3 H4(SiO4) + log_k 32.82 + delta_h -314.037 #kJ/mol +# Enthalpy of formation: -5130.970 kJ/mol 95DAC/BEN + -analytic -22.19692E+0 00E+0 16.40329E+3 00E+0 00E+0 + -Vm 154.3 Anorthite -CaAl2Si2O8 = 1.000Ca+2 + 2.000Al+3 - 8.000H+ + 2.000H4(SiO4) - log_k 25.310 - delta_h -314.358 #kJ/mol - # Enthalpy of formation: -4227.83 #kJ/mol #99ARN/STE - -analytic -2.97631E+1 0E+0 1.642E+4 0E+0 0E+0 +CaAl2Si2O8 = Ca+2 + 2 Al+3 - 8 H+ + 2 H4(SiO4) + log_k 25.31 + delta_h -314.358 #kJ/mol +# Enthalpy of formation: -4227.830 kJ/mol 99ARN/STE + -analytic -29.76316E+0 00E+0 16.42006E+3 00E+0 00E+0 Antarcticite -CaCl2:6H2O = 1.000Ca+2 + 2.000Cl- + 6.000H2O - log_k 3.940 - delta_h 13.990 #kJ/mol - # Enthalpy of formation: -2606.13 #kJ/mol #87GAR/PAR - -analytic 6.39094E+0 0E+0 -7.30748E+2 0E+0 0E+0 +CaCl2:6H2O = Ca+2 + 2 Cl- + 6 H2O + log_k 3.94 + delta_h 13.99 #kJ/mol +# Enthalpy of formation: -2606.130 kJ/mol 87GAR/PAR + -analytic 63.90943E-1 00E+0 -73.07486E+1 00E+0 00E+0 Antigorite -Mg48Si34O85(OH)62 = 48.000Mg+2 - 96.000H+ + 34.000H4(SiO4) + 11.000H2O - log_k 500.160 - delta_h -3822.746 #kJ/mol - # Enthalpy of formation: -71417.98 #kJ/mol #98HOL/POW - -analytic -1.69555E+2 0E+0 1.99676E+5 0E+0 0E+0 +Mg48Si34O85(OH)62 = 48 Mg+2 - 96 H+ + 34 H4(SiO4) + 11 H2O + log_k 499.89 + delta_h -3822.746 #kJ/mol +# Enthalpy of formation: -71417.980kJ/mol 98HOL/POW + -analytic -16.98264E+1 00E+0 19.96759E+4 00E+0 00E+0 + -Vm 1754.8 + +Antlerite +Cu3SO4(OH)4 = 3 Cu+2 - 4 H+ + SO4-2 + 4 H2O + log_k 8.91 + delta_h -117.063 #kJ/mol +# Enthalpy of formation: -1740.896 kJ/mol + -analytic -11.59856E+0 00E+0 61.14626E+2 00E+0 00E+0 Aragonite -CaCO3 = 1.000Ca+2 + 1.000CO3-2 - log_k -8.310 - delta_h -10.454 #kJ/mol - # Enthalpy of formation: -1207.776 #kJ/mol #87GAR/PAR - -analytic -1.01415E+1 0E+0 5.4605E+2 0E+0 0E+0 +CaCO3 = Ca+2 + CO3-2 + log_k -8.31 + delta_h -10.454 #kJ/mol +# Enthalpy of formation: -1207.776 kJ/mol 87GAR/PAR + -analytic -10.14146E+0 00E+0 54.60504E+1 00E+0 00E+0 + -Vm 34.15 Arcanite -K2SO4 = 2.000K+ + 1.000SO4-2 - log_k -1.850 - delta_h 24.080 #kJ/mol - # Enthalpy of formation: -1437.7 #kJ/mol #95ROB/HEM - -analytic 2.36863E+0 0E+0 -1.25778E+3 0E+0 0E+0 +K2SO4 = 2 K+ + SO4-2 + log_k -1.85 + delta_h 24.08 #kJ/mol +# Enthalpy of formation: -1437.700 kJ/mol 95ROB/HEM + -analytic 23.68635E-1 00E+0 -12.57786E+2 00E+0 00E+0 + -Vm 65.5 Artinite -Mg2(CO3)(OH)2:3H2O = 2.000Mg+2 - 2.000H+ + 1.000CO3-2 + 5.000H2O - log_k 9.810 - delta_h -117.780 #kJ/mol - # Enthalpy of formation: -2920.6 #kJ/mol #73HEM/ROB - -analytic -1.08241E+1 0E+0 6.15207E+3 0E+0 0E+0 - -As(s) -As = 3.000H+ + 1.000AsO4-3 - 1.500H2O - 1.250O2 - log_k 54.885 - delta_h -444.228 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #09RAN/FUG - -analytic -2.29402E+1 0E+0 2.32036E+4 0E+0 0E+0 +Mg2(CO3)(OH)2:3H2O = 2 Mg+2 - 2 H+ + CO3-2 + 5 H2O + log_k 9.81 + delta_h -117.78 #kJ/mol +# Enthalpy of formation: -2920.600 kJ/mol 73HEM/ROB + -analytic -10.82417E+0 00E+0 61.52078E+2 00E+0 00E+0 + +As(cr) +As = 8 H+ + 5 e- + AsO4-3 - 4 H2O + log_k -52.59 + delta_h 255.18 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 09RAN/FUG + -analytic -78.84383E-1 00E+0 -13.32898E+3 00E+0 00E+0 As2O5(s) -As2O5 = 6.000H+ + 2.000AsO4-3 - 3.000H2O - log_k -35.340 - delta_h 10.640 #kJ/mol - # Enthalpy of formation: -929.43 #kJ/mol #65BEE/MOR - -analytic -3.3476E+1 0E+0 -5.55765E+2 0E+0 0E+0 - -B(OH)3(cr) -B(OH)3 = 1.000H+ + 1.000B(OH)4- - 1.000H2O - log_k -9.310 - delta_h 35.514 #kJ/mol - # Enthalpy of formation: -1094.8 #kJ/mol #01LEM/FUG - -analytic -3.08822E+0 0E+0 -1.85502E+3 0E+0 0E+0 +As2O5 = 6 H+ + 2 AsO4-3 - 3 H2O + log_k -35.34 + delta_h 10.64 #kJ/mol +# Enthalpy of formation: -929.430 kJ/mol 65BEE/MOR + -analytic -33.47595E+0 00E+0 -55.57659E+1 00E+0 00E+0 + +Azurite +Cu3(CO3)2(OH)2 = 3 Cu+2 - 2 H+ + 2 CO3-2 + 2 H2O + log_k -16.91 #91BAL/NOR in 07POW/BRO + delta_h -55.087 #kJ/mol +# Enthalpy of formation: -1672.333 kJ/mol + -analytic -26.56083E+0 00E+0 28.77394E+2 00E+0 00E+0 B(cr) -B = 1.000H+ + 1.000B(OH)4- - 2.500H2O - 0.750O2 - log_k 100.415 - delta_h -621.441 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #92GRE/FUG - -analytic -8.45654E+0 0E+0 3.24601E+4 0E+0 0E+0 +B = 4 H+ + 3 e- + B(OH)4- - 4 H2O + log_k 35.93 + delta_h -201.796 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 92GRE/FUG + -analytic 57.68584E-2 00E+0 10.54054E+3 00E+0 00E+0 + +B(OH)3(cr) +B(OH)3 = H+ + B(OH)4- - H2O + log_k -9.31 + delta_h 35.514 #kJ/mol +# Enthalpy of formation: -1094.800 kJ/mol 01LEM/FUG + -analytic -30.88214E-1 00E+0 -18.55025E+2 00E+0 00E+0 B2O3(am) -B2O3 = 2.000H+ + 2.000B(OH)4- - 5.000H2O - log_k -10.630 - delta_h -6.711 #kJ/mol - # Enthalpy of formation: -1254.371 #kJ/mol - -analytic -1.18057E+1 0E+0 3.50539E+2 0E+0 0E+0 +B2O3 = 2 H+ + 2 B(OH)4- - 5 H2O + log_k -10.63 + delta_h -6.712 #kJ/mol +# Enthalpy of formation: -1254.371 kJ/mol + -analytic -11.80589E+0 00E+0 35.05922E+1 00E+0 00E+0 B2O3(cr) -B2O3 = 2.000H+ + 2.000B(OH)4- - 5.000H2O - log_k -12.740 - delta_h 12.418 #kJ/mol - # Enthalpy of formation: -1273.5 #kJ/mol #01LEM/FUG - -analytic -1.05645E+1 0E+0 -6.48636E+2 0E+0 0E+0 +B2O3 = 2 H+ + 2 B(OH)4- - 5 H2O + log_k -12.74 + delta_h 12.418 #kJ/mol +# Enthalpy of formation: -1273.500 kJ/mol 01LEM/FUG + -analytic -10.56446E+0 00E+0 -64.86373E+1 00E+0 00E+0 + +Ba(cr) +Ba = Ba+2 + 2 e- + log_k 97.7 + delta_h -534.8 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 92GRE/FUG + -analytic 40.07062E-1 00E+0 27.93455E+3 00E+0 00E+0 Ba(OH)2:8H2O(cr) -Ba(OH)2:8H2O = 1.000Ba+2 - 2.000H+ + 10.000H2O - log_k 23.870 - delta_h -52.509 #kJ/mol - # Enthalpy of formation: -3340.591 #kJ/mol - -analytic 1.46708E+1 0E+0 2.74273E+3 0E+0 0E+0 +Ba(OH)2:8H2O = Ba+2 - 2 H+ + 10 H2O + log_k 23.87 + delta_h -52.506 #kJ/mol +# Enthalpy of formation: -3340.591 kJ/mol + -analytic 14.67134E+0 00E+0 27.42579E+2 00E+0 00E+0 Ba(SeO3)(s) -Ba(SeO3) = 1.000Ba+2 + 1.000SeO3-2 - log_k -6.500 #05OLI/NOL - delta_h -5.260 #kJ/mol - # Enthalpy of formation: -1036.7 #kJ/mol #05OLI/NOL - -analytic -7.42151E+0 0E+0 2.74749E+2 0E+0 0E+0 +Ba(SeO3) = Ba+2 + SeO3-2 + log_k -6.5 #05OLI/NOL + delta_h -5.26 #kJ/mol +# Enthalpy of formation: -1036.700 kJ/mol 05OLI/NOL + -analytic -74.21512E-1 00E+0 27.47489E+1 00E+0 00E+0 Ba(SeO4)(cr) -Ba(SeO4) = 1.000Ba+2 + 1.000SeO4-2 - log_k -7.560 #05OLI/NOL - delta_h 5.700 #kJ/mol - # Enthalpy of formation: -1144 #kJ/mol #05OLI/NOL - -analytic -6.5614E+0 0E+0 -2.97731E+2 0E+0 0E+0 - -Ba(cr) -Ba = 1.000Ba+2 + 1.000H2O - 2.000H+ - 0.500O2 - log_k 140.690 - delta_h -814.563 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #92GRE/FUG - -analytic -2.0151E+0 0E+0 4.25475E+4 0E+0 0E+0 +Ba(SeO4) = Ba+2 + SeO4-2 + log_k -7.56 #05OLI/NOL + delta_h 5.7 #kJ/mol +# Enthalpy of formation: -1144.000 kJ/mol 05OLI/NOL + -analytic -65.61403E-1 00E+0 -29.77317E+1 00E+0 00E+0 BaCl2(cr) -BaCl2 = 1.000Ba+2 + 2.000Cl- - log_k 2.300 - delta_h -13.760 #kJ/mol - # Enthalpy of formation: -855.2 #kJ/mol #95SIL/BID - -analytic -1.10645E-1 0E+0 7.18734E+2 0E+0 0E+0 +BaCl2 = Ba+2 + 2 Cl- + log_k 2.3 + delta_h -13.76 #kJ/mol +# Enthalpy of formation: -855.200 kJ/mol 95SIL/BID + -analytic -11.06485E-2 00E+0 71.87349E+1 00E+0 00E+0 BaCl2:2H2O(s) -BaCl2:2H2O = 1.000Ba+2 + 2.000Cl- + 2.000H2O - log_k -0.340 - delta_h 19.418 #kJ/mol - # Enthalpy of formation: -1460.038 #kJ/mol - -analytic 3.06188E+0 0E+0 -1.01427E+3 0E+0 0E+0 +BaCl2:2H2O = Ba+2 + 2 Cl- + 2 H2O + log_k -0.34 + delta_h 19.42 #kJ/mol +# Enthalpy of formation: -1460.038 kJ/mol + -analytic 30.62238E-1 00E+0 -10.14377E+2 00E+0 00E+0 BaCl2:H2O(s) -BaCl2:H2O = 1.000Ba+2 + 2.000Cl- + 1.000H2O - log_k 0.280 - delta_h 5.746 #kJ/mol - # Enthalpy of formation: -1160.536 #kJ/mol - -analytic 1.28665E+0 0E+0 -3.00134E+2 0E+0 0E+0 +BaCl2:H2O = Ba+2 + 2 Cl- + H2O + log_k 0.28 + delta_h 5.747 #kJ/mol +# Enthalpy of formation: -1160.536 kJ/mol + -analytic 12.86831E-1 00E+0 -30.01867E+1 00E+0 00E+0 BaF2(cr) -BaF2 = 1.000Ba+2 + 2.000F- - log_k -6.320 - delta_h 1.631 #kJ/mol - # Enthalpy of formation: -1207.131 #kJ/mol - -analytic -6.03426E+0 0E+0 -8.51929E+1 0E+0 0E+0 +BaF2 = Ba+2 + 2 F- + log_k -6.32 + delta_h 1.644 #kJ/mol +# Enthalpy of formation: -1207.143 kJ/mol + -analytic -60.31984E-1 00E+0 -85.8721E+0 00E+0 00E+0 BaHPO4(s) -BaHPO4 = 1.000Ba+2 - 1.000H+ + 1.000H2(PO4)- - log_k -0.190 #66SPI/MIK in 76SMI/MAR - delta_h -22.800 #kJ/mol - # Enthalpy of formation: -1814.6 #kJ/mol #82WAG/EVA - -analytic -4.18438E+0 0E+0 1.19093E+3 0E+0 0E+0 +BaHPO4 = Ba+2 - H+ + H2(PO4)- + log_k -0.19 #66SPI/MIK in 76SMI/MAR + delta_h -22.8 #kJ/mol +# Enthalpy of formation: -1814.600 kJ/mol 82WAG/EVA + -analytic -41.84389E-1 00E+0 11.90927E+2 00E+0 00E+0 BaMoO4(s) -BaMoO4 = 1.000Ba+2 + 1.000MoO4-2 - log_k -7.830 - delta_h 13.822 #kJ/mol - # Enthalpy of formation: -1545.622 #kJ/mol - -analytic -5.40849E+0 0E+0 -7.21972E+2 0E+0 0E+0 +BaMoO4 = Ba+2 + MoO4-2 + log_k -7.83 + delta_h 13.779 #kJ/mol +# Enthalpy of formation: -1545.578 kJ/mol + -analytic -54.16023E-1 00E+0 -71.97273E+1 00E+0 00E+0 BaO(cr) -BaO = 1.000Ba+2 - 2.000H+ + 1.000H2O - log_k 48.070 - delta_h -272.530 #kJ/mol - # Enthalpy of formation: -548.1 #kJ/mol #95SIL/BID - -analytic 3.24864E-1 0E+0 1.42352E+4 0E+0 0E+0 - -BaS(s) -BaS = 1.000Ba+2 - 1.000H+ + 1.000HS- - log_k 15.660 - delta_h -90.248 #kJ/mol - # Enthalpy of formation: -460.852 #kJ/mol - -analytic -1.50748E-1 0E+0 4.71397E+3 0E+0 0E+0 +BaO = Ba+2 - 2 H+ + H2O + log_k 48.07 + delta_h -272.53 #kJ/mol +# Enthalpy of formation: -548.100 kJ/mol 95SIL/BID + -analytic 32.47935E-2 00E+0 14.23523E+3 00E+0 00E+0 Barite -Ba(SO4) = 1.000Ba+2 + 1.000SO4-2 - log_k -9.970 #85LAN/MEL in 90NOR/PLU - delta_h 26.460 #kJ/mol #85LAN/MEL in 90NOR/PLU - # Enthalpy of formation: -1470.6 #kJ/mol - -analytic -5.33441E+0 0E+0 -1.3821E+3 0E+0 0E+0 +Ba(SO4) = Ba+2 + SO4-2 + log_k -9.97 #85LAN/MEL in 90NOR/PLU; Uncertainty to include available data. + delta_h 26.46 #kJ/mol 85LAN/MEL in 90NOR/PLU +# Enthalpy of formation: -1470.600 kJ/mol + -analytic -53.34407E-1 00E+0 -13.82102E+2 00E+0 00E+0 + -Vm 52.1 + +BaS(s) +BaS = Ba+2 - H+ + HS- + log_k 15.66 + delta_h -90.248 #kJ/mol +# Enthalpy of formation: -460.852 kJ/mol + -analytic -15.07709E-2 00E+0 47.13981E+2 00E+0 00E+0 Bassanite -CaSO4:0.5H2O = 1.000Ca+2 + 1.000SO4-2 + 0.500H2O - log_k -3.920 #06BLA/PIA - delta_h -17.358 #kJ/mol - # Enthalpy of formation: -1577.897 #kJ/mol - -analytic -6.96099E+0 0E+0 9.0667E+2 0E+0 0E+0 +CaSO4:0.5H2O = Ca+2 + SO4-2 + 0.5 H2O + log_k -3.92 #06BLA/PIA + delta_h -17.358 #kJ/mol +# Enthalpy of formation: -1577.897 kJ/mol + -analytic -69.60991E-1 00E+0 90.66715E+1 00E+0 00E+0 Bassetite -Fe(UO2)2(PO4)2 = 1.000Fe+2 + 2.000UO2+2 - 4.000H+ + 2.000H2(PO4)- - log_k -1.070 #65MUT/HIR - delta_h -36.464 #kJ/mol - # Enthalpy of formation: -8996.928 #kJ/mol - -analytic -7.45821E+0 0E+0 1.90464E+3 0E+0 0E+0 +Fe(UO2)2(PO4)2 = Fe+2 + 2 UO2+2 - 4 H+ + 2 H2(PO4)- + log_k -1.07 #65MUT/HIR + delta_h -36.645 #kJ/mol +# Enthalpy of formation: -4696.849 kJ/mol + -analytic -74.89928E-1 00E+0 19.14102E+2 00E+0 00E+0 + +Be(cr) +Be = 2 e- + Be+2 + log_k 66.62 + delta_h -382.8 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic -44.36812E-2 00E+0 19.99504E+3 00E+0 00E+0 + +Be(OH)2(alpha,cr) +Be(OH)2 = -2 H+ + 2 H2O + Be+2 + log_k 6.9 #20ÇEV/GAO + delta_h -51.812 #kJ/mol +# Enthalpy of formation: -902.647 kJ/mol + -analytic -21.77073E-1 00E+0 27.06329E+2 00E+0 00E+0 + +Be(OH)2(beta,cr) +Be(OH)2 = -2 H+ + 2 H2O + Be+2 + log_k 5.9 #87BRU/GRE + delta_h -45.603 #kJ/mol +# Enthalpy of formation: -908.856 kJ/mol + -analytic -20.89303E-1 00E+0 23.82011E+2 00E+0 00E+0 + +BeCl2(alpha,cr) +BeCl2 = 2 Cl- + Be+2 + log_k 34.42 + delta_h -226.03 #kJ/mol +# Enthalpy of formation: -490.930 kJ/mol 98CHA + -analytic -51.78756E-1 00E+0 11.80637E+3 00E+0 00E+0 + +BeCl2(beta,cr) +BeCl2 = 2 Cl- + Be+2 + log_k 33.85 + delta_h -220.738 #kJ/mol +# Enthalpy of formation: -496.222 kJ/mol 98CHA + -analytic -48.21638E-1 00E+0 11.52995E+3 00E+0 00E+0 Becquerelite(nat) -Ca(UO2)6O4(OH)6:8H2O = 1.000Ca+2 + 6.000UO2+2 - 14.000H+ + 18.000H2O - log_k 29.000 #97CAS/BRU - delta_h -378.310 #kJ/mol - # Enthalpy of formation: -11423.63 #kJ/mol #99CHE/EWI - -analytic -3.7277E+1 0E+0 1.97605E+4 0E+0 0E+0 +Ca(UO2)6O4(OH)6:8H2O = Ca+2 + 6 UO2+2 - 14 H+ + 18 H2O + log_k 29 #97CAS/BRU + delta_h -378.31 #kJ/mol +# Enthalpy of formation: -11423.630kJ/mol 99CHE/EWI + -analytic -37.27707E+0 00E+0 19.76051E+3 00E+0 00E+0 Becquerelite(syn) -Ca(UO2)6O4(OH)6:8H2O = 1.000Ca+2 + 6.000UO2+2 - 14.000H+ + 18.000H2O - log_k 40.500 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.05E+1 0E+0 0E+0 0E+0 0E+0 +Ca(UO2)6O4(OH)6:8H2O = Ca+2 + 6 UO2+2 - 14 H+ + 18 H2O + log_k 40.5 #03GUI/FAN + -analytic 40.5E+0 00E+0 00E+0 00E+0 00E+0 + +BeF2(alfa,cr) +BeF2 = 2 F- + Be+2 + log_k -6.32 + delta_h -26.746 #kJ/mol +# Enthalpy of formation: -1026.754 kJ/mol 98CHA + -analytic -11.0057E+0 00E+0 13.97041E+2 00E+0 00E+0 + +Beidellite_SBld-1 +Ca0.185K0.104(Si3.574Al0.426)(Al1.812Mg0.09Fe0.112)O10(OH)2 = 0.185 Ca+2 + 0.09 Mg+2 + 0.104 K+ + 0.112 Fe+3 + 2.238 Al+3 - 7.704 H+ + 3.574 H4(SiO4) - 2.296 H2O + log_k 7.58 + delta_h -224.605 #kJ/mol +# Enthalpy of formation: -5720.690 kJ/mol 12GAI/BLA + -analytic -31.76911E+0 00E+0 11.73194E+3 00E+0 00E+0 + -Vm 137.98 + +Beidellite_SBld-1(4.576H2O) +Ca0.185K0.104Si3.574Al2.238Mg0.09Fe0.112O10(OH)2:4.576H2O = 0.185 Ca+2 + 0.09 Mg+2 + 0.104 K+ + 0.112 Fe+3 + 2.238 Al+3 - 7.704 H+ + 3.574 H4(SiO4) + 2.28 H2O + log_k 4.26 + delta_h -193.803 #kJ/mol +# Enthalpy of formation: -7059.450 kJ/mol 12GAI/BLA + -analytic -29.69283E+0 00E+0 10.12304E+3 00E+0 00E+0 + -Vm 220.67 Beidellite-Ca -Ca0.17Al2.34Si3.66O10(OH)2 = 0.170Ca+2 + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O - log_k 5.770 - delta_h -207.635 #kJ/mol - # Enthalpy of formation: -5737.91 #kJ/mol #15BLA/VIE - -analytic -3.0606E+1 0E+0 1.08455E+4 0E+0 0E+0 +Ca0.17Al2.34Si3.66O10(OH)2 = 0.17 Ca+2 + 2.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O + log_k 5.77 + delta_h -207.635 #kJ/mol +# Enthalpy of formation: -5737.910 kJ/mol 15BLA/VIE + -analytic -30.60609E+0 00E+0 10.84553E+3 00E+0 00E+0 + -Vm 134.1 Beidellite-K -K0.34Al2.34Si3.66O10(OH)2 = 0.340K+ + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O - log_k 4.600 - delta_h -189.102 #kJ/mol - # Enthalpy of formation: -5749.86 #kJ/mol #15BLA/VIE - -analytic -2.85292E+1 0E+0 9.87747E+3 0E+0 0E+0 +K0.34Al2.34Si3.66O10(OH)2 = 0.34 K+ + 2.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O + log_k 4.6 + delta_h -189.102 #kJ/mol +# Enthalpy of formation: -5749.860 kJ/mol 15BLA/VIE + -analytic -28.52925E+0 00E+0 98.77485E+2 00E+0 00E+0 + -Vm 133.22 Beidellite-Mg -Mg0.17Al2.34Si3.66O10(OH)2 = 0.170Mg+2 + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O - log_k 5.230 - delta_h -208.815 #kJ/mol - # Enthalpy of formation: -5723.81 #kJ/mol #15BLA/VIE - -analytic -3.13528E+1 0E+0 1.09072E+4 0E+0 0E+0 +Mg0.17Al2.34Si3.66O10(OH)2 = 0.17 Mg+2 + 2.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O + log_k 5.23 + delta_h -208.815 #kJ/mol +# Enthalpy of formation: -5723.810 kJ/mol 15BLA/VIE + -analytic -31.35282E+0 00E+0 10.90717E+3 00E+0 00E+0 + -Vm 130.11 Beidellite-Na -Na0.34Al2.34Si3.66O10(OH)2 = 0.340Na+ + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O - log_k 5.100 - delta_h -197.720 #kJ/mol - # Enthalpy of formation: -5737.23 #kJ/mol #15BLA/VIE - -analytic -2.9539E+1 0E+0 1.03276E+4 0E+0 0E+0 - -Beidellite_SBld-1 -Ca0.185K0.104(Si3.574Al0.426)(Al1.812Mg0.090Fe0.112)O10(OH)2 = 0.185Ca+2 + 0.090Mg+2 + 0.104K+ + 0.112Fe+3 + 2.238Al+3 - 7.704H+ + 3.574H4(SiO4) - 2.296H2O - log_k 7.590 - delta_h -224.486 #kJ/mol - # Enthalpy of formation: -5720.69 #kJ/mol #12GAI/BLA - -analytic -3.17382E+1 0E+0 1.17257E+4 0E+0 0E+0 - -Beidellite_SBld-1(4.576H2O) -Ca0.185K0.104Si3.574Al2.238Mg0.090Fe0.112O10(OH)2:4.576H2O = 0.185Ca+2 + 0.090Mg+2 + 0.104K+ + 0.112Fe+3 + 2.238Al+3 - 7.704H+ + 3.574H4(SiO4) + 2.280H2O - log_k 4.290 - delta_h -193.685 #kJ/mol - # Enthalpy of formation: -7059.45 #kJ/mol #12GAI/BLA - -analytic -2.96421E+1 0E+0 1.01169E+4 0E+0 0E+0 +Na0.34Al2.34Si3.66O10(OH)2 = 0.34 Na+ + 2.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O + log_k 5.1 + delta_h -197.72 #kJ/mol +# Enthalpy of formation: -5737.230 kJ/mol 15BLA/VIE + -analytic -29.53906E+0 00E+0 10.32763E+3 00E+0 00E+0 + -Vm 132.49 + +BeO(cr) +BeO = -2 H+ + H2O + Be+2 + log_k 6.72 + delta_h -60.276 #kJ/mol +# Enthalpy of formation: -608.354 kJ/mol 98CHA + -analytic -38.39902E-1 00E+0 31.48435E+2 00E+0 00E+0 Berlinite -Al(PO4) = 1.000Al+3 - 2.000H+ + 1.000H2(PO4)- - log_k -0.570 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.7E-1 0E+0 0E+0 0E+0 0E+0 +Al(PO4) = Al+3 - 2 H+ + H2(PO4)- + log_k -0.57 #96FAL/REA + -analytic -57E-2 00E+0 00E+0 00E+0 00E+0 Berndtite -SnS2 = 1.000Sn+4 - 2.000H+ + 2.000HS- - log_k -37.560 - delta_h 87.401 #kJ/mol - # Enthalpy of formation: -151.5 #kJ/mol #12GAM/GAJ - -analytic -2.2248E+1 0E+0 -4.56527E+3 0E+0 0E+0 +SnS2 = Sn+4 - 2 H+ + 2 HS- + log_k -37.56 + delta_h 87.389 #kJ/mol +# Enthalpy of formation: -151.500 kJ/mol 12GAM/GAJ + -analytic -22.2501E+0 00E+0 -45.64645E+2 00E+0 00E+0 Berthierine(FeII) -(Fe2Al)(SiAl)O5(OH)4 = 2.000Al+3 + 1.000H4(SiO4) + 2.000Fe+2 + 5.000H2O - 10.000H+ - log_k 34.560 - delta_h -376.684 #kJ/mol - # Enthalpy of formation: -3770.46 #kJ/mol #15BLA/VIE - -analytic -3.14321E+1 0E+0 1.96755E+4 0E+0 0E+0 +(Fe2Al)(SiAl)O5(OH)4 = 2 Fe+2 + 2 Al+3 - 10 H+ + H4(SiO4) + 5 H2O + log_k 34.61 + delta_h -377.274 #kJ/mol +# Enthalpy of formation: -3770.460 kJ/mol 15BLA/VIE + -analytic -31.48557E+0 00E+0 19.70639E+3 00E+0 00E+0 + -Vm 103.86 Berthierine(FeIII) -(Fe2.34Fe0.33Al0.33)(Si1.34Al0.66)O5(OH)4 = 0.330Fe+3 + 2.340Fe+2 + 0.990Al+3 - 8.640H+ + 1.340H4(SiO4) + 3.640H2O - log_k 28.800 - delta_h -300.177 #kJ/mol - # Enthalpy of formation: -3458.03 #kJ/mol #15BLA/VIE - -analytic -2.37887E+1 0E+0 1.56793E+4 0E+0 0E+0 +(Fe2.34Fe0.33Al0.33)(Si1.34Al0.66)O5(OH)4 = 0.33 Fe+3 + 2.34 Fe+2 + 0.99 Al+3 - 8.64 H+ + 1.34 H4(SiO4) + 3.64 H2O + log_k 28.85 + delta_h -301.216 #kJ/mol +# Enthalpy of formation: -3458.030 kJ/mol 15BLA/VIE + -analytic -23.92078E+0 00E+0 15.73361E+3 00E+0 00E+0 + -Vm 103.27 Berthierine_ISGS -(Si1.332Al0.668)(Al0.976Fe0.182Fe1.44Mg0.157)O5(OH)4 = 0.157Mg+2 + 0.182Fe+3 + 1.644Al+3 + 1.332H4(SiO4) + 1.440Fe+2 + 3.672H2O - 8.672H+ - log_k 27.930 - delta_h -318.385 #kJ/mol - # Enthalpy of formation: -3774.46 #kJ/mol #13BLA/GAI2 - -analytic -2.78486E+1 0E+0 1.66304E+4 0E+0 0E+0 +(Si1.332Al0.668)(Al0.976Fe0.182Fe1.44Mg0.157)O5(OH)4 = 0.157 Mg+2 + 0.182 Fe+3 + 1.44 Fe+2 + 1.644 Al+3 - 8.672 H+ + 1.332 H4(SiO4) + 3.672 H2O + log_k 27.94 + delta_h -319.002 #kJ/mol +# Enthalpy of formation: -3774.460 kJ/mol 13BLA/GAI2 + -analytic -27.94675E+0 00E+0 16.66263E+3 00E+0 00E+0 + -Vm 101.16 Berthierine_Lorraine -Fe0.608Fe0.936Mg0.37Al1.052Si1.52O5(OH)4 = 0.370Mg+2 + 0.936Fe+3 + 0.608Fe+2 + 1.052Al+3 - 7.920H+ + 1.520H4(SiO4) + 2.920H2O - log_k 1.030 - delta_h -162.510 #kJ/mol - # Enthalpy of formation: -3732.9 #kJ/mol #08GAI - -analytic -2.74405E+1 0E+0 8.48848E+3 0E+0 0E+0 +Fe0.608Fe0.936Mg0.37Al1.052Si1.52O5(OH)4 = 0.37 Mg+2 + 0.936 Fe+3 + 0.608 Fe+2 + 1.052 Al+3 - 7.92 H+ + 1.52 H4(SiO4) + 2.92 H2O + log_k 1.01 + delta_h -163.677 #kJ/mol +# Enthalpy of formation: -3732.900 kJ/mol 08GAI + -analytic -27.66498E+0 00E+0 85.49445E+2 00E+0 00E+0 + -Vm 103.8 + +BeSO4(alfa,cr) +BeSO4 = SO4-2 + Be+2 + log_k 6.12 + delta_h -91.34 #kJ/mol +# Enthalpy of formation: -1200.800 kJ/mol 98CHA + -analytic -98.82081E-1 00E+0 47.7102E+2 00E+0 00E+0 Bieberite -CoSO4:7H2O = 1.000Co+2 + 1.000SO4-2 + 7.000H2O - log_k -2.350 - delta_h 11.840 #kJ/mol - # Enthalpy of formation: -2979.59 #kJ/mol #74NAU/RYZ - -analytic -2.75724E-1 0E+0 -6.18445E+2 0E+0 0E+0 +CoSO4:7H2O = Co+2 + SO4-2 + 7 H2O + log_k -2.35 + delta_h 11.84 #kJ/mol +# Enthalpy of formation: -2979.590 kJ/mol 74NAU/RYZ + -analytic -27.5721E-2 00E+0 -61.84463E+1 00E+0 00E+0 Bischofite -MgCl2:6H2O = 1.000Mg+2 + 2.000Cl- + 6.000H2O - log_k 4.460 #84HAR/MOL - delta_h -8.710 #kJ/mol - # Enthalpy of formation: -2507.43 #kJ/mol - -analytic 2.93408E+0 0E+0 4.54954E+2 0E+0 0E+0 +MgCl2:6H2O = Mg+2 + 2 Cl- + 6 H2O + log_k 4.46 #84HAR/MOL + delta_h -8.71 #kJ/mol +# Enthalpy of formation: -2507.430 kJ/mol 84HAR/MOL + -analytic 29.34074E-1 00E+0 45.4955E+1 00E+0 00E+0 Bloedite -Na2Mg(SO4)2:4H2O = 1.000Mg+2 + 2.000Na+ + 2.000SO4-2 + 4.000H2O - log_k -2.350 #84HAR/MOL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.35E+0 0E+0 0E+0 0E+0 0E+0 +Na2Mg(SO4)2:4H2O = Mg+2 + 2 Na+ + 2 SO4-2 + 4 H2O + log_k -2.35 #84HAR/MOL + -analytic -23.5E-1 00E+0 00E+0 00E+0 00E+0 Boehmite -AlO(OH) = 1.000Al+3 - 3.000H+ + 2.000H2O - log_k 7.620 - delta_h -113.660 #kJ/mol - # Enthalpy of formation: -996.4 #kJ/mol #95ROB/HEM - -analytic -1.22923E+1 0E+0 5.93687E+3 0E+0 0E+0 +AlO(OH) = Al+3 - 3 H+ + 2 H2O + log_k 7.62 + delta_h -113.66 #kJ/mol +# Enthalpy of formation: -996.400 kJ/mol 95ROB/HEM + -analytic -12.29238E+0 00E+0 59.36875E+2 00E+0 00E+0 + +Br2(l) +Br2 = -2 e- + 2 Br- + log_k -36.39 + delta_h 242.82 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic 61.50238E-1 00E+0 -12.68337E+3 00E+0 00E+0 + +Brochantite +Cu4SO4(OH)6 = 4 Cu+2 - 6 H+ + SO4-2 + 6 H2O + log_k 15.54 + delta_h -176.191 #kJ/mol +# Enthalpy of formation: -2188.527 kJ/mol + -analytic -15.32734E+0 00E+0 92.03097E+2 00E+0 00E+0 Brucite -Mg(OH)2 = 1.000Mg+2 - 2.000H+ + 2.000H2O - log_k 17.100 #03ALT/MET - delta_h -114.160 #kJ/mol - # Enthalpy of formation: -924.5 #kJ/mol #95ROB/HEM - -analytic -2.89994E+0 0E+0 5.96298E+3 0E+0 0E+0 +Mg(OH)2 = Mg+2 - 2 H+ + 2 H2O + log_k 17.1 #03ALT/MET + delta_h -114.16 #kJ/mol +# Enthalpy of formation: -924.500 kJ/mol 95ROB/HEM + -analytic -28.99973E-1 00E+0 59.62992E+2 00E+0 00E+0 + -Vm 24.63 Brushite -Ca(HPO4):2H2O = 1.000Ca+2 - 1.000H+ + 1.000H2(PO4)- + 2.000H2O - log_k 0.600 #84NAN - delta_h -7.375 #kJ/mol - # Enthalpy of formation: -2409.885 #kJ/mol - -analytic -6.92043E-1 0E+0 3.85223E+2 0E+0 0E+0 +Ca(HPO4):2H2O = Ca+2 - H+ + H2(PO4)- + 2 H2O + log_k 0.6 #84NAN + delta_h -7.375 #kJ/mol +# Enthalpy of formation: -2409.884 kJ/mol + -analytic -69.20445E-2 00E+0 38.52231E+1 00E+0 00E+0 Bunsenite -NiO = 1.000Ni+2 - 2.000H+ + 1.000H2O - log_k 12.480 - delta_h -101.142 #kJ/mol - # Enthalpy of formation: -239.7 #kJ/mol #05GAM/BUG - -analytic -5.23929E+0 0E+0 5.28301E+3 0E+0 0E+0 +NiO = Ni+2 - 2 H+ + H2O + log_k 12.48 + delta_h -101.142 #kJ/mol +# Enthalpy of formation: -239.700 kJ/mol 05GAM/BUG + -analytic -52.39318E-1 00E+0 52.83015E+2 00E+0 00E+0 Burkeite -Na6(CO3)(SO4)2 = 6.000Na+ + 1.000CO3-2 + 2.000SO4-2 - log_k -0.770 #84HAR/MOL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -7.7E-1 0E+0 0E+0 0E+0 0E+0 +Na6(CO3)(SO4)2 = 6 Na+ + CO3-2 + 2 SO4-2 + log_k -0.77 #84HAR/MOL + -analytic -77E-2 00E+0 00E+0 00E+0 00E+0 C(cr) -C = 2.000H+ + 1.000CO3-2 - 1.000H2O - 1.000O2 - log_k 53.830 - delta_h -377.266 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #89COX/WAG - -analytic -1.22641E+1 0E+0 1.97059E+4 0E+0 0E+0 +C = 6 H+ + 4 e- + CO3-2 - 3 H2O + log_k -32.15 + delta_h 182.26 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic -21.94186E-2 00E+0 -95.20103E+2 00E+0 00E+0 C2SH(alpha) -Ca2(HSiO4)(OH) = 2.000Ca+2 - 4.000H+ + 1.000H4(SiO4) + 1.000H2O - log_k 35.540 - delta_h -198.104 #kJ/mol - # Enthalpy of formation: -2634.92 #kJ/mol #10BLA/BOU1 - -analytic 8.3372E-1 0E+0 1.03477E+4 0E+0 0E+0 +Ca2(HSiO4)(OH) = 2 Ca+2 - 4 H+ + H4(SiO4) + H2O + log_k 35.54 + delta_h -198.104 #kJ/mol +# Enthalpy of formation: -2634.920 kJ/mol 10BLA/BOU1 + -analytic 83.3669E-2 00E+0 10.34769E+3 00E+0 00E+0 + -Vm 71.12 C3AH6 -Ca3Al2(OH)12 = 3.000Ca+2 + 2.000Al+3 - 12.000H+ + 12.000H2O - log_k 80.320 #10BLA/BOU2 - delta_h -584.260 #kJ/mol - # Enthalpy of formation: -5551.5 #kJ/mol #99SCH/NAV - -analytic -2.20378E+1 0E+0 3.0518E+4 0E+0 0E+0 +Ca3Al2(OH)12 = 3 Ca+2 + 2 Al+3 - 12 H+ + 12 H2O + log_k 80.32 #10BLA/BOU2 + delta_h -584.26 #kJ/mol +# Enthalpy of formation: -5551.500 kJ/mol 99SCH/NAV + -analytic -22.03796E+0 00E+0 30.51803E+3 00E+0 00E+0 + -Vm 149.52 C3FH6 -Ca3Fe2(OH)12 = 3.000Ca+2 + 2.000Fe+3 - 12.000H+ + 12.000H2O - log_k 72.390 - delta_h -509.370 #kJ/mol - # Enthalpy of formation: -4647.59 #kJ/mol #10BLA/BOU2 - -analytic -1.68477E+1 0E+0 2.66062E+4 0E+0 0E+0 +Ca3Fe2(OH)12 = 3 Ca+2 + 2 Fe+3 - 12 H+ + 12 H2O + log_k 72.33 + delta_h -511.482 #kJ/mol +# Enthalpy of formation: -4647.590 kJ/mol 10BLA/BOU2 + -analytic -17.2778E+0 00E+0 26.71657E+3 00E+0 00E+0 + -Vm 154.5 C4AH13 -Ca4Al2(OH)14:6H2O = 4.000Ca+2 + 2.000Al+3 - 14.000H+ + 20.000H2O - log_k 103.650 #10BLA/BOU2 - delta_h -647.400 #kJ/mol - # Enthalpy of formation: -8318 #kJ/mol #76HOU/STE - -analytic -9.76944E+0 0E+0 3.3816E+4 0E+0 0E+0 +Ca4Al2(OH)14:6H2O = 4 Ca+2 + 2 Al+3 - 14 H+ + 20 H2O + log_k 103.65 #10BLA/BOU2 + delta_h -647.4 #kJ/mol +# Enthalpy of formation: -8318.000 kJ/mol 76HOU/STE + -analytic -97.69611E-1 00E+0 33.81606E+3 00E+0 00E+0 + -Vm 269.2 C4FH13 -Ca4Fe2(OH)14:6H2O = 4.000Ca+2 + 2.000Fe+3 - 14.000H+ + 20.000H2O - log_k 95.160 - delta_h -569.200 #kJ/mol - # Enthalpy of formation: -7417.4 #kJ/mol #10BLA/BOU2 - -analytic -4.55941E+0 0E+0 2.97313E+4 0E+0 0E+0 - -CSH0.8 -Ca0.8SiO2.8:1.54H2O = 0.800Ca+2 - 1.600H+ + 1.000H4(SiO4) + 0.340H2O - log_k 11.050 #10BLA/BOU1 - delta_h -47.646 #kJ/mol - # Enthalpy of formation: -1945.13 #kJ/mol #10BLA/BOU1 - -analytic 2.70279E+0 0E+0 2.48872E+3 0E+0 0E+0 - -CSH1.2 -Ca1.2SiO3.2:2.06H2O = 1.200Ca+2 - 2.400H+ + 1.000H4(SiO4) + 1.260H2O - log_k 19.300 #10BLA/BOU1 - delta_h -88.600 #kJ/mol - # Enthalpy of formation: -2384.34 #kJ/mol #10BLA/BOU1 - -analytic 3.77797E+0 0E+0 4.62789E+3 0E+0 0E+0 - -CSH1.6 -Ca1.6SiO3.6:2.58H2O = 1.600Ca+2 - 3.200H+ + 1.000H4(SiO4) + 2.180H2O - log_k 28.000 #10BLA/BOU1 - delta_h -133.313 #kJ/mol - # Enthalpy of formation: -2819.79 #kJ/mol #10BLA/BOU1 - -analytic 4.6446E+0 0E+0 6.96341E+3 0E+0 0E+0 +Ca4Fe2(OH)14:6H2O = 4 Ca+2 + 2 Fe+3 - 14 H+ + 20 H2O + log_k 95.08 + delta_h -571.312 #kJ/mol +# Enthalpy of formation: -7417.400 kJ/mol 10BLA/BOU2 + -analytic -50.09566E-1 00E+0 29.8417E+3 00E+0 00E+0 + -Vm 274.4 Ca(Adipate)(s) -Ca(Adipate) = 1.000Ca+2 + 1.000Adipate-2 - log_k -3.300 #12GRI/GAR2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.3E+0 0E+0 0E+0 0E+0 0E+0 +Ca(Adipate) = Ca+2 + Adipate-2 + log_k -3.3 #12GRI/GAR2 + -analytic -33E-1 00E+0 00E+0 00E+0 00E+0 + +Ca(cr) +Ca = Ca+2 + 2 e- + log_k 96.85 + delta_h -543 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic 17.20484E-1 00E+0 28.36287E+3 00E+0 00E+0 Ca(HGlu)2(s) -Ca(HGlu)2 = 1.000Ca+2 + 2.000HGlu- - log_k -4.190 #99VAN/GLA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.19E+0 0E+0 0E+0 0E+0 0E+0 +Ca(HGlu)2 = Ca+2 + 2 HGlu- + log_k -4.19 #99VAN/GLA + -analytic -41.9E-1 00E+0 00E+0 00E+0 00E+0 Ca(HIsa)2(cr) -Ca(HIsa)2 = 1.000Ca+2 + 2.000HIsa- - log_k -6.400 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.4E+0 0E+0 0E+0 0E+0 0E+0 +Ca(HIsa)2 = Ca+2 + 2 HIsa- + log_k -6.4 #05HUM/AND + -analytic -64E-1 00E+0 00E+0 00E+0 00E+0 Ca(HPO4)(s) -Ca(HPO4) = 1.000Ca+2 - 1.000H+ + 1.000H2(PO4)- - log_k 0.300 #84NAN - delta_h -24.098 #kJ/mol - # Enthalpy of formation: -1821.502 #kJ/mol - -analytic -3.92178E+0 0E+0 1.25872E+3 0E+0 0E+0 +Ca(HPO4) = Ca+2 - H+ + H2(PO4)- + log_k 0.3 #84NAN + delta_h -24.098 #kJ/mol +# Enthalpy of formation: -1821.502 kJ/mol + -analytic -39.21788E-1 00E+0 12.58726E+2 00E+0 00E+0 Ca(NO3)2(s) -Ca(NO3)2 = 1.000Ca+2 + 2.000NO3- - log_k 5.890 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.89E+0 0E+0 0E+0 0E+0 0E+0 +Ca(NO3)2 = Ca+2 + 2 NO3- + log_k 5.89 #96FAL/REA + -analytic 58.9E-1 00E+0 00E+0 00E+0 00E+0 Ca(Ox):2H2O(s) -Ca(Ox):2H2O = 1.000Ca+2 + 1.000Ox-2 + 2.000H2O - log_k -8.300 #05HUM/AND - delta_h 25.200 #kJ/mol - # Enthalpy of formation: -1970.52 #kJ/mol - -analytic -3.88516E+0 0E+0 -1.31629E+3 0E+0 0E+0 +Ca(Ox):2H2O = Ca+2 + Ox-2 + 2 H2O + log_k -8.3 #05HUM/AND + delta_h 25.2 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1970.520 kJ/mol + -analytic -38.8515E-1 00E+0 -13.16288E+2 00E+0 00E+0 Ca(Ox):3H2O(s) -Ca(Ox):3H2O = 1.000Ca+2 + 1.000Ox-2 + 3.000H2O - log_k -8.190 #05HUM/AND - delta_h 29.700 #kJ/mol - # Enthalpy of formation: -2260.85 #kJ/mol - -analytic -2.98679E+0 0E+0 -1.55134E+3 0E+0 0E+0 +Ca(Ox):3H2O = Ca+2 + Ox-2 + 3 H2O + log_k -8.19 #05HUM/AND + delta_h 29.7 #kJ/mol 05HUM/AND +# Enthalpy of formation: -2260.850 kJ/mol + -analytic -29.86783E-1 00E+0 -15.51339E+2 00E+0 00E+0 Ca(Ox):H2O(s) -Ca(Ox):H2O = 1.000Ca+2 + 1.000Ox-2 + 1.000H2O - log_k -8.730 #05HUM/AND - delta_h 21.500 #kJ/mol - # Enthalpy of formation: -1680.99 #kJ/mol - -analytic -4.96337E+0 0E+0 -1.12302E+3 0E+0 0E+0 - -Ca(SO3)(s) -Ca(SO3) = 1.000Ca+2 + 1.000SO3-2 - log_k -6.500 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.5E+0 0E+0 0E+0 0E+0 0E+0 +Ca(Ox):H2O = Ca+2 + Ox-2 + H2O + log_k -8.73 #05HUM/AND + delta_h 21.5 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1680.990 kJ/mol + -analytic -49.63362E-1 00E+0 -11.23023E+2 00E+0 00E+0 Ca(SeO3):H2O(s) -Ca(SeO3):H2O = 1.000Ca+2 + 1.000SeO3-2 + 1.000H2O - log_k -6.400 #05OLI/NOL - delta_h -11.190 #kJ/mol - # Enthalpy of formation: -1324.8 #kJ/mol #05OLI/NOL - -analytic -8.3604E+0 0E+0 5.84494E+2 0E+0 0E+0 +Ca(SeO3):H2O = Ca+2 + SeO3-2 + H2O + log_k -6.4 #05OLI/NOL + delta_h -11.19 #kJ/mol +# Enthalpy of formation: -1324.800 kJ/mol 05OLI/NOL + -analytic -83.60404E-1 00E+0 58.44944E+1 00E+0 00E+0 Ca(SeO4):2H2O(s) -Ca(SeO4):2H2O = 1.000Ca+2 + 1.000SeO4-2 + 2.000H2O - log_k -2.680 #05OLI/NOL - delta_h -9.160 #kJ/mol - # Enthalpy of formation: -1709 #kJ/mol #05OLI/NOL - -analytic -4.28476E+0 0E+0 4.78459E+2 0E+0 0E+0 - -Ca(s) -Ca = 1.000Ca+2 + 1.000H2O - 2.000H+ - 0.500O2 - log_k 139.840 - delta_h -822.763 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #89COX/WAG - -analytic -4.30168E+0 0E+0 4.29758E+4 0E+0 0E+0 +Ca(SeO4):2H2O = Ca+2 + SeO4-2 + 2 H2O + log_k -2.68 #05OLI/NOL + delta_h -9.16 #kJ/mol +# Enthalpy of formation: -1709.000 kJ/mol 05OLI/NOL + -analytic -42.84763E-1 00E+0 47.84601E+1 00E+0 00E+0 + +Ca(SO3)(s) +Ca(SO3) = Ca+2 + SO3-2 + log_k -6.5 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) + -analytic -65E-1 00E+0 00E+0 00E+0 00E+0 + +Ca0.5NpO2(OH)2:1.3H2O(cr) +Ca0.5NpO2(OH)2:1.3H2O = 0.5 Ca+2 + NpO2+ - 2 H+ + 3.3 H2O + log_k 12.3 #20GRE/GAO + -analytic 12.3E+0 00E+0 00E+0 00E+0 00E+0 Ca2(Pyrophos)(s) -Ca2(Pyrophos) = 2.000Ca+2 + 1.000Pyrophos-4 - log_k -15.500 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.55E+1 0E+0 0E+0 0E+0 0E+0 +Ca2(Pyrophos) = 2 Ca+2 + Pyrophos-4 + log_k -15.5 #88CHA/NEW + -analytic -15.5E+0 00E+0 00E+0 00E+0 00E+0 Ca2Cl2(OH)2:H2O(s) -Ca2Cl2(OH)2:H2O = 2.000Ca+2 - 2.000H+ + 2.000Cl- + 3.000H2O - log_k 26.530 #84HAR/MOL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.653E+1 0E+0 0E+0 0E+0 0E+0 +Ca2Cl2(OH)2:H2O = 2 Ca+2 - 2 H+ + 2 Cl- + 3 H2O + log_k 26.53 #84HAR/MOL + -analytic 26.53E+0 00E+0 00E+0 00E+0 00E+0 Ca2Fe2O5(s) -Ca2Fe2O5 = 2.000Ca+2 + 2.000Fe+3 - 10.000H+ + 5.000H2O - log_k 56.760 - delta_h -473.870 #kJ/mol - # Enthalpy of formation: -2138.3 #kJ/mol - -analytic -2.62583E+1 0E+0 2.47519E+4 0E+0 0E+0 +Ca2Fe2O5 = 2 Ca+2 + 2 Fe+3 - 10 H+ + 5 H2O + log_k 56.74 + delta_h -476.962 #kJ/mol +# Enthalpy of formation: -2138.300 kJ/mol 95ROB/HEM + -analytic -26.82016E+0 00E+0 24.91346E+3 00E+0 00E+0 Ca2ZrSi3O12(cr) -Ca2ZrSi3O12 = 2.000Ca+2 - 8.000H+ + 3.000H4(SiO4) + 1.000Zr+4 - 2.000H2O + 1.000O2 - log_k -154.250 - delta_h 764.444 #kJ/mol - # Enthalpy of formation: -6283 #kJ/mol #05BRO/CUR - -analytic -2.03254E+1 0E+0 -3.99296E+4 0E+0 0E+0 +Ca2ZrSi3O12 = 2 Ca+2 - 12 H+ - 4 e- + 3 H4(SiO4) + Zr+4 + log_k -68.27 + delta_h 204.918 #kJ/mol +# Enthalpy of formation: -6283.000 kJ/mol 05BRO/CUR + -analytic -32.36991E+0 00E+0 -10.70361E+3 00E+0 00E+0 Ca3(AsO4)2:xH2O -Ca3(AsO4)2 = 3.000Ca+2 + 2.000AsO4-3 - log_k -21.000 #11GRI/COL4 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.1E+1 0E+0 0E+0 0E+0 0E+0 +Ca3(AsO4)2 = 3 Ca+2 + 2 AsO4-3 + log_k -21 #11GRI/COL4 + -analytic -21E+0 00E+0 00E+0 00E+0 00E+0 Ca3(Cit)2:4H2O(s) -Ca3(Cit)2:4H2O = 3.000Ca+2 + 2.000Cit-3 + 4.000H2O - log_k -17.900 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.79E+1 0E+0 0E+0 0E+0 0E+0 +Ca3(Cit)2:4H2O = 3 Ca+2 + 2 Cit-3 + 4 H2O + log_k -17.9 #05HUM/AND + -analytic -17.9E+0 00E+0 00E+0 00E+0 00E+0 Ca3(PO4)2(alfa) -Ca3(PO4)2 = 3.000Ca+2 - 4.000H+ + 2.000H2(PO4)- - log_k 10.220 #84NAN - delta_h -125.300 #kJ/mol - # Enthalpy of formation: -4108.9 #kJ/mol - -analytic -1.17316E+1 0E+0 6.54487E+3 0E+0 0E+0 +Ca3(PO4)2 = 3 Ca+2 - 4 H+ + 2 H2(PO4)- + log_k 10.22 #84NAN + delta_h -125.3 #kJ/mol +# Enthalpy of formation: -4108.898 kJ/mol + -analytic -11.73162E+0 00E+0 65.44875E+2 00E+0 00E+0 Ca3B2O6(s) -Ca3B2O6 = 3.000Ca+2 - 4.000H+ + 2.000B(OH)4- - 2.000H2O - log_k 40.580 - delta_h -318.306 #kJ/mol - # Enthalpy of formation: -3429.266 #kJ/mol - -analytic -1.51847E+1 0E+0 1.66263E+4 0E+0 0E+0 +Ca3B2O6 = 3 Ca+2 - 4 H+ + 2 B(OH)4- - 2 H2O + log_k 40.58 + delta_h -318.306 #kJ/mol +# Enthalpy of formation: -3429.266 kJ/mol + -analytic -15.18482E+0 00E+0 16.62628E+3 00E+0 00E+0 Ca3ZrSi2O9(cr) -Ca3ZrSi2O9 = 3.000Ca+2 - 10.000H+ + 2.000H4(SiO4) + 1.000Zr+4 + 1.000H2O - log_k 47.870 - delta_h -416.718 #kJ/mol - # Enthalpy of formation: -5029 #kJ/mol #05BRO/CUR - -analytic -2.51358E+1 0E+0 2.17667E+4 0E+0 0E+0 +Ca3ZrSi2O9 = 3 Ca+2 - 10 H+ + 2 H4(SiO4) + Zr+4 + H2O + log_k 47.87 + delta_h -416.718 #kJ/mol +# Enthalpy of formation: -5029.000 kJ/mol 05BRO/CUR + -analytic -25.13586E+0 00E+0 21.7667E+3 00E+0 00E+0 Ca4Al2O6(CrO4):15H2O(s) -Ca4Al2O6(CrO4):15H2O = 4.000Ca+2 + 2.000Al+3 - 12.000H+ + 1.000CrO4-2 + 21.000H2O - log_k 71.360 #01PER/PAL - delta_h -545.980 #kJ/mol #01PER/PAL - # Enthalpy of formation: -9584.25 #kJ/mol - -analytic -2.42914E+1 0E+0 2.85185E+4 0E+0 0E+0 +Ca4Al2O6(CrO4):15H2O = 4 Ca+2 + 2 Al+3 - 12 H+ + CrO4-2 + 21 H2O + log_k 71.36 #01PER/PAL + delta_h -545.98 #kJ/mol 01PER/PAL +# Enthalpy of formation: -9584.250 kJ/mol + -analytic -24.29159E+0 00E+0 28.51852E+3 00E+0 00E+0 Ca4Cl2(OH)6:13H2O(s) -Ca4Cl2(OH)6:13H2O = 4.000Ca+2 - 6.000H+ + 2.000Cl- + 19.000H2O - log_k 68.730 #84HAR/MOL - delta_h -271.930 #kJ/mol - # Enthalpy of formation: -7665 #kJ/mol #82WAG/EVA - -analytic 2.109E+1 0E+0 1.42039E+4 0E+0 0E+0 +Ca4Cl2(OH)6:13H2O = 4 Ca+2 - 6 H+ + 2 Cl- + 19 H2O + log_k 68.73 #84HAR/MOL + delta_h -271.93 #kJ/mol +# Enthalpy of formation: -7665.000 kJ/mol 82WAG/EVA + -analytic 21.08991E+0 00E+0 14.20389E+3 00E+0 00E+0 Ca4H(PO4)3:2.5H2O(s) -Ca4H(PO4)3:2.5H2O = 4.000Ca+2 - 5.000H+ + 3.000H2(PO4)- + 2.500H2O - log_k 11.810 #84NAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.181E+1 0E+0 0E+0 0E+0 0E+0 +Ca4H(PO4)3:2.5H2O = 4 Ca+2 - 5 H+ + 3 H2(PO4)- + 2.5 H2O + log_k 11.81 #84NAN + -analytic 11.81E+0 00E+0 00E+0 00E+0 00E+0 Ca6(Al(OH)6)2(CrO4)3:26H2O(s) -Ca6(Al(OH)6)2(CrO4)3:26H2O = 6.000Ca+2 + 2.000Al+3 - 12.000H+ + 3.000CrO4-2 + 38.000H2O - log_k 60.280 #00PER/PAL - delta_h -509.590 #kJ/mol #00PER/PAL - # Enthalpy of formation: -17323.75 #kJ/mol - -analytic -2.89962E+1 0E+0 2.66177E+4 0E+0 0E+0 +Ca6(Al(OH)6)2(CrO4)3:26H2O = 6 Ca+2 + 2 Al+3 - 12 H+ + 3 CrO4-2 + 38 H2O + log_k 60.28 #00PER/PAL + delta_h -509.59 #kJ/mol 00PER/PAL +# Enthalpy of formation: -17323.750kJ/mol + -analytic -28.99634E+0 00E+0 26.61774E+3 00E+0 00E+0 CaB2O4(s) -CaB2O4 = 1.000Ca+2 + 2.000B(OH)4- - 4.000H2O - log_k -2.180 - delta_h -58.908 #kJ/mol - # Enthalpy of formation: -2031.004 #kJ/mol - -analytic -1.25002E+1 0E+0 3.07697E+3 0E+0 0E+0 +CaB2O4 = Ca+2 + 2 B(OH)4- - 4 H2O + log_k -2.18 + delta_h -58.894 #kJ/mol +# Enthalpy of formation: -2031.019 kJ/mol + -analytic -12.49779E+0 00E+0 30.76248E+2 00E+0 00E+0 CaB4O7(s) -CaB4O7 = 1.000Ca+2 + 2.000H+ + 4.000B(OH)4- - 9.000H2O - log_k -23.440 - delta_h 9.373 #kJ/mol - # Enthalpy of formation: -3360.367 #kJ/mol - -analytic -2.17979E+1 0E+0 -4.89585E+2 0E+0 0E+0 - -CaCO3:H2O(s) -CaCO3:H2O = 1.000Ca+2 + 1.000CO3-2 + 1.000H2O - log_k -7.600 #73HUL/TUR - delta_h -5.770 #kJ/mol - # Enthalpy of formation: -1498.29 #kJ/mol #73HUL/TUR - -analytic -8.61086E+0 0E+0 3.01388E+2 0E+0 0E+0 +CaB4O7 = Ca+2 + 2 H+ + 4 B(OH)4- - 9 H2O + log_k -23.44 + delta_h 9.371 #kJ/mol +# Enthalpy of formation: -3360.367 kJ/mol + -analytic -21.79827E+0 00E+0 -48.94814E+1 00E+0 00E+0 CaCl2:2H2O(cr) -CaCl2:2H2O = 1.000Ca+2 + 2.000Cl- + 2.000H2O - log_k 7.950 - delta_h -44.790 #kJ/mol - # Enthalpy of formation: -1404.03 #kJ/mol #87GAR/PAR - -analytic 1.0314E-1 0E+0 2.33954E+3 0E+0 0E+0 +CaCl2:2H2O = Ca+2 + 2 Cl- + 2 H2O + log_k 7.95 + delta_h -44.79 #kJ/mol +# Enthalpy of formation: -1404.030 kJ/mol 87GAR/PAR + -analytic 10.31288E-2 00E+0 23.39545E+2 00E+0 00E+0 CaCl2:4H2O(cr) -CaCl2:4H2O = 1.000Ca+2 + 2.000Cl- + 4.000H2O - log_k 5.350 - delta_h -11.310 #kJ/mol - # Enthalpy of formation: -2009.17 #kJ/mol #87GAR/PAR - -analytic 3.36858E+0 0E+0 5.90762E+2 0E+0 0E+0 +CaCl2:4H2O = Ca+2 + 2 Cl- + 4 H2O + log_k 5.35 + delta_h -11.31 #kJ/mol +# Enthalpy of formation: -2009.170 kJ/mol 87GAR/PAR + -analytic 33.68573E-1 00E+0 59.07624E+1 00E+0 00E+0 CaCl2:H2O(s) -CaCl2:H2O = 1.000Ca+2 + 2.000Cl- + 1.000H2O - log_k 7.850 - delta_h -52.160 #kJ/mol - # Enthalpy of formation: -1110.83 #kJ/mol #87GAR/PAR - -analytic -1.28803E+0 0E+0 2.7245E+3 0E+0 0E+0 +CaCl2:H2O = Ca+2 + 2 Cl- + H2O + log_k 7.85 + delta_h -52.16 #kJ/mol +# Enthalpy of formation: -1110.830 kJ/mol 87GAR/PAR + -analytic -12.8804E-1 00E+0 27.24507E+2 00E+0 00E+0 + +CaCO3:H2O(s) +CaCO3:H2O = Ca+2 + CO3-2 + H2O + log_k -7.6 #73HUL/TUR + delta_h -5.77 #kJ/mol +# Enthalpy of formation: -1498.290 kJ/mol 73HUL/TUR + -analytic -86.10861E-1 00E+0 30.13881E+1 00E+0 00E+0 CaCrO4(s) -CaCrO4 = 1.000Ca+2 + 1.000CrO4-2 - log_k -3.150 #03DEA - delta_h -22.814 #kJ/mol - # Enthalpy of formation: -1399.186 #kJ/mol - -analytic -7.14684E+0 0E+0 1.19166E+3 0E+0 0E+0 +CaCrO4 = Ca+2 + CrO4-2 + log_k -3.15 #03DEA + delta_h -22.807 #kJ/mol +# Enthalpy of formation: -1399.193 kJ/mol + -analytic -71.45615E-1 00E+0 11.91293E+2 00E+0 00E+0 + +Cadmoselite +CdSe = Cd+2 - H+ + HSe- + log_k -18.68 + delta_h 81.48 #kJ/mol +# Enthalpy of formation: -143.100 kJ/mol 05OLI/NOL + -analytic -44.05317E-1 00E+0 -42.55997E+2 00E+0 00E+0 CaF2:6H2O(s) -CaF2:6H2O = 1.000Ca+2 + 2.000F- + 6.000H2O - log_k -5.480 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.48E+0 0E+0 0E+0 0E+0 0E+0 +CaF2:6H2O = Ca+2 + 2 F- + 6 H2O + log_k -5.48 #96FAL/REA + -analytic -54.8E-1 00E+0 00E+0 00E+0 00E+0 CaFe2O4(s) -CaFe2O4 = 1.000Ca+2 + 2.000Fe+3 - 8.000H+ + 4.000H2O - log_k 21.240 #79ROB - delta_h -263.980 #kJ/mol - # Enthalpy of formation: -1520.34 #kJ/mol - -analytic -2.50072E+1 0E+0 1.37886E+4 0E+0 0E+0 +CaFe2O4 = Ca+2 + 2 Fe+3 - 8 H+ + 4 H2O + log_k 21.24 #79ROB + delta_h -263.98 #kJ/mol 79ROB +# Enthalpy of formation: -1522.452 kJ/mol + -analytic -25.00731E+0 00E+0 13.78864E+3 00E+0 00E+0 CaI2(s) -CaI2 = 1.000Ca+2 + 2.000I- - log_k 22.500 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.25E+1 0E+0 0E+0 0E+0 0E+0 +CaI2 = Ca+2 + 2 I- + log_k 22.5 #96FAL/REA + -analytic 22.5E+0 00E+0 00E+0 00E+0 00E+0 + +Calcite +CaCO3 = Ca+2 + CO3-2 + log_k -8.48 #82PLUM/BUS + delta_h -10.62 #kJ/mol 82PLUM/BUS +# Enthalpy of formation: -1207.610 kJ/mol + -analytic -10.34054E+0 00E+0 55.47212E+1 00E+0 00E+0 + -Vm 36.93 CaMg3(CO3)4(s) -CaMg3(CO3)4 = 1.000Ca+2 + 3.000Mg+2 + 4.000CO3-2 - log_k -30.810 # - delta_h -112.340 #kJ/mol - # Enthalpy of formation: -4532.58 #kJ/mol #73HEM/ROB - -analytic -5.04911E+1 0E+0 5.86792E+3 0E+0 0E+0 +CaMg3(CO3)4 = Ca+2 + 3 Mg+2 + 4 CO3-2 + log_k -30.81 + delta_h -112.34 #kJ/mol +# Enthalpy of formation: -4532.580 kJ/mol 73HEM/ROB + -analytic -50.49112E+0 00E+0 58.67927E+2 00E+0 00E+0 CaMoO4(s) -CaMoO4 = 1.000Ca+2 + 1.000MoO4-2 - log_k -7.900 - delta_h 1.424 #kJ/mol - # Enthalpy of formation: -1541.424 #kJ/mol - -analytic -7.65053E+0 0E+0 -7.43806E+1 0E+0 0E+0 +CaMoO4 = Ca+2 + MoO4-2 + log_k -7.9 + delta_h 1.427 #kJ/mol +# Enthalpy of formation: -1541.427 kJ/mol + -analytic -76.5E-1 00E+0 -74.5374E+0 00E+0 00E+0 CaO(cr) -CaO = 1.000Ca+2 - 2.000H+ + 1.000H2O - log_k 32.700 - delta_h -193.910 #kJ/mol - # Enthalpy of formation: -634.92 #kJ/mol #89COX/WAG - -analytic -1.27152E+0 0E+0 1.01286E+4 0E+0 0E+0 - -CaSn(OH)6(s) -CaSn(OH)6 = 1.000Ca+2 + 1.000Sn+4 - 6.000H+ + 6.000H2O - log_k -0.740 #Log K¿ estimated as the mean value of data in 00LOT/OCH2 (uncertainty to include both values) recalculated using values of Sn(OH)6-2 selected in this work - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -7.4E-1 0E+0 0E+0 0E+0 0E+0 - -CaU2O7:3H2O(cr) -CaU2O7:3H2O = 1.000Ca+2 + 2.000UO2+2 - 6.000H+ + 6.000H2O - log_k 23.400 #05ALT/NEC - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.34E+1 0E+0 0E+0 0E+0 0E+0 - -Cadmoselite -CdSe = 1.000Cd+2 - 1.000H+ + 1.000HSe- - log_k -18.680 - delta_h 81.480 #kJ/mol - # Enthalpy of formation: -143.1 #kJ/mol #05OLI/NOL - -analytic -4.40534E+0 0E+0 -4.25599E+3 0E+0 0E+0 - -Calcite -CaCO3 = 1.000Ca+2 + 1.000CO3-2 - log_k -8.480 #82PLUM/BUS - delta_h -10.620 #kJ/mol #82PLUM/BUS - # Enthalpy of formation: -1207.61 #kJ/mol - -analytic -1.03405E+1 0E+0 5.5472E+2 0E+0 0E+0 +CaO = Ca+2 - 2 H+ + H2O + log_k 32.7 + delta_h -193.91 #kJ/mol +# Enthalpy of formation: -634.920 kJ/mol 89COX/WAG + -analytic -12.71574E-1 00E+0 10.12862E+3 00E+0 00E+0 Carnallite -KMgCl3:6H2O = 1.000Mg+2 + 1.000K+ + 3.000Cl- + 6.000H2O - log_k 4.330 #84HAR/MOL - delta_h 9.339 #kJ/mol - # Enthalpy of formation: -2944.699 #kJ/mol #74NAU/RYZ - -analytic 5.96612E+0 0E+0 -4.87809E+2 0E+0 0E+0 +KMgCl3:6H2O = Mg+2 + K+ + 3 Cl- + 6 H2O + log_k 4.33 #84HAR/MOL + delta_h 9.339 #kJ/mol +# Enthalpy of formation: -2944.699 kJ/mol 74NAU/RYZ + -analytic 59.66123E-1 00E+0 -48.78099E+1 00E+0 00E+0 + +CaSn(OH)6(s) +CaSn(OH)6 = Ca+2 + Sn+4 - 6 H+ + 6 H2O + log_k -0.74 #Log Kº estimated as the mean value of data in 00LOT/OCH2 (uncertainty to include both values) recalculated using values of Sn(OH)6-2 selected in this work + -analytic -74E-2 00E+0 00E+0 00E+0 00E+0 Cassiterite -SnO2 = 1.000Sn+4 - 4.000H+ + 2.000H2O - log_k -15.600 - delta_h -25.529 #kJ/mol - # Enthalpy of formation: -577.63 #kJ/mol #12GAM/GAJ - -analytic -2.00725E+1 0E+0 1.33347E+3 0E+0 0E+0 +SnO2 = Sn+4 - 4 H+ + 2 H2O + log_k -15.6 + delta_h -25.541 #kJ/mol +# Enthalpy of formation: -577.630 kJ/mol 12GAM/GAJ + -analytic -20.07459E+0 00E+0 13.34099E+2 00E+0 00E+0 Cattierite -CoS2 = 1.000Co+2 + 2.000HS- - 1.000H2O + 0.500O2 - log_k -62.970 - delta_h 340.463 #kJ/mol - # Enthalpy of formation: -150.9 #kJ/mol #95ROB/HEM - -analytic -3.32353E+0 0E+0 -1.77836E+4 0E+0 0E+0 +CoS2 = Co+2 - 2 H+ - 2 e- + 2 HS- + log_k -19.98 + delta_h 60.7 #kJ/mol +# Enthalpy of formation: -150.900 kJ/mol 95ROB/HEM + -analytic -93.45816E-1 00E+0 -31.70582E+2 00E+0 00E+0 + +CaU2O7:3H2O(cr) +CaU2O7:3H2O = Ca+2 + 2 UO2+2 - 6 H+ + 6 H2O + log_k 23.4 #05ALT/NEC + -analytic 23.4E+0 00E+0 00E+0 00E+0 00E+0 Cd(CO3)(s) -Cd(CO3) = 1.000Cd+2 + 1.000CO3-2 - log_k -12.100 #91RAI/FEL1 - delta_h 1.482 #kJ/mol - # Enthalpy of formation: -752.632 #kJ/mol - -analytic -1.18404E+1 0E+0 -7.74101E+1 0E+0 0E+0 +Cd(CO3) = Cd+2 + CO3-2 + log_k -12.1 #91RAI/FEL1 + delta_h 1.482 #kJ/mol +# Enthalpy of formation: -752.633 kJ/mol + -analytic -11.84036E+0 00E+0 -77.41025E+0 00E+0 00E+0 + +Cd(cr) +Cd = Cd+2 + 2 e- + log_k 13.62 + delta_h -75.92 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic 31.93869E-2 00E+0 39.65578E+2 00E+0 00E+0 Cd(OH)2(s) -Cd(OH)2 = 1.000Cd+2 - 2.000H+ + 2.000H2O - log_k 13.860 #91RAI/FEL1 - delta_h -87.730 #kJ/mol - # Enthalpy of formation: -559.85 #kJ/mol - -analytic -1.50961E+0 0E+0 4.58245E+3 0E+0 0E+0 +Cd(OH)2 = Cd+2 - 2 H+ + 2 H2O + log_k 13.86 #91RAI/FEL1 + delta_h -87.73 #kJ/mol +# Enthalpy of formation: -559.850 kJ/mol + -analytic -15.09636E-1 00E+0 45.82457E+2 00E+0 00E+0 Cd(SO4)(cr) -Cd(SO4) = 1.000Cd+2 + 1.000SO4-2 - log_k -0.160 - delta_h -51.980 #kJ/mol - # Enthalpy of formation: -933.28 #kJ/mol #82WAG/EVA - -analytic -9.26649E+0 0E+0 2.7151E+3 0E+0 0E+0 +Cd(SO4) = Cd+2 + SO4-2 + log_k -0.16 + delta_h -51.98 #kJ/mol +# Enthalpy of formation: -933.280 kJ/mol 82WAG/EVA + -analytic -92.66505E-1 00E+0 27.15104E+2 00E+0 00E+0 Cd(SO4):2.67H2O(cr) -Cd(SO4):2.67H2O = 1.000Cd+2 + 1.000SO4-2 + 2.670H2O - log_k -1.550 - delta_h -20.126 #kJ/mol - # Enthalpy of formation: -1728.3 #kJ/mol #89COX/WAG - -analytic -5.07592E+0 0E+0 1.05125E+3 0E+0 0E+0 - -Cd(SeCn)2(cr) -Cd(SeCn)2 = 1.000Cd+2 + 2.000H+ + 2.000Cn- + 2.000HSe- - 2.000H2O + 1.000O2 - log_k -117.730 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.1773E+2 0E+0 0E+0 0E+0 0E+0 - -Cd(cr) -Cd = 1.000Cd+2 + 1.000H2O - 2.000H+ - 0.500O2 - log_k 56.610 - delta_h -355.683 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #89COX/WAG - -analytic -5.7029E+0 0E+0 1.85786E+4 0E+0 0E+0 +Cd(SO4):2.67H2O = Cd+2 + SO4-2 + 2.67 H2O + log_k -1.55 + delta_h -20.126 #kJ/mol +# Enthalpy of formation: -1728.300 kJ/mol 89COX/WAG + -analytic -50.75924E-1 00E+0 10.51254E+2 00E+0 00E+0 Cd3(AsO4)2(s) -Cd3(AsO4)2 = 3.000Cd+2 + 2.000AsO4-3 - log_k -32.620 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.262E+1 0E+0 0E+0 0E+0 0E+0 +Cd3(AsO4)2 = 3 Cd+2 + 2 AsO4-3 + log_k -32.62 + -analytic -32.62E+0 00E+0 00E+0 00E+0 00E+0 Cd3(PO4)2(s) -Cd3(PO4)2 = 3.000Cd+2 - 4.000H+ + 2.000H2(PO4)- - log_k 8.970 - delta_h -206.960 #kJ/mol - # Enthalpy of formation: -2626 #kJ/mol #01BEN/JEM - -analytic -2.72878E+1 0E+0 1.08103E+4 0E+0 0E+0 +Cd3(PO4)2 = 3 Cd+2 - 4 H+ + 2 H2(PO4)- + log_k 8.97 + delta_h -206.96 #kJ/mol +# Enthalpy of formation: -2626.000 kJ/mol 01BEN/JEM + -analytic -27.28784E+0 00E+0 10.81027E+3 00E+0 00E+0 Cd5(PO4)3Cl(cr) -Cd5(PO4)3Cl = 5.000Cd+2 - 6.000H+ + 1.000Cl- + 3.000H2(PO4)- - log_k 12.670 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.267E+1 0E+0 0E+0 0E+0 0E+0 +Cd5(PO4)3Cl = 5 Cd+2 - 6 H+ + Cl- + 3 H2(PO4)- + log_k 12.67 + -analytic 12.67E+0 00E+0 00E+0 00E+0 00E+0 Cd5(PO4)3OH(cr) -Cd5(PO4)3OH = 5.000Cd+2 - 7.000H+ + 3.000H2(PO4)- + 1.000H2O - log_k 19.840 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.984E+1 0E+0 0E+0 0E+0 0E+0 +Cd5(PO4)3OH = 5 Cd+2 - 7 H+ + 3 H2(PO4)- + H2O + log_k 19.84 + -analytic 19.84E+0 00E+0 00E+0 00E+0 00E+0 CdB2O4(s) -CdB2O4 = 1.000Cd+2 + 2.000B(OH)4- - 4.000H2O - log_k -8.640 #91BAL/NOR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -8.64E+0 0E+0 0E+0 0E+0 0E+0 +CdB2O4 = Cd+2 + 2 B(OH)4- - 4 H2O + log_k -8.64 #91BAL/NOR + -analytic -86.4E-1 00E+0 00E+0 00E+0 00E+0 CdCl2(s) -CdCl2 = 1.000Cd+2 + 2.000Cl- - log_k -0.660 - delta_h -18.580 #kJ/mol - # Enthalpy of formation: -391.5 #kJ/mol #74NAU/RYZ - -analytic -3.91507E+0 0E+0 9.705E+2 0E+0 0E+0 +CdCl2 = Cd+2 + 2 Cl- + log_k -0.66 + delta_h -18.58 #kJ/mol +# Enthalpy of formation: -391.500 kJ/mol 74NAU/RYZ + -analytic -39.15076E-1 00E+0 97.0501E+1 00E+0 00E+0 CdCl2:2.5H2O(s) -CdCl2:2.5H2O = 1.000Cd+2 + 2.000Cl- + 2.500H2O - log_k -1.900 - delta_h 7.285 #kJ/mol - # Enthalpy of formation: -1131.94 #kJ/mol #82WAG/EVA - -analytic -6.23725E-1 0E+0 -3.80521E+2 0E+0 0E+0 +CdCl2:2.5H2O = Cd+2 + 2 Cl- + 2.5 H2O + log_k -1.9 + delta_h 7.285 #kJ/mol +# Enthalpy of formation: -1131.940 kJ/mol 82WAG/EVA + -analytic -62.37228E-2 00E+0 -38.05221E+1 00E+0 00E+0 CdCl2:H2O(cr) -CdCl2:H2O = 1.000Cd+2 + 2.000Cl- + 1.000H2O - log_k -1.690 - delta_h -7.470 #kJ/mol - # Enthalpy of formation: -688.44 #kJ/mol #82WAG/EVA - -analytic -2.99869E+0 0E+0 3.90185E+2 0E+0 0E+0 +CdCl2:H2O = Cd+2 + 2 Cl- + H2O + log_k -1.69 + delta_h -7.47 #kJ/mol +# Enthalpy of formation: -688.440 kJ/mol 82WAG/EVA + -analytic -29.98688E-1 00E+0 39.01853E+1 00E+0 00E+0 CdO(s) -CdO = 1.000Cd+2 - 2.000H+ + 1.000H2O - log_k 15.100 - delta_h -103.400 #kJ/mol - # Enthalpy of formation: -258.35 #kJ/mol #89COX/WAG - -analytic -3.01488E+0 0E+0 5.40095E+3 0E+0 0E+0 +CdO = Cd+2 - 2 H+ + H2O + log_k 15.1 + delta_h -103.4 #kJ/mol +# Enthalpy of formation: -258.350 kJ/mol 89COX/WAG + -analytic -30.14902E-1 00E+0 54.00958E+2 00E+0 00E+0 CdS(s) -CdS = 1.000Cd+2 - 1.000H+ + 1.000HS- - log_k -14.820 #99WAN/TES - delta_h 56.570 #kJ/mol - # Enthalpy of formation: -148.79 #kJ/mol #06DEO/NAV - -analytic -4.90938E+0 0E+0 -2.95485E+3 0E+0 0E+0 +CdS = Cd+2 - H+ + HS- + log_k -14.82 #99WAN/TES + delta_h 56.57 #kJ/mol +# Enthalpy of formation: -148.790 kJ/mol 06DEO/NAV + -analytic -49.09361E-1 00E+0 -29.54857E+2 00E+0 00E+0 CdSiO3(cr) -CdSiO3 = 1.000Cd+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O - log_k 7.790 - delta_h -62.194 #kJ/mol - # Enthalpy of formation: -1189.09 #kJ/mol #77BAR/KNA - -analytic -3.10591E+0 0E+0 3.24861E+3 0E+0 0E+0 +CdSiO3 = Cd+2 - 2 H+ + H4(SiO4) - H2O + log_k 7.79 + delta_h -62.194 #kJ/mol +# Enthalpy of formation: -1189.090 kJ/mol 77BAR/KNA + -analytic -31.05921E-1 00E+0 32.48619E+2 00E+0 00E+0 Celadonite-Fe -KFeAlSi4O10(OH)2 = 1.000K+ + 1.000Fe+2 + 1.000Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O - log_k 10.220 - delta_h -103.866 #kJ/mol - # Enthalpy of formation: -5478.13 #kJ/mol #02 - -analytic -7.97652E+0 0E+0 5.42529E+3 0E+0 0E+0 +KFeAlSi4O10(OH)2 = K+ + Fe+2 + Al+3 - 6 H+ + 4 H4(SiO4) - 4 H2O + log_k 6.45 + delta_h -104.161 #kJ/mol +# Enthalpy of formation: -5478.130 kJ/mol 02PAR/VID + -analytic -11.79822E+0 00E+0 54.40708E+2 00E+0 00E+0 + -Vm 143.01 Celadonite-Mg -KMgAlSi4O10(OH)2 = 1.000Mg+2 + 1.000K+ + 1.000Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O - log_k 10.220 - delta_h -124.256 #kJ/mol - # Enthalpy of formation: -5834.74 #kJ/mol #02PAR/VID - -analytic -1.15487E+1 0E+0 6.49033E+3 0E+0 0E+0 +KMgAlSi4O10(OH)2 = Mg+2 + K+ + Al+3 - 6 H+ + 4 H4(SiO4) - 4 H2O + log_k 10.2 + delta_h -124.256 #kJ/mol +# Enthalpy of formation: -5834.740 kJ/mol 02PAR/VID + -analytic -11.56872E+0 00E+0 64.90343E+2 00E+0 00E+0 + -Vm 139.62 Celestite -Sr(SO4) = 1.000Sr+2 + 1.000SO4-2 - log_k -6.620 #06BLA/IGN - delta_h -2.451 #kJ/mol - # Enthalpy of formation: -1457.788 #kJ/mol - -analytic -7.0494E+0 0E+0 1.28024E+2 0E+0 0E+0 +Sr(SO4) = Sr+2 + SO4-2 + log_k -6.62 #06BLA/IGN + delta_h -2.451 #kJ/mol +# Enthalpy of formation: -1457.789 kJ/mol + -analytic -70.49397E-1 00E+0 12.80246E+1 00E+0 00E+0 + -Vm 46.25 Cerussite -Pb(CO3) = 1.000Pb+2 + 1.000CO3-2 - log_k -13.290 - delta_h 27.414 #kJ/mol - # Enthalpy of formation: -701.723 #kJ/mol - -analytic -8.48728E+0 0E+0 -1.43193E+3 0E+0 0E+0 +Pb(CO3) = Pb+2 + CO3-2 + log_k -13.29 + delta_h 27.425 #kJ/mol +# Enthalpy of formation: -701.735 kJ/mol + -analytic -84.85346E-1 00E+0 -14.32508E+2 00E+0 00E+0 Chabazite -CaAl2Si4O12:6H2O = 1.000Ca+2 + 2.000Al+3 - 8.000H+ + 4.000H4(SiO4) + 2.000H2O - log_k 11.540 - delta_h -209.796 #kJ/mol - # Enthalpy of formation: -7826.44 #kJ/mol #09BLA - -analytic -2.52146E+1 0E+0 1.09584E+4 0E+0 0E+0 +CaAl2Si4O12:6H2O = Ca+2 + 2 Al+3 - 8 H+ + 4 H4(SiO4) + 2 H2O + log_k 11.52 + delta_h -209.796 #kJ/mol +# Enthalpy of formation: -7826.440 kJ/mol 09BLA + -analytic -25.23468E+0 00E+0 10.95841E+3 00E+0 00E+0 + -Vm 251.16 + +Chalcanthite +CuSO4:5H2O = Cu+2 + SO4-2 + 5 H2O + log_k -2.69 + delta_h 6.108 #kJ/mol +# Enthalpy of formation: -2279.696 kJ/mol + -analytic -16.19924E-1 00E+0 -31.90431E+1 00E+0 00E+0 + +Chalcocite +Cu2S = 2 Cu+ - H+ + HS- + log_k -34.02 #94THO/HEL + delta_h 204.317 #kJ/mol +# Enthalpy of formation: -79.440 kJ/mol + -analytic 17.74802E-1 00E+0 -10.67222E+3 00E+0 00E+0 + +Chalcocyanite +CuSO4 = Cu+2 + SO4-2 + log_k 2.94 + delta_h -73.025 #kJ/mol +# Enthalpy of formation: -771.415 kJ/mol + -analytic -98.53431E-1 00E+0 38.14361E+2 00E+0 00E+0 Chamosite -Fe5Al2Si3O10(OH)8 = 5.000Fe+2 + 2.000Al+3 - 16.000H+ + 3.000H4(SiO4) + 6.000H2O - log_k 47.600 - delta_h -504.512 #kJ/mol - # Enthalpy of formation: -7120.85 #kJ/mol #05VID/PAR - -analytic -4.07866E+1 0E+0 2.63525E+4 0E+0 0E+0 +Fe5Al2Si3O10(OH)8 = 5 Fe+2 + 2 Al+3 - 16 H+ + 3 H4(SiO4) + 6 H2O + log_k 47.68 + delta_h -505.987 #kJ/mol +# Enthalpy of formation: -7120.850 kJ/mol 05VID/PAR + -analytic -40.96512E+0 00E+0 26.42954E+3 00E+0 00E+0 + -Vm 215.88 Chloroapatite -Ca5Cl(PO4)3 = 5.000Ca+2 - 6.000H+ + 1.000Cl- + 3.000H2(PO4)- - log_k 5.210 #68VAL/KOG - delta_h -132.541 #kJ/mol - # Enthalpy of formation: -6657.339 #kJ/mol - -analytic -1.80102E+1 0E+0 6.92309E+3 0E+0 0E+0 +Ca5Cl(PO4)3 = 5 Ca+2 - 6 H+ + Cl- + 3 H2(PO4)- + log_k 5.21 #68VAL/KOG + delta_h -132.541 #kJ/mol +# Enthalpy of formation: -6657.337 kJ/mol + -analytic -18.01019E+0 00E+0 69.23099E+2 00E+0 00E+0 Chromite -FeCr2O4 = 1.000Fe+2 - 8.000H+ + 2.000Cr+3 + 4.000H2O - log_k 15.120 - delta_h -268.820 #kJ/mol - # Enthalpy of formation: -1445.5 #kJ/mol #95ROB/HEM - -analytic -3.19752E+1 0E+0 1.40414E+4 0E+0 0E+0 +FeCr2O4 = Fe+2 - 8 H+ + 2 Cr+3 + 4 H2O + log_k 15.14 + delta_h -269.115 #kJ/mol +# Enthalpy of formation: -1445.500 kJ/mol 95ROB/HEM + -analytic -32.00692E+0 00E+0 14.05686E+3 00E+0 00E+0 + +Chukanovite +Fe2(OH)2CO3 = 2 Fe+2 - 2 H+ + CO3-2 + 2 H2O + log_k 2.97 + -analytic 29.7E-1 00E+0 00E+0 00E+0 00E+0 + +Cinnabar +HgS = - H+ + HS- + Hg+2 + log_k -39.18 + delta_h 208.21 #kJ/mol +# Enthalpy of formation: -54.300 kJ/mol 95ROB/HEM + -analytic -27.03174E-1 00E+0 -10.87557E+3 00E+0 00E+0 Clarkeite -Na(UO2)O(OH) = 1.000Na+ + 1.000UO2+2 - 3.000H+ + 2.000H2O - log_k 9.400 #08GOR/FEI - delta_h -106.300 #kJ/mol - # Enthalpy of formation: -1724.7 #kJ/mol #06KUB/HEL - -analytic -9.22293E+0 0E+0 5.55243E+3 0E+0 0E+0 +Na(UO2)O(OH) = Na+ + UO2+2 - 3 H+ + 2 H2O + log_k 9.4 #08GOR/FEI + delta_h -106.3 #kJ/mol +# Enthalpy of formation: -1724.700 kJ/mol 06KUB/HEL + -analytic -92.22961E-1 00E+0 55.52436E+2 00E+0 00E+0 Claudetite -As2O3 = - 3.000H2O + 2.000H3(AsO3) - log_k -1.460 - delta_h 28.240 #kJ/mol - # Enthalpy of formation: -655.15 #kJ/mol - -analytic 3.48743E+0 0E+0 -1.47508E+3 0E+0 0E+0 +As2O3 = -3 H2O + 2 H3(AsO3) + log_k -1.46 + delta_h 28.238 #kJ/mol +# Enthalpy of formation: -655.150 kJ/mol + -analytic 34.87085E-1 00E+0 -14.74973E+2 00E+0 00E+0 Clausthalite -PbSe = 1.000Pb+2 - 1.000H+ + 1.000HSe- - log_k -20.530 - delta_h 113.720 #kJ/mol - # Enthalpy of formation: -98.5 #kJ/mol #05OLI/NOL - -analytic -6.0714E-1 0E+0 -5.94E+3 0E+0 0E+0 +PbSe = Pb+2 - H+ + HSe- + log_k -20.53 + delta_h 113.72 #kJ/mol +# Enthalpy of formation: -98.500 kJ/mol 05OLI/NOL + -analytic -60.71112E-2 00E+0 -59.40009E+2 00E+0 00E+0 Clinochlore -Mg5Al2Si3O10(OH)8 = 5.000Mg+2 + 2.000Al+3 - 16.000H+ + 3.000H4(SiO4) + 6.000H2O - log_k 61.720 - delta_h -600.772 #kJ/mol - # Enthalpy of formation: -8909.59 #kJ/mol #05VID/PAR - -analytic -4.35306E+1 0E+0 3.13805E+4 0E+0 0E+0 +Mg5Al2Si3O10(OH)8 = 5 Mg+2 + 2 Al+3 - 16 H+ + 3 H4(SiO4) + 6 H2O + log_k 61.68 + delta_h -600.772 #kJ/mol +# Enthalpy of formation: -8909.590 kJ/mol 05VID/PAR + -analytic -43.57074E+0 00E+0 31.38051E+3 00E+0 00E+0 + -Vm 211.47 Clinoptilolite_Ca -Ca0.55(Si4.9Al1.1)O12:3.9H2O = 0.550Ca+2 + 1.100Al+3 - 4.400H+ + 4.900H4(SiO4) - 3.700H2O - log_k -2.350 #09BLA - delta_h -68.512 #kJ/mol - # Enthalpy of formation: -6924.658 #kJ/mol - -analytic -1.43528E+1 0E+0 3.57863E+3 0E+0 0E+0 +Ca0.55(Si4.9Al1.1)O12:3.9H2O = 0.55 Ca+2 + 1.1 Al+3 - 4.4 H+ + 4.9 H4(SiO4) - 3.7 H2O + log_k -2.35 #09BLA + delta_h -68.491 #kJ/mol +# Enthalpy of formation: -6924.681 kJ/mol + -analytic -14.34911E+0 00E+0 35.77534E+2 00E+0 00E+0 + -Vm 209.66 Clinoptilolite_K -K1.1(Si4.9Al1.1)O12:2.7H2O = 1.100K+ + 1.100Al+3 - 4.400H+ + 4.900H4(SiO4) - 4.900H2O - log_k -1.230 #09BLA - delta_h -60.128 #kJ/mol - # Enthalpy of formation: -6568.749 #kJ/mol - -analytic -1.1764E+1 0E+0 3.1407E+3 0E+0 0E+0 +K1.1(Si4.9Al1.1)O12:2.7H2O = 1.1 K+ + 1.1 Al+3 - 4.4 H+ + 4.9 H4(SiO4) - 4.9 H2O + log_k -1.23 #09BLA + delta_h -60.121 #kJ/mol +# Enthalpy of formation: -6568.760 kJ/mol + -analytic -11.76275E+0 00E+0 31.40339E+2 00E+0 00E+0 + -Vm 210.73 Clinoptilolite_Na -Na1.1(Si4.9Al1.1)O12:3.5H2O = 1.100Na+ + 1.100Al+3 - 4.400H+ + 4.900H4(SiO4) - 4.100H2O - log_k -0.090 #09BLA - delta_h -62.470 #kJ/mol - # Enthalpy of formation: -6782.091 #kJ/mol - -analytic -1.10343E+1 0E+0 3.26303E+3 0E+0 0E+0 - -Cm(CO3)(OH)(cr) -Cm(CO3)(OH) = - 1.000H+ + 1.000CO3-2 + 1.000Cm+3 + 1.000H2O - log_k -10.340 #estimated by correlation with Ln(III) and An(III) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.034E+1 0E+0 0E+0 0E+0 0E+0 - -Cm(CO3)(OH):0.5H2O(s) -Cm(CO3)(OH):0.5H2O = - 1.000H+ + 1.000CO3-2 + 1.000Cm+3 + 1.500H2O - log_k -7.780 #estimated by correlation with Ln(III) and An(III) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -7.78E+0 0E+0 0E+0 0E+0 0E+0 +Na1.1(Si4.9Al1.1)O12:3.5H2O = 1.1 Na+ + 1.1 Al+3 - 4.4 H+ + 4.9 H4(SiO4) - 4.1 H2O + log_k -0.09 #09BLA + delta_h -62.46 #kJ/mol +# Enthalpy of formation: -6782.105 kJ/mol + -analytic -11.03252E+0 00E+0 32.62513E+2 00E+0 00E+0 + -Vm 214.78 + +Cm(cr) +Cm = 3 e- + Cm+3 + log_k 104.31 + delta_h -615 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 01KON2 + -analytic -34.33375E-1 00E+0 32.12369E+3 00E+0 00E+0 Cm(OH)3(am) -Cm(OH)3 = - 3.000H+ + 1.000Cm+3 + 3.000H2O - log_k 17.900 #estimated from ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.79E+1 0E+0 0E+0 0E+0 0E+0 +Cm(OH)3 = -3 H+ + Cm+3 + 3 H2O + log_k 17.8 #Estimated by correlation with An(III) in function of ionic radii. + -analytic 17.8E+0 00E+0 00E+0 00E+0 00E+0 Cm(OH)3(cr) -Cm(OH)3 = - 3.000H+ + 1.000Cm+3 + 3.000H2O - log_k 15.600 #estimated from ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.56E+1 0E+0 0E+0 0E+0 0E+0 - -Cm(PO4):xH2O(s) -Cm(PO4) = - 2.000H+ + 1.000H2(PO4)- + 1.000Cm+3 - log_k -4.970 #estimated by correlation with Ln(III) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.97E+0 0E+0 0E+0 0E+0 0E+0 +Cm(OH)3 = -3 H+ + Cm+3 + 3 H2O + log_k 15.67 #estimated from ionic radii + -analytic 15.67E+0 00E+0 00E+0 00E+0 00E+0 -Cm(cr) -Cm = 1.000Cm+3 + 1.500H2O - 3.000H+ - 0.750O2 - log_k 168.795 #01KON2 - delta_h -1034.645 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol - -analytic -1.24667E+1 0E+0 5.40432E+4 0E+0 0E+0 - -Cm2(CO3)3(am) -Cm2(CO3)3 = 3.000CO3-2 + 2.000Cm+3 - log_k -33.900 #estimated in analogy wiht Ln(III) and Am(III) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.39E+1 0E+0 0E+0 0E+0 0E+0 +Cm(PO4):0.5H2O(am) +Cm(PO4):0.5H2O = -2 H+ + H2(PO4)- + Cm+3 + 0.5 H2O + log_k -4.97 #estimated by correlation with Ln(III) + -analytic -49.7E-1 00E+0 00E+0 00E+0 00E+0 + +Cm2(CO3)3(s) +Cm2(CO3)3 = 3 CO3-2 + 2 Cm+3 + log_k -34.3 #Estimated by correlation with An(III). + -analytic -34.3E+0 00E+0 00E+0 00E+0 00E+0 Cm2O3(cr) -Cm2O3 = - 6.000H+ + 2.000Cm+3 + 3.000H2O - log_k 53.100 - delta_h -403.490 #kJ/mol - # Enthalpy of formation: -1684 #kJ/mol #01KON2 - -analytic -1.75883E+1 0E+0 2.10757E+4 0E+0 0E+0 +Cm2O3 = -6 H+ + 2 Cm+3 + 3 H2O + log_k 52.97 + delta_h -403.49 #kJ/mol +# Enthalpy of formation: -1684.000 kJ/mol 01KON2 + -analytic -17.71841E+0 00E+0 21.07575E+3 00E+0 00E+0 CmCl3(cr) -CmCl3 = 3.000Cl- + 1.000Cm+3 - log_k 15.070 - delta_h -141.840 #kJ/mol - # Enthalpy of formation: -974.4 #kJ/mol #85BAR/PAR - -analytic -9.77926E+0 0E+0 7.40881E+3 0E+0 0E+0 +CmCl3 = 3 Cl- + Cm+3 + log_k 15.07 + delta_h -141.84 #kJ/mol +# Enthalpy of formation: -974.400 kJ/mol 85BAR/PAR + -analytic -97.79301E-1 00E+0 74.08819E+2 00E+0 00E+0 + +CmCO3OH(cr) +Cm(CO3)(OH) = - H+ + CO3-2 + Cm+3 + H2O + log_k -10.34 #Estimation. Correlation with An(III). + -analytic -10.34E+0 00E+0 00E+0 00E+0 00E+0 + +CmCO3OH(s) +CmOHCO3 = - H+ + CO3-2 + Cm+3 + H2O + log_k -6.15 #Estimated using the data for AmCO3OH(s). + -analytic -61.5E-1 00E+0 00E+0 00E+0 00E+0 + +CmCO3OH:0.5H2O(s) +Cm(CO3)(OH):0.5H2O = - H+ + CO3-2 + Cm+3 + 1.5 H2O + log_k -7.72 #Estimated by correlation with An(III) in function of ionic radii. + -analytic -77.2E-1 00E+0 00E+0 00E+0 00E+0 CmF3(cr) -CmF3 = 3.000F- + 1.000Cm+3 - log_k -13.160 - delta_h -32.036 #kJ/mol - # Enthalpy of formation: -1589.014 #kJ/mol #estimated by 97SVE/SHO equation - -analytic -1.87725E+1 0E+0 1.67335E+3 0E+0 0E+0 +CmF3 = 3 F- + Cm+3 + log_k -13.16 + delta_h -32.036 #kJ/mol +# Enthalpy of formation: -1589.014 kJ/mol estimated by 97SVE/SHO equation + -analytic -18.77247E+0 00E+0 16.73357E+2 00E+0 00E+0 CmOCl(cr) -CmOCl = - 2.000H+ + 1.000Cl- + 1.000Cm+3 + 1.000H2O - log_k 9.490 - delta_h -104.710 #kJ/mol - # Enthalpy of formation: -963.2 #kJ/mol #85BAR/PAR - -analytic -8.85438E+0 0E+0 5.46938E+3 0E+0 0E+0 - -CmOHCO3(am) -CmOHCO3 = - 1.000H+ + 1.000CO3-2 + 1.000Cm+3 + 1.000H2O - log_k -6.120 #estimated in anlogy with Ln(III) and Am(III) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.12E+0 0E+0 0E+0 0E+0 0E+0 +CmOCl = -2 H+ + Cl- + Cm+3 + H2O + log_k 9.49 + delta_h -104.71 #kJ/mol +# Enthalpy of formation: -963.200 kJ/mol 85BAR/PAR + -analytic -88.54405E-1 00E+0 54.69384E+2 00E+0 00E+0 + +Co(cr) +Co = Co+2 + 2 e- + log_k 9.74 + delta_h -57.6 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 87FER + -analytic -35.10868E-2 00E+0 30.08658E+2 00E+0 00E+0 Co(FeO2)2(alpha) -Co(FeO2)2 = 2.000Fe+3 + 1.000Co+2 - 8.000H+ + 4.000H2O - log_k 0.770 - delta_h -159.200 #kJ/mol - # Enthalpy of formation: -1139.72 #kJ/mol #74NAU/RYZ - -analytic -2.71206E+1 0E+0 8.31558E+3 0E+0 0E+0 +Co(FeO2)2 = 2 Fe+3 + Co+2 - 8 H+ + 4 H2O + log_k 0.73 + delta_h -161.312 #kJ/mol +# Enthalpy of formation: -1139.720 kJ/mol 74NAU/RYZ + -analytic -27.53065E+0 00E+0 84.25913E+2 00E+0 00E+0 Co(OH)2(s,blue) -Co(OH)2 = 1.000Co+2 - 2.000H+ + 2.000H2O - log_k 13.800 #98PLY/ZHA1 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.38E+1 0E+0 0E+0 0E+0 0E+0 +Co(OH)2 = Co+2 - 2 H+ + 2 H2O + log_k 13.8 #98PLY/ZHA1; Uncertainty by analogy with Co(OH)2(s,rose1). + -analytic 13.8E+0 00E+0 00E+0 00E+0 00E+0 Co(OH)2(s,rose1) -Co(OH)2 = 1.000Co+2 - 2.000H+ + 2.000H2O - log_k 12.200 #98PLY/ZHA1 - delta_h -88.460 #kJ/mol - # Enthalpy of formation: -540.8 #kJ/mol #98PLY/ZHA1 - -analytic -3.2975E+0 0E+0 4.62058E+3 0E+0 0E+0 +Co(OH)2 = Co+2 - 2 H+ + 2 H2O + log_k 12.2 #98PLY/ZHA1 + delta_h -88.46 #kJ/mol +# Enthalpy of formation: -540.800 kJ/mol 98PLY/ZHA1 + -analytic -32.97527E-1 00E+0 46.20588E+2 00E+0 00E+0 Co(OH)2(s,rose2) -Co(OH)2 = 1.000Co+2 - 2.000H+ + 2.000H2O - log_k 13.200 #98PLY/ZHA1 - delta_h -93.560 #kJ/mol - # Enthalpy of formation: -535.7 #kJ/mol #98PLY/ZHA1 - -analytic -3.19098E+0 0E+0 4.88697E+3 0E+0 0E+0 +Co(OH)2 = Co+2 - 2 H+ + 2 H2O + log_k 13.2 #98PLY/ZHA1; Uncertainty by analogy with Co(OH)2(s,rose1). + delta_h -93.56 #kJ/mol +# Enthalpy of formation: -535.700 kJ/mol 98PLY/ZHA1 + -analytic -31.91008E-1 00E+0 48.86979E+2 00E+0 00E+0 Co(SeO3):2H2O(s) -Co(SeO3):2H2O = 1.000Co+2 + 1.000SeO3-2 + 2.000H2O - log_k -7.900 #05OLI/NOL - delta_h -20.860 #kJ/mol - # Enthalpy of formation: -1115.56 #kJ/mol #05OLI/NOL - -analytic -1.15545E+1 0E+0 1.08959E+3 0E+0 0E+0 +Co(SeO3):2H2O = Co+2 + SeO3-2 + 2 H2O + log_k -7.9 #05OLI/NOL + delta_h -20.86 #kJ/mol +# Enthalpy of formation: -1115.560 kJ/mol 05OLI/NOL + -analytic -11.55452E+0 00E+0 10.89594E+2 00E+0 00E+0 Co(SeO4):6H2O(s) -Co(SeO4):6H2O = 1.000Co+2 + 1.000SeO4-2 + 6.000H2O - log_k -1.760 #05OLI/NOL - delta_h -3.299 #kJ/mol - # Enthalpy of formation: -2372.781 #kJ/mol - -analytic -2.33796E+0 0E+0 1.72319E+2 0E+0 0E+0 - -Co(cr) -Co = 1.000Co+2 + 1.000H2O - 2.000H+ - 0.500O2 - log_k 52.730 - delta_h -337.363 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol - -analytic -6.37337E+0 0E+0 1.76217E+4 0E+0 0E+0 +Co(SeO4):6H2O = Co+2 + SeO4-2 + 6 H2O + log_k -1.76 #05OLI/NOL + delta_h -3.4 #kJ/mol +# Enthalpy of formation: -2372.678 kJ/mol + -analytic -23.55654E-1 00E+0 17.75944E+1 00E+0 00E+0 Co0.84Se(cr) -Co0.84Se = 0.840Co+2 - 0.680H+ + 1.000HSe- - 0.160H2O + 0.080O2 - log_k -16.178 - delta_h 66.078 #kJ/mol - # Enthalpy of formation: -55.4 #kJ/mol #05OLI/NOL - -analytic -4.60203E+0 0E+0 -3.45149E+3 0E+0 0E+0 +Co0.84Se = 0.84 Co+2 - H+ - 0.32 e- + HSe- + log_k -9.3 + delta_h 21.316 #kJ/mol +# Enthalpy of formation: -55.400 kJ/mol 05OLI/NOL + -analytic -55.65597E-1 00E+0 -11.13412E+2 00E+0 00E+0 Co2SiO4(s) -Co2SiO4 = 2.000Co+2 - 4.000H+ + 1.000H4(SiO4) - log_k 7.350 - delta_h -99.394 #kJ/mol - # Enthalpy of formation: -1477 #kJ/mol #82WAG/EVA - -analytic -1.00631E+1 0E+0 5.1917E+3 0E+0 0E+0 +Co2SiO4 = 2 Co+2 - 4 H+ + H4(SiO4) + log_k 7.35 + delta_h -99.394 #kJ/mol +# Enthalpy of formation: -1477.000 kJ/mol 82WAG/EVA + -analytic -10.06308E+0 00E+0 51.9171E+2 00E+0 00E+0 Co3(AsO4)2(s) -Co3(AsO4)2 = 3.000Co+2 + 2.000AsO4-3 - log_k -27.560 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.756E+1 0E+0 0E+0 0E+0 0E+0 +Co3(AsO4)2 = 3 Co+2 + 2 AsO4-3 + log_k -27.56 + -analytic -27.56E+0 00E+0 00E+0 00E+0 00E+0 Co3(PO4)2(s) -Co3(PO4)2 = 3.000Co+2 - 4.000H+ + 2.000H2(PO4)- - log_k 4.360 #84VIE/TAR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.36E+0 0E+0 0E+0 0E+0 0E+0 +Co3(PO4)2 = 3 Co+2 - 4 H+ + 2 H2(PO4)- + log_k 4.36 #84VIE/TAR + -analytic 43.6E-1 00E+0 00E+0 00E+0 00E+0 Co3O4(s) -Co3O4 = 3.000Co+2 - 6.000H+ + 3.000H2O + 0.500O2 - log_k 11.870 - delta_h -117.537 #kJ/mol - # Enthalpy of formation: -918.8 #kJ/mol #95ROB/HEM - -analytic -8.72157E+0 0E+0 6.13938E+3 0E+0 0E+0 +Co3O4 = 3 Co+2 - 8 H+ - 2 e- + 4 H2O + log_k 54.86 + delta_h -397.32 #kJ/mol +# Enthalpy of formation: -918.800 kJ/mol 95ROB/HEM + -analytic -14.74748E+0 00E+0 20.75347E+3 00E+0 00E+0 CoCl2(s) -CoCl2 = 1.000Co+2 + 2.000Cl- - log_k 8.470 - delta_h -79.220 #kJ/mol - # Enthalpy of formation: -312.54 #kJ/mol #98CHA - -analytic -5.40873E+0 0E+0 4.13794E+3 0E+0 0E+0 +CoCl2 = Co+2 + 2 Cl- + log_k 8.47 + delta_h -79.22 #kJ/mol +# Enthalpy of formation: -312.540 kJ/mol 98CHA + -analytic -54.08748E-1 00E+0 41.37949E+2 00E+0 00E+0 CoCl2:6H2O(s) -CoCl2:6H2O = 1.000Co+2 + 2.000Cl- + 6.000H2O - log_k 2.540 #97MAR/SMI - delta_h 8.060 #kJ/mol #97MAR/SMI - # Enthalpy of formation: -2114.8 #kJ/mol - -analytic 3.95205E+0 0E+0 -4.21003E+2 0E+0 0E+0 +CoCl2:6H2O = Co+2 + 2 Cl- + 6 H2O + log_k 2.54 #97MAR/SMI + delta_h 8.06 #kJ/mol 97MAR/SMI +# Enthalpy of formation: -2114.800 kJ/mol + -analytic 39.52051E-1 00E+0 -42.10031E+1 00E+0 00E+0 CoF2(s) -CoF2 = 1.000Co+2 + 2.000F- - log_k -1.390 - delta_h -56.770 #kJ/mol - # Enthalpy of formation: -671.53 #kJ/mol #98CHA - -analytic -1.13357E+1 0E+0 2.9653E+3 0E+0 0E+0 +CoF2 = Co+2 + 2 F- + log_k -1.39 + delta_h -56.77 #kJ/mol +# Enthalpy of formation: -671.530 kJ/mol 98CHA + -analytic -11.33568E+0 00E+0 29.65304E+2 00E+0 00E+0 + +Coffinite +U(SiO4) = U+4 - 4 H+ + H4(SiO4) + log_k -4.47 + delta_h -78.577 #kJ/mol +# Enthalpy of formation: -1973.817 kJ/mol + -analytic -18.2361E+0 00E+0 41.04363E+2 00E+0 00E+0 CoHPO4(s) -CoHPO4 = 1.000Co+2 - 1.000H+ + 1.000H2(PO4)- - log_k 0.490 #84VIE/TAR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.9E-1 0E+0 0E+0 0E+0 0E+0 +CoHPO4 = Co+2 - H+ + H2(PO4)- + log_k 0.49 #84VIE/TAR + -analytic 49E-2 00E+0 00E+0 00E+0 00E+0 + +Compreignacite +K2(UO2)6O4(OH)6:7H2O = 2 K+ + 6 UO2+2 - 14 H+ + 17 H2O + log_k 35.8 #08GOR/FEI + -analytic 35.8E+0 00E+0 00E+0 00E+0 00E+0 CoO(s) -CoO = 1.000Co+2 - 2.000H+ + 1.000H2O - log_k 13.770 - delta_h -105.530 #kJ/mol - # Enthalpy of formation: -237.9 #kJ/mol #95ROB/HEM - -analytic -4.71804E+0 0E+0 5.51221E+3 0E+0 0E+0 +CoO = Co+2 - 2 H+ + H2O + log_k 13.77 + delta_h -105.53 #kJ/mol +# Enthalpy of formation: -237.900 kJ/mol 95ROB/HEM + -analytic -47.18062E-1 00E+0 55.12216E+2 00E+0 00E+0 + +Corundum +Al2O3 = 2 Al+3 - 6 H+ + 3 H2O + log_k 18.3 + delta_h -258.59 #kJ/mol +# Enthalpy of formation: -1675.700 kJ/mol 89COX/WAG + -analytic -27.00302E+0 00E+0 13.5071E+3 00E+0 00E+0 CoS(alpha) -CoS = 1.000Co+2 - 1.000H+ + 1.000HS- - log_k -7.440 #90DYR/KRE - delta_h 11.836 #kJ/mol - # Enthalpy of formation: -85.736 #kJ/mol - -analytic -5.36642E+0 0E+0 -6.18236E+2 0E+0 0E+0 +CoS = Co+2 - H+ + HS- + log_k -7.44 #90DYR/KRE + delta_h 11.836 #kJ/mol +# Enthalpy of formation: -85.735 kJ/mol + -analytic -53.66422E-1 00E+0 -61.82373E+1 00E+0 00E+0 CoS(beta) -CoS = 1.000Co+2 - 1.000H+ + 1.000HS- - log_k -11.070 #90DYR/KRE - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.107E+1 0E+0 0E+0 0E+0 0E+0 +CoS = Co+2 - H+ + HS- + log_k -11.07 #90DYR/KRE + -analytic -11.07E+0 00E+0 00E+0 00E+0 00E+0 + +CoSe2(cr) +CoSe2 = Co+2 - 2 H+ - 2 e- + 2 HSe- + log_k -23.09 + delta_h 76.5 #kJ/mol +# Enthalpy of formation: -105.500 kJ/mol 05OLI/NOL + -analytic -96.87775E-1 00E+0 -39.95873E+2 00E+0 00E+0 CoSO4(s) -CoSO4 = 1.000Co+2 + 1.000SO4-2 - log_k 3.010 - delta_h -78.680 #kJ/mol - # Enthalpy of formation: -888.26 #kJ/mol #98CHA - -analytic -1.07741E+1 0E+0 4.10974E+3 0E+0 0E+0 +CoSO4 = Co+2 + SO4-2 + log_k 3.01 + delta_h -78.68 #kJ/mol +# Enthalpy of formation: -888.260 kJ/mol 98CHA + -analytic -10.77414E+0 00E+0 41.09743E+2 00E+0 00E+0 CoSO4:6H2O(s) -CoSO4:6H2O = 1.000Co+2 + 1.000SO4-2 + 6.000H2O - log_k -2.200 - delta_h 1.570 #kJ/mol - # Enthalpy of formation: -2683.49 #kJ/mol #74NAU/RYZ - -analytic -1.92495E+0 0E+0 -8.20067E+1 0E+0 0E+0 +CoSO4:6H2O = Co+2 + SO4-2 + 6 H2O + log_k -2.2 + delta_h 1.57 #kJ/mol +# Enthalpy of formation: -2683.490 kJ/mol 74NAU/RYZ + -analytic -19.24948E-1 00E+0 -82.00681E+0 00E+0 00E+0 CoSO4:H2O(s) -CoSO4:H2O = 1.000Co+2 + 1.000SO4-2 + 1.000H2O - log_k -1.050 - delta_h -52.050 #kJ/mol - # Enthalpy of formation: -1200.72 #kJ/mol #74NAU/RYZ - -analytic -1.01688E+1 0E+0 2.71876E+3 0E+0 0E+0 - -CoSe2(cr) -CoSe2 = 1.000Co+2 + 2.000HSe- - 1.000H2O + 0.500O2 - log_k -66.080 - delta_h 356.263 #kJ/mol - # Enthalpy of formation: -105.5 #kJ/mol #05OLI/NOL - -analytic -3.66549E+0 0E+0 -1.86089E+4 0E+0 0E+0 - -Coffinite -U(SiO4) = 1.000U+4 - 4.000H+ + 1.000H4(SiO4) - log_k -7.800 - delta_h -61.070 #kJ/mol - # Enthalpy of formation: -1991.326 #kJ/mol - -analytic -1.8499E+1 0E+0 3.1899E+3 0E+0 0E+0 - -Coffinite(am) -U(SiO4) = 1.000U+4 - 4.000H+ + 1.000H4(SiO4) - log_k -1.500 #Estimation based on NEA Guidelines - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.5E+0 0E+0 0E+0 0E+0 0E+0 - -Compreignacite -K2(UO2)6O4(OH)6:7H2O = 2.000K+ + 6.000UO2+2 - 14.000H+ + 17.000H2O - log_k 35.800 #08GOR/FEI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.58E+1 0E+0 0E+0 0E+0 0E+0 - -Corundum -Al2O3 = 2.000Al+3 - 6.000H+ + 3.000H2O - log_k 18.300 - delta_h -258.590 #kJ/mol - # Enthalpy of formation: -1675.7 #kJ/mol #89COX/WAG - -analytic -2.7003E+1 0E+0 1.35071E+4 0E+0 0E+0 +CoSO4:H2O = Co+2 + SO4-2 + H2O + log_k -1.05 + delta_h -52.05 #kJ/mol +# Enthalpy of formation: -1200.720 kJ/mol 74NAU/RYZ + -analytic -10.16877E+0 00E+0 27.18761E+2 00E+0 00E+0 Cotunnite -PbCl2 = 1.000Pb+2 + 2.000Cl- - log_k -4.810 - delta_h 26.160 #kJ/mol - # Enthalpy of formation: -359.4 #kJ/mol #98CHA - -analytic -2.26971E-1 0E+0 -1.36643E+3 0E+0 0E+0 - -Cr(OH)2(H2PO4)(s) -Cr(OH)2(H2PO4) = 1.000H2(PO4)- + 1.000Cr+3 + 2.000H2O - 2.000H+ - log_k 0.890 #04RAI/MOO - delta_h -5.080 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.3509E-5 0E+0 2.65346E+2 0E+0 0E+0 +PbCl2 = Pb+2 + 2 Cl- + log_k -4.81 + delta_h 26.16 #kJ/mol +# Enthalpy of formation: -359.400 kJ/mol 98CHA + -analytic -22.69647E-2 00E+0 -13.66432E+2 00E+0 00E+0 + +Covellite +CuS = Cu+2 - H+ + HS- + log_k -22.06 #94THO/HEL + delta_h 97.475 #kJ/mol +# Enthalpy of formation: -48.875 kJ/mol + -analytic -49.83113E-1 00E+0 -50.91474E+2 00E+0 00E+0 + +Cr(cr) +Cr = 8 H+ + 6 e- + CrO4-2 - 4 H2O + log_k -39.31 + delta_h 264.32 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 98CHA, 04CHI + -analytic 69.96876E-1 00E+0 -13.8064E+3 00E+0 00E+0 Cr(OH)2(cr) -Cr(OH)2 = - 2.000H+ + 1.000Cr+2 + 2.000H2O - log_k 11.000 #41HUM/STO, 04CHI - delta_h -75.459 #kJ/mol - # Enthalpy of formation: -653.82 #kJ/mol - -analytic -2.21983E+0 0E+0 3.94149E+3 0E+0 0E+0 +Cr(OH)2 = -2 H+ + Cr+2 + 2 H2O + log_k 11 #41HUM/STO, 04CHI + delta_h -75.459 #kJ/mol +# Enthalpy of formation: -653.814 kJ/mol + -analytic -22.19849E-1 00E+0 39.41498E+2 00E+0 00E+0 + +Cr(OH)2(H2PO4)(s) +Cr(OH)2(H2PO4) = -2 H+ + H2(PO4)- + Cr+3 + 2 H2O + log_k 0.89 #04RAI/MOO + -analytic 89E-2 00E+0 00E+0 00E+0 00E+0 Cr(OH)3(cr) -Cr(OH)3 = - 3.000H+ + 1.000Cr+3 + 3.000H2O - log_k 7.500 #04RAI/MOO - delta_h -104.751 #kJ/mol - # Enthalpy of formation: -993.238 #kJ/mol - -analytic -1.08516E+1 0E+0 5.47152E+3 0E+0 0E+0 - -Cr(s) -Cr = 2.000H+ + 1.000CrO4-2 - 1.000H2O - 1.500O2 - log_k 89.660 - delta_h -574.989 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol - -analytic -1.10736E+1 0E+0 3.00337E+4 0E+0 0E+0 +Cr(OH)3 = -3 H+ + Cr+3 + 3 H2O + log_k 7.5 #04RAI/MOO + delta_h -104.751 #kJ/mol +# Enthalpy of formation: -993.239 kJ/mol + -analytic -10.85159E+0 00E+0 54.71526E+2 00E+0 00E+0 Cr2(SO4)3(s) -Cr2(SO4)3 = 3.000SO4-2 + 2.000Cr+3 - log_k 4.380 - delta_h -277.720 #kJ/mol - # Enthalpy of formation: -2931.3 #kJ/mol #91KNA/KUB - -analytic -4.42744E+1 0E+0 1.45063E+4 0E+0 0E+0 +Cr2(SO4)3 = 3 SO4-2 + 2 Cr+3 + log_k 4.38 + delta_h -277.72 #kJ/mol +# Enthalpy of formation: -2931.300 kJ/mol 91KNA/KUB + -analytic -44.27446E+0 00E+0 14.50633E+3 00E+0 00E+0 Cr2O3(cr) -Cr2O3 = - 6.000H+ + 2.000Cr+3 + 3.000H2O - log_k 7.750 - delta_h -198.000 #kJ/mol - # Enthalpy of formation: -1140.5 #kJ/mol #04CHI - -analytic -2.69381E+1 0E+0 1.03422E+4 0E+0 0E+0 +Cr2O3 = -6 H+ + 2 Cr+3 + 3 H2O + log_k 7.75 + delta_h -197.99 #kJ/mol +# Enthalpy of formation: -1140.500 kJ/mol 04CHI + -analytic -26.93636E+0 00E+0 10.34174E+3 00E+0 00E+0 Cr2S3(s) -Cr2S3 = - 3.000H+ + 3.000HS- + 2.000Cr+3 - log_k 3.260 - delta_h -195.200 #kJ/mol - # Enthalpy of formation: -334.7 #kJ/mol #84PAN - -analytic -3.09375E+1 0E+0 1.0196E+4 0E+0 0E+0 +Cr2S3 = -3 H+ + 3 HS- + 2 Cr+3 + log_k 3.26 + delta_h -195.2 #kJ/mol +# Enthalpy of formation: -334.700 kJ/mol 84PAN + -analytic -30.93757E+0 00E+0 10.19601E+3 00E+0 00E+0 CrCl2(cr) -CrCl2 = 2.000Cl- + 1.000Cr+2 - log_k 12.730 - delta_h -103.500 #kJ/mol - # Enthalpy of formation: -388.3 #kJ/mol #98BAL/NOR - -analytic -5.4024E+0 0E+0 5.40617E+3 0E+0 0E+0 +CrCl2 = 2 Cl- + Cr+2 + log_k 12.73 + delta_h -103.474 #kJ/mol +# Enthalpy of formation: -388.300 kJ/mol 98BAL/NOR + -analytic -53.97867E-1 00E+0 54.04823E+2 00E+0 00E+0 CrCl3(cr) -CrCl3 = 3.000Cl- + 1.000Cr+3 - log_k 20.190 - delta_h -197.300 #kJ/mol - # Enthalpy of formation: -544.4 #kJ/mol #98BAL/NOR - -analytic -1.43754E+1 0E+0 1.03057E+4 0E+0 0E+0 +CrCl3 = 3 Cl- + Cr+3 + log_k 20.19 + delta_h -197.34 #kJ/mol +# Enthalpy of formation: -544.400 kJ/mol 98BAL/NOR + -analytic -14.38248E+0 00E+0 10.30779E+3 00E+0 00E+0 + +Cristobalite +SiO2 = H4(SiO4) - 2 H2O + log_k -3.16 + delta_h 16.5 #kJ/mol +# Enthalpy of formation: -906.034 kJ/mol 04FAB/SAX + -analytic -26.93241E-2 00E+0 -86.1855E+1 00E+0 00E+0 CrO2(cr) -CrO2 = 2.000H+ + 1.000CrO4-2 - 1.000H2O - 0.500O2 - log_k -8.690 - delta_h 10.797 #kJ/mol - # Enthalpy of formation: -597.9 #kJ/mol #93BAR, 04CHI - -analytic -6.79845E+0 0E+0 -5.63966E+2 0E+0 0E+0 +CrO2 = 4 H+ + 2 e- + CrO4-2 - 2 H2O + log_k -51.68 + delta_h 290.56 #kJ/mol +# Enthalpy of formation: -597.900 kJ/mol 93BAR, 04CHI + -analytic -77.60731E-2 00E+0 -15.17701E+3 00E+0 00E+0 CrO3(cr) -CrO3 = 2.000H+ + 1.000CrO4-2 - 1.000H2O - log_k -3.020 - delta_h -10.070 #kJ/mol - # Enthalpy of formation: -583.1 #kJ/mol #98BAL/NOR, 04CHI - -analytic -4.78419E+0 0E+0 5.25992E+2 0E+0 0E+0 +CrO3 = 2 H+ + CrO4-2 - H2O + log_k -3.02 + delta_h -10.07 #kJ/mol +# Enthalpy of formation: -583.100 kJ/mol 98BAL/NOR, 04CHI + -analytic -47.84188E-1 00E+0 52.59927E+1 00E+0 00E+0 + +Crocoite +PbCrO4 = Pb+2 + CrO4-2 + log_k -12.55 #42KOL/PER + delta_h 48.94 #kJ/mol +# Enthalpy of formation: -927.020 kJ/mol 75DEL/MCC + -analytic -39.7608E-1 00E+0 -25.56314E+2 00E+0 00E+0 + +Cronstedtite-Th +Fe4SiO5(OH)4 = 2 Fe+3 + 2 Fe+2 - 10 H+ + H4(SiO4) + 5 H2O + log_k 16.11 + delta_h -256.496 #kJ/mol +# Enthalpy of formation: -2914.550 kJ/mol 15BLA/VIE + -analytic -28.82617E+0 00E+0 13.39772E+3 00E+0 00E+0 + -Vm 76.8 CrPO4(green) -CrPO4 = - 2.000H+ + 1.000H2(PO4)- + 1.000Cr+3 - log_k -3.060 #51ZHA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.06E+0 0E+0 0E+0 0E+0 0E+0 +CrPO4 = -2 H+ + H2(PO4)- + Cr+3 + log_k -3.06 #51ZHA + -analytic -30.6E-1 00E+0 00E+0 00E+0 00E+0 CrPO4(purple) -CrPO4 = - 2.000H+ + 1.000H2(PO4)- + 1.000Cr+3 - log_k 2.560 #51ZHA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.56E+0 0E+0 0E+0 0E+0 0E+0 +CrPO4 = -2 H+ + H2(PO4)- + Cr+3 + log_k 2.56 #51ZHA + -analytic 25.6E-1 00E+0 00E+0 00E+0 00E+0 CrS(s) -CrS = - 1.000H+ + 1.000HS- + 1.000Cr+2 - log_k 1.660 - delta_h -38.800 #kJ/mol - # Enthalpy of formation: -135.143 #kJ/mol #84PAN - -analytic -5.13746E+0 0E+0 2.02666E+3 0E+0 0E+0 - -Cristobalite -SiO2 = 1.000H4(SiO4) - 2.000H2O - log_k -3.160 - delta_h 16.500 #kJ/mol - # Enthalpy of formation: -906.034 #kJ/mol #04FAB/SAX - -analytic -2.69328E-1 0E+0 -8.61854E+2 0E+0 0E+0 - -Crocoite -PbCrO4 = 1.000Pb+2 + 1.000CrO4-2 - log_k -12.550 #42KOL/PER - delta_h 48.940 #kJ/mol - # Enthalpy of formation: -927.02 #kJ/mol #75DEL/MCC - -analytic -3.97609E+0 0E+0 -2.55631E+3 0E+0 0E+0 - -Cronstedtite-Th -Fe4SiO5(OH)4 = 2.000Fe+3 + 2.000Fe+2 - 10.000H+ + 1.000H4(SiO4) + 5.000H2O - log_k 16.110 - delta_h -253.794 #kJ/mol - # Enthalpy of formation: -2914.55 #kJ/mol #15BLA/VIE - -analytic -2.83527E+1 0E+0 1.32566E+4 0E+0 0E+0 - -Cs(s) -Cs = 1.000Cs+ + 0.500H2O - 1.000H+ - 0.250O2 - log_k 72.555 - delta_h -397.882 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #92GRE/FUG - -analytic 2.84926E+0 0E+0 2.07828E+4 0E+0 0E+0 +CrS = - H+ + HS- + Cr+2 + log_k 1.66 + delta_h -38.771 #kJ/mol +# Enthalpy of formation: -135.143 kJ/mol 84PAN + -analytic -51.32388E-1 00E+0 20.2515E+2 00E+0 00E+0 + +Cs(cr) +Cs = Cs+ + e- + log_k 51.06 + delta_h -258 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 92GRE/FUG + -analytic 58.6034E-1 00E+0 13.47628E+3 00E+0 00E+0 Cs2(CO3)(s) -Cs2(CO3) = 2.000Cs+ + 1.000CO3-2 - log_k 9.900 - delta_h -55.348 #kJ/mol - # Enthalpy of formation: -1135.882 #kJ/mol - -analytic 2.03461E-1 0E+0 2.89102E+3 0E+0 0E+0 +Cs2(CO3) = 2 Cs+ + CO3-2 + log_k 9.9 + delta_h -53.609 #kJ/mol +# Enthalpy of formation: -1137.620 kJ/mol + -analytic 50.81064E-2 00E+0 28.00193E+2 00E+0 00E+0 Cs2(SO4)(s) -Cs2(SO4) = 2.000Cs+ + 1.000SO4-2 - log_k 0.580 - delta_h 17.756 #kJ/mol - # Enthalpy of formation: -1443.096 #kJ/mol - -analytic 3.69071E+0 0E+0 -9.27459E+2 0E+0 0E+0 +Cs2(SO4) = 2 Cs+ + SO4-2 + log_k 0.58 + delta_h 17.769 #kJ/mol +# Enthalpy of formation: -1443.108 kJ/mol + -analytic 36.92995E-1 00E+0 -92.81395E+1 00E+0 00E+0 Cs2MoO4(s) -Cs2MoO4 = 2.000Cs+ + 1.000MoO4-2 - log_k 2.210 - delta_h 1.581 #kJ/mol - # Enthalpy of formation: -1514.581 #kJ/mol - -analytic 2.48698E+0 0E+0 -8.25813E+1 0E+0 0E+0 +Cs2MoO4 = 2 Cs+ + MoO4-2 + log_k 2.21 + delta_h 1.731 #kJ/mol +# Enthalpy of formation: -1514.730 kJ/mol + -analytic 25.13258E-1 00E+0 -90.41643E+0 00E+0 00E+0 Cs2O(s) -Cs2O = 2.000Cs+ - 2.000H+ + 1.000H2O - log_k 89.680 - delta_h -456.100 #kJ/mol - # Enthalpy of formation: -345.73 #kJ/mol - -analytic 9.77483E+0 0E+0 2.38237E+4 0E+0 0E+0 +Cs2O = 2 Cs+ - 2 H+ + H2O + log_k 89.68 + delta_h -456.069 #kJ/mol +# Enthalpy of formation: -345.759 kJ/mol + -analytic 97.80141E-1 00E+0 23.82214E+3 00E+0 00E+0 CsBr(cr) -CsBr = 1.000Cs+ + 1.000Br- - log_k 0.720 - delta_h 26.190 #kJ/mol - # Enthalpy of formation: -405.6 #kJ/mol #01LEM/FUG - -analytic 5.30828E+0 0E+0 -1.368E+3 0E+0 0E+0 +CsBr = Cs+ + Br- + log_k 0.72 + delta_h 26.19 #kJ/mol +# Enthalpy of formation: -405.600 kJ/mol 01LEM/FUG + -analytic 53.08291E-1 00E+0 -13.67999E+2 00E+0 00E+0 CsCl(cr) -CsCl = 1.000Cs+ + 1.000Cl- - log_k 1.550 - delta_h 17.230 #kJ/mol - # Enthalpy of formation: -442.31 #kJ/mol #01LEM/FUG - -analytic 4.56856E+0 0E+0 -8.99984E+2 0E+0 0E+0 +CsCl = Cs+ + Cl- + log_k 1.55 + delta_h 17.23 #kJ/mol +# Enthalpy of formation: -442.310 kJ/mol 01LEM/FUG + -analytic 45.68566E-1 00E+0 -89.99856E+1 00E+0 00E+0 -Cu(SeO3):2H2O(s) -Cu(SeO3):2H2O = 1.000Cu+2 + 1.000SeO3-2 + 2.000H2O - log_k -9.500 #Average value from 56CHU2 and 93SLA/POP in 05OLI/NOL - delta_h -15.320 #kJ/mol - # Enthalpy of formation: -998.6 #kJ/mol #05OLI/NOL - -analytic -1.21839E+1 0E+0 8.00218E+2 0E+0 0E+0 +CSH0.8 +Ca0.8SiO2.8:1.54H2O = 0.8 Ca+2 - 1.6 H+ + H4(SiO4) + 0.34 H2O + log_k 11.05 #10BLA/BOU1 + delta_h -47.646 #kJ/mol +# Enthalpy of formation: -1945.130 kJ/mol 10BLA/BOU1 + -analytic 27.02779E-1 00E+0 24.88724E+2 00E+0 00E+0 + -Vm 59.29 -Cu(SeO4):5H2O(s) -Cu(SeO4):5H2O = 1.000Cu+2 + 1.000SeO4-2 + 5.000H2O - log_k -2.440 #05OLI/NOL - delta_h 5.580 #kJ/mol - # Enthalpy of formation: -1973.33 #kJ/mol #05OLI/NOL - -analytic -1.46243E+0 0E+0 -2.91463E+2 0E+0 0E+0 +CSH1.2 +Ca1.2SiO3.2:2.06H2O = 1.2 Ca+2 - 2.4 H+ + H4(SiO4) + 1.26 H2O + log_k 19.3 #10BLA/BOU1 + delta_h -88.6 #kJ/mol +# Enthalpy of formation: -2384.340 kJ/mol 10BLA/BOU1 + -analytic 37.77946E-1 00E+0 46.279E+2 00E+0 00E+0 + -Vm 71.95 + +CSH1.6 +Ca1.6SiO3.6:2.58H2O = 1.6 Ca+2 - 3.2 H+ + H4(SiO4) + 2.18 H2O + log_k 28 #10BLA/BOU1 + delta_h -133.313 #kJ/mol +# Enthalpy of formation: -2819.790 kJ/mol 10BLA/BOU1 + -analytic 46.44565E-1 00E+0 69.63423E+2 00E+0 00E+0 + -Vm 84.68 Cu(cr) -Cu = 1.000Cu+2 + 1.000H2O - 2.000H+ - 0.500O2 - log_k 31.600 - delta_h -214.863 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #01LEM/FUG - -analytic -6.04233E+0 0E+0 1.12231E+4 0E+0 0E+0 +Cu = Cu+2 + 2 e- + log_k -11.39 + delta_h 64.9 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 01LEM/FUG + -analytic -20.00807E-3 00E+0 -33.89963E+2 00E+0 00E+0 + +Cu(OH)2(s) +Cu(OH)2 = Cu+2 - 2 H+ + 2 H2O + log_k 8.64 #97BEV/PUI + delta_h -62.764 #kJ/mol +# Enthalpy of formation: -443.996 kJ/mol + -analytic -23.55781E-1 00E+0 32.78392E+2 00E+0 00E+0 + +Cu(SeO3):2H2O(s) +Cu(SeO3):2H2O = Cu+2 + SeO3-2 + 2 H2O + log_k -9.5 #Average value from 56CHU2 and 93SLA/POP in 05OLI/NOL + delta_h -15.32 #kJ/mol +# Enthalpy of formation: -998.600 kJ/mol 05OLI/NOL + -analytic -12.18395E+0 00E+0 80.02193E+1 00E+0 00E+0 + +Cu(SeO4):5H2O(s) +Cu(SeO4):5H2O = Cu+2 + SeO4-2 + 5 H2O + log_k -2.44 #05OLI/NOL + delta_h 5.58 #kJ/mol +# Enthalpy of formation: -1973.330 kJ/mol 05OLI/NOL + -analytic -14.62426E-1 00E+0 -29.14637E+1 00E+0 00E+0 + +Cu1.75S(cr) +Cu1.75S = 0.25 Cu+2 + 1.5 Cu+ - H+ + HS- + log_k -31.22 #94THO/HEL + delta_h 179.717 #kJ/mol +# Enthalpy of formation: -73.910 kJ/mol + -analytic 26.50669E-2 00E+0 -93.87273E+2 00E+0 00E+0 + +Cu1.934S(cr) +Cu1.934S = 0.066 Cu+2 + 1.868 Cu+ - H+ + HS- + log_k -33.33 #94THO/HEL + delta_h 198.224 #kJ/mol +# Enthalpy of formation: -78.382 kJ/mol + -analytic 13.97354E-1 00E+0 -10.35396E+3 00E+0 00E+0 + +Cu2Cl(OH)3(am) +Cu2Cl(OH)3 = 2 Cu+2 - 3 H+ + Cl- + 3 H2O + log_k 7.46 #00PUI/TAX + delta_h -79.445 #kJ/mol 97LUB/KOL +# Enthalpy of formation: -815.325 kJ/mol + -analytic -64.58167E-1 00E+0 41.49701E+2 00E+0 00E+0 + +Cu2Cl(OH)3(s) +Cu2Cl(OH)3 = 2 Cu+2 - 3 H+ + Cl- + 3 H2O + log_k 6.9 #97LUB/KOL + delta_h -79.445 #kJ/mol 97LUB/KOL +# Enthalpy of formation: -815.325 kJ/mol + -analytic -70.18167E-1 00E+0 41.49701E+2 00E+0 00E+0 + +Cu2O(cr) +Cu2O = 2 Cu+ - 2 H+ + H2O + log_k -0.62 #11PAL + delta_h 18.446 #kJ/mol +# Enthalpy of formation: -163.099 kJ/mol + -analytic 26.116E-1 00E+0 -96.35017E+1 00E+0 00E+0 Cu2Se(alfa) -Cu2Se = 2.000Cu+ - 1.000H+ + 1.000HSe- - log_k -45.890 #01SEB/POT2 - delta_h 216.940 #kJ/mol - # Enthalpy of formation: -59.3 #kJ/mol #05OLI/NOL - -analytic -7.8838E+0 0E+0 -1.13315E+4 0E+0 0E+0 +Cu2Se = 2 Cu+ - H+ + HSe- + log_k -45.89 #01SEB/POT2 + delta_h 214.778 #kJ/mol +# Enthalpy of formation: -59.300 kJ/mol 05OLI/NOL + -analytic -82.6251E-1 00E+0 -11.21864E+3 00E+0 00E+0 Cu3(AsO4)2(s) -Cu3(AsO4)2 = 3.000Cu+2 + 2.000AsO4-3 - log_k -34.880 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.488E+1 0E+0 0E+0 0E+0 0E+0 +Cu3(AsO4)2 = 3 Cu+2 + 2 AsO4-3 + log_k -34.88 + -analytic -34.88E+0 00E+0 00E+0 00E+0 00E+0 + +CuCl(s) +CuCl = Cu+ + Cl- + log_k -6.82 #97WAN/ZHA + delta_h 41.579 #kJ/mol +# Enthalpy of formation: -138.070 kJ/mol 85CHA/DAV + -analytic 46.43281E-2 00E+0 -21.71822E+2 00E+0 00E+0 + +CuCO3(s) +CuCO3 = Cu+2 + CO3-2 + log_k -11.45 #99GRA/BER in 00PUI/TAX + delta_h -4.977 #kJ/mol +# Enthalpy of formation: -605.353 kJ/mol + -analytic -12.32193E+0 00E+0 25.99668E+1 00E+0 00E+0 + +CuO(s) +CuO = Cu+2 - 2 H+ + H2O + log_k 7.63 #21RIB/COL from 65SCH/ALT + delta_h -64.616 #kJ/mol +# Enthalpy of formation: -156.313 kJ/mol + -analytic -36.90237E-1 00E+0 33.75129E+2 00E+0 00E+0 CuSe(alfa) -CuSe = 1.000Cu+2 - 1.000H+ + 1.000HSe- - log_k -25.460 - delta_h 118.700 #kJ/mol - # Enthalpy of formation: -39.5 #kJ/mol #05OLI/NOL - -analytic -4.66468E+0 0E+0 -6.20012E+3 0E+0 0E+0 +CuSe = Cu+2 - H+ + HSe- + log_k -25.46 + delta_h 118.7 #kJ/mol +# Enthalpy of formation: -39.500 kJ/mol 05OLI/NOL + -analytic -46.64653E-1 00E+0 -62.00133E+2 00E+0 00E+0 CuSe(beta) -CuSe = 1.000Cu+2 - 1.000H+ + 1.000HSe- - log_k -25.130 - delta_h 116.000 #kJ/mol - # Enthalpy of formation: -36.8 #kJ/mol #05OLI/NOL - -analytic -4.8077E+0 0E+0 -6.05909E+3 0E+0 0E+0 +CuSe = Cu+2 - H+ + HSe- + log_k -25.13 + delta_h 116 #kJ/mol +# Enthalpy of formation: -36.800 kJ/mol 05OLI/NOL + -analytic -48.07672E-1 00E+0 -60.59102E+2 00E+0 00E+0 Dawsonite -NaAl(CO3)(OH)2 = 1.000Na+ + 1.000Al+3 - 2.000H+ + 1.000CO3-2 + 2.000H2O - log_k -6.000 - delta_h -61.630 #kJ/mol - # Enthalpy of formation: -1964 #kJ/mol #76FER/STU - -analytic -1.67971E+1 0E+0 3.21915E+3 0E+0 0E+0 +NaAl(CO3)(OH)2 = Na+ + Al+3 - 2 H+ + CO3-2 + 2 H2O + log_k -6 + delta_h -61.63 #kJ/mol +# Enthalpy of formation: -1964.000 kJ/mol 76FER/STU + -analytic -16.79711E+0 00E+0 32.19159E+2 00E+0 00E+0 + -Vm 59.3 Diaspore -AlO(OH) = 1.000Al+3 - 3.000H+ + 2.000H2O - log_k 6.860 - delta_h -108.760 #kJ/mol - # Enthalpy of formation: -1001.3 #kJ/mol #95ROB/HEM - -analytic -1.21939E+1 0E+0 5.68092E+3 0E+0 0E+0 +AlO(OH) = Al+3 - 3 H+ + 2 H2O + log_k 6.87 + delta_h -108.76 #kJ/mol +# Enthalpy of formation: -1001.300 kJ/mol 95ROB/HEM + -analytic -12.18393E+0 00E+0 56.8093E+2 00E+0 00E+0 Dickite -Al2Si2O5(OH)4 = 2.000Al+3 - 6.000H+ + 2.000H4(SiO4) + 1.000H2O - log_k 9.390 - delta_h -185.218 #kJ/mol - # Enthalpy of formation: -4099.8 #kJ/mol #03FIA/MAJ - -analytic -2.30588E+1 0E+0 9.6746E+3 0E+0 0E+0 +Al2Si2O5(OH)4 = 2 Al+3 - 6 H+ + 2 H4(SiO4) + H2O + log_k 9.39 + delta_h -185.218 #kJ/mol +# Enthalpy of formation: -4099.800 kJ/mol 03FIA/MAJ + -analytic -23.0588E+0 00E+0 96.7461E+2 00E+0 00E+0 Dolomite -CaMg(CO3)2 = 1.000Ca+2 + 1.000Mg+2 + 2.000CO3-2 - log_k -17.120 - delta_h -35.960 #kJ/mol - # Enthalpy of formation: -2324.5 #kJ/mol #95ROB/HEM - -analytic -2.34199E+1 0E+0 1.87832E+3 0E+0 0E+0 +CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2 + log_k -17.13 + delta_h -35.96 #kJ/mol +# Enthalpy of formation: -2324.500 kJ/mol 95ROB/HEM + -analytic -23.42992E+0 00E+0 18.78322E+2 00E+0 00E+0 + -Vm 64.37 Downeyite -SeO2 = 2.000H+ + 1.000SeO3-2 - 1.000H2O - log_k -8.150 - delta_h 4.060 #kJ/mol - # Enthalpy of formation: -225.39 #kJ/mol #05OLI/NOL - -analytic -7.43872E+0 0E+0 -2.12068E+2 0E+0 0E+0 +SeO2 = 2 H+ + SeO3-2 - H2O + log_k -8.15 + delta_h 4.06 #kJ/mol +# Enthalpy of formation: -225.390 kJ/mol 05OLI/NOL + -analytic -74.38719E-1 00E+0 -21.20686E+1 00E+0 00E+0 Eastonite -KMg2Al3Si2O10(OH)2 = 2.000Mg+2 + 1.000K+ + 3.000Al+3 - 14.000H+ + 2.000H4(SiO4) + 4.000H2O - log_k 46.320 - delta_h -518.108 #kJ/mol - # Enthalpy of formation: -6348.94 #kJ/mol #98HOL/POW - -analytic -4.44485E+1 0E+0 2.70626E+4 0E+0 0E+0 +KMg2Al3Si2O10(OH)2 = 2 Mg+2 + K+ + 3 Al+3 - 14 H+ + 2 H4(SiO4) + 4 H2O + log_k 46.3 + delta_h -518.108 #kJ/mol +# Enthalpy of formation: -6348.940 kJ/mol 98HOL/POW + -analytic -44.46863E+0 00E+0 27.06267E+3 00E+0 00E+0 + -Vm 147.51 Epsonite -Mg(SO4):7H2O = 1.000Mg+2 + 1.000SO4-2 + 7.000H2O - log_k -1.880 #84HAR/MOL - delta_h 10.990 #kJ/mol - # Enthalpy of formation: -3388.14 #kJ/mol - -analytic 4.53625E-2 0E+0 -5.74047E+2 0E+0 0E+0 +Mg(SO4):7H2O = Mg+2 + SO4-2 + 7 H2O + log_k -1.88 #84HAR/MOL + delta_h 10.99 #kJ/mol +# Enthalpy of formation: -3388.138 kJ/mol + -analytic 45.36535E-3 00E+0 -57.40477E+1 00E+0 00E+0 Ettringite -Ca6Al2(SO4)3(OH)12:26H2O = 6.000Ca+2 + 2.000Al+3 - 12.000H+ + 3.000SO4-2 + 38.000H2O - log_k 56.970 #10BLA/BOU2 - delta_h -379.830 #kJ/mol - # Enthalpy of formation: -17544.53 #kJ/mol #10BLA/BOU2 - -analytic -9.57326E+0 0E+0 1.98399E+4 0E+0 0E+0 +Ca6Al2(SO4)3(OH)12:26H2O = 6 Ca+2 + 2 Al+3 - 12 H+ + 3 SO4-2 + 38 H2O + log_k 56.97 #10BLA/BOU2 + delta_h -379.83 #kJ/mol +# Enthalpy of formation: -17544.530kJ/mol 10BLA/BOU2 + -analytic -95.7336E-1 00E+0 19.8399E+3 00E+0 00E+0 + -Vm 710.32 Ettringite-Fe -Ca6Fe2(SO4)3(OH)12:26H2O = 6.000Ca+2 + 2.000Fe+3 - 12.000H+ + 3.000SO4-2 + 38.000H2O - log_k 54.550 #10BLA/BOU2 - delta_h -343.754 #kJ/mol - # Enthalpy of formation: -16601.806 #kJ/mol - -analytic -5.67303E+0 0E+0 1.79555E+4 0E+0 0E+0 - -Eu(CO3)(OH)(cr) -Eu(CO3)(OH) = 1.000Eu+3 - 1.000H+ + 1.000CO3-2 + 1.000H2O - log_k -9.630 - delta_h -43.391 #kJ/mol - # Enthalpy of formation: -1523 #kJ/mol #05ROR/FUG - -analytic -1.72318E+1 0E+0 2.26647E+3 0E+0 0E+0 - -Eu(CO3)(OH):0.5H2O(s) -Eu(CO3)(OH):0.5H2O = 1.000Eu+3 - 1.000H+ + 1.000CO3-2 + 1.500H2O - log_k -7.800 #95SPA/BRU - delta_h -55.906 #kJ/mol - # Enthalpy of formation: -1653.4 #kJ/mol #05ROR/FUG - -analytic -1.75943E+1 0E+0 2.92017E+3 0E+0 0E+0 +Ca6Fe2(SO4)3(OH)12:26H2O = 6 Ca+2 + 2 Fe+3 - 12 H+ + 3 SO4-2 + 38 H2O + log_k 54.55 #10BLA/BOU2 + delta_h -346.706 #kJ/mol +# Enthalpy of formation: -16600.951kJ/mol + -analytic -61.90284E-1 00E+0 18.10972E+3 00E+0 00E+0 + -Vm 711.8 + +Eu(cr) +Eu = Eu+3 + 3 e- + log_k 100.64 + delta_h -605.325 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 82WAG/EVA + -analytic -54.08388E-1 00E+0 31.61833E+3 00E+0 00E+0 Eu(NO3)3:6H2O(s) -Eu(NO3)3:6H2O = 1.000Eu+3 + 3.000NO3- + 6.000H2O - log_k 1.840 #95SPA/BRU - delta_h 16.839 #kJ/mol - # Enthalpy of formation: -2957.7 #kJ/mol #82WAG/EVA - -analytic 4.79006E+0 0E+0 -8.79561E+2 0E+0 0E+0 +Eu(NO3)3:6H2O = Eu+3 + 3 NO3- + 6 H2O + log_k 1.84 #95SPA/BRU + delta_h 16.845 #kJ/mol +# Enthalpy of formation: -2957.700 kJ/mol 82WAG/EVA + -analytic 47.91117E-1 00E+0 -87.98756E+1 00E+0 00E+0 Eu(OH)3(am) -Eu(OH)3 = 1.000Eu+3 - 3.000H+ + 3.000H2O - log_k 17.600 #98DIA/RAG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.76E+1 0E+0 0E+0 0E+0 0E+0 +Eu(OH)3 = Eu+3 - 3 H+ + 3 H2O + log_k 17.6 #98DIA/RAG + -analytic 17.6E+0 00E+0 00E+0 00E+0 00E+0 Eu(OH)3(cr) -Eu(OH)3 = 1.000Eu+3 - 3.000H+ + 3.000H2O - log_k 15.460 #98DIA/RAG - delta_h -127.542 #kJ/mol - # Enthalpy of formation: -1335.279 #kJ/mol - -analytic -6.88437E+0 0E+0 6.66197E+3 0E+0 0E+0 +Eu(OH)3 = Eu+3 - 3 H+ + 3 H2O + log_k 15.46 #98DIA/RAG + delta_h -127.543 #kJ/mol +# Enthalpy of formation: -1335.272 kJ/mol + -analytic -68.84574E-1 00E+0 66.62035E+2 00E+0 00E+0 Eu(PO4):xH2O(s) -Eu(PO4) = 1.000Eu+3 - 2.000H+ + 1.000H2(PO4)- - log_k -4.840 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.84E+0 0E+0 0E+0 0E+0 0E+0 +Eu(PO4) = Eu+3 - 2 H+ + H2(PO4)- + log_k -4.84 #95SPA/BRU + -analytic -48.4E-1 00E+0 00E+0 00E+0 00E+0 -Eu(cr) -Eu = 1.000Eu+3 + 1.500H2O - 3.000H+ - 0.750O2 - log_k 165.125 - delta_h -1024.976 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #82WAG/EVA - -analytic -1.44427E+1 0E+0 5.35381E+4 0E+0 0E+0 - -Eu2(CO3)3:3H2O(s) -Eu2(CO3)3:3H2O = 2.000Eu+3 + 3.000CO3-2 + 3.000H2O - log_k -35.000 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.5E+1 0E+0 0E+0 0E+0 0E+0 +Eu2(CO3)3(s) +Eu2(CO3)3 = 2 Eu+3 + 3 CO3-2 + log_k -35 #95SPA/BRU + -analytic -35E+0 00E+0 00E+0 00E+0 00E+0 Eu2(SO4)3:8H2O(s) -Eu2(SO4)3:8H2O = 2.000Eu+3 + 3.000SO4-2 + 8.000H2O - log_k -10.200 #95SPA/BRU - delta_h -90.974 #kJ/mol - # Enthalpy of formation: -6134.348 #kJ/mol - -analytic -2.61379E+1 0E+0 4.7519E+3 0E+0 0E+0 +Eu2(SO4)3:8H2O = 2 Eu+3 + 3 SO4-2 + 8 H2O + log_k -10.2 #95SPA/BRU + delta_h -90.974 #kJ/mol +# Enthalpy of formation: -6134.332 kJ/mol + -analytic -26.13796E+0 00E+0 47.51903E+2 00E+0 00E+0 Eu2O3(cubic) -Eu2O3 = 2.000Eu+3 - 6.000H+ + 3.000H2O - log_k 52.400 #95SPA/BRU - delta_h -405.453 #kJ/mol - # Enthalpy of formation: -1662.7 #kJ/mol #82WAG/EVA - -analytic -1.86322E+1 0E+0 2.11783E+4 0E+0 0E+0 +Eu2O3 = 2 Eu+3 - 6 H+ + 3 H2O + log_k 52.4 #95SPA/BRU + delta_h -405.44 #kJ/mol +# Enthalpy of formation: -1662.700 kJ/mol 82WAG/EVA + -analytic -18.63004E+0 00E+0 21.17761E+3 00E+0 00E+0 Eu2O3(monoclinic) -Eu2O3 = 2.000Eu+3 - 6.000H+ + 3.000H2O - log_k 53.470 - delta_h -418.514 #kJ/mol - # Enthalpy of formation: -1649.638 #kJ/mol - -analytic -1.98504E+1 0E+0 2.18605E+4 0E+0 0E+0 +Eu2O3 = 2 Eu+3 - 6 H+ + 3 H2O + log_k 53.47 + delta_h -418.513 #kJ/mol +# Enthalpy of formation: -1649.626 kJ/mol + -analytic -19.85033E+0 00E+0 21.86046E+3 00E+0 00E+0 Eu3O4(s) -Eu3O4 = 3.000Eu+3 - 9.000H+ + 4.500H2O - 0.250O2 - log_k 114.515 - delta_h -829.196 #kJ/mol - # Enthalpy of formation: -2270 #kJ/mol - -analytic -3.07536E+1 0E+0 4.33118E+4 0E+0 0E+0 +Eu3O4 = 3 Eu+3 - 8 H+ + e- + 4 H2O + log_k 93.02 + delta_h -688.765 #kJ/mol +# Enthalpy of formation: -2270.529 kJ/mol + -analytic -27.64645E+0 00E+0 35.9767E+3 00E+0 00E+0 EuBr3(s) -EuBr3 = 1.000Eu+3 + 3.000Br- - log_k 30.190 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.019E+1 0E+0 0E+0 0E+0 0E+0 +EuBr3 = Eu+3 + 3 Br- + log_k 30.19 #95SPA/BRU + -analytic 30.19E+0 00E+0 00E+0 00E+0 00E+0 EuCl(OH)2(s) -EuCl(OH)2 = 1.000Eu+3 - 2.000H+ + 1.000Cl- + 2.000H2O - log_k 9.130 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.13E+0 0E+0 0E+0 0E+0 0E+0 +EuCl(OH)2 = Eu+3 - 2 H+ + Cl- + 2 H2O + log_k 9.13 #95SPA/BRU + -analytic 91.3E-1 00E+0 00E+0 00E+0 00E+0 EuCl2(s) -EuCl2 = 1.000Eu+3 + 2.000Cl- + 0.500H2O - 1.000H+ - 0.250O2 - log_k 32.715 #95SPA/BRU - delta_h -255.373 #kJ/mol - # Enthalpy of formation: -824 #kJ/mol #82WAG/EVA - -analytic -1.20243E+1 0E+0 1.3339E+4 0E+0 0E+0 +EuCl2 = Eu+3 + e- + 2 Cl- + log_k 11.22 #95SPA/BRU + delta_h -115.485 #kJ/mol +# Enthalpy of formation: -824.000 kJ/mol 82WAG/EVA + -analytic -90.12104E-1 00E+0 60.32202E+2 00E+0 00E+0 EuCl3(s) -EuCl3 = 1.000Eu+3 + 3.000Cl- - log_k 19.720 #96FAL/REA - delta_h -170.571 #kJ/mol - # Enthalpy of formation: -936 #kJ/mol #82WAG/EVA - -analytic -1.01627E+1 0E+0 8.90953E+3 0E+0 0E+0 +EuCl3 = Eu+3 + 3 Cl- + log_k 19.72 #96FAL/REA + delta_h -170.565 #kJ/mol +# Enthalpy of formation: -936.000 kJ/mol 82WAG/EVA + -analytic -10.16171E+0 00E+0 89.0923E+2 00E+0 00E+0 EuCl3:6H2O(s) -EuCl3:6H2O = 1.000Eu+3 + 3.000Cl- + 6.000H2O - log_k 5.200 #95SPA/BRU - delta_h -41.414 #kJ/mol - # Enthalpy of formation: -2780.137 #kJ/mol - -analytic -2.05541E+0 0E+0 2.1632E+3 0E+0 0E+0 +EuCl3:6H2O = Eu+3 + 3 Cl- + 6 H2O + log_k 5.2 #95SPA/BRU + delta_h -41.414 #kJ/mol +# Enthalpy of formation: -2780.128 kJ/mol + -analytic -20.55421E-1 00E+0 21.63204E+2 00E+0 00E+0 + +EuCO3OH(cr) +Eu(CO3)(OH) = Eu+3 - H+ + CO3-2 + H2O + log_k -9.63 + delta_h -43.385 #kJ/mol +# Enthalpy of formation: -1523.000 kJ/mol 05ROR/FUG + -analytic -17.23073E+0 00E+0 22.66156E+2 00E+0 00E+0 + +EuCO3OH:0.5H2O(s) +Eu(CO3)(OH):0.5H2O = Eu+3 - H+ + CO3-2 + 1.5 H2O + log_k -7.8 #95SPA/BRU + delta_h -55.9 #kJ/mol +# Enthalpy of formation: -1653.400 kJ/mol 05ROR/FUG + -analytic -17.59326E+0 00E+0 29.1986E+2 00E+0 00E+0 EuF3(s) -EuF3 = 1.000Eu+3 + 3.000F- - log_k -18.500 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.85E+1 0E+0 0E+0 0E+0 0E+0 +EuF3 = Eu+3 + 3 F- + log_k -18.5 #96FAL/REA + -analytic -18.5E+0 00E+0 00E+0 00E+0 00E+0 EuF3:0.5H2O(s) -EuF3:0.5H2O = 1.000Eu+3 + 3.000F- + 0.500H2O - log_k -17.200 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.72E+1 0E+0 0E+0 0E+0 0E+0 +EuF3:0.5H2O = Eu+3 + 3 F- + 0.5 H2O + log_k -17.2 #95SPA/BRU + -analytic -17.2E+0 00E+0 00E+0 00E+0 00E+0 EuO(s) -EuO = 1.000Eu+3 - 3.000H+ + 1.500H2O - 0.250O2 - log_k 66.265 - delta_h -439.894 #kJ/mol - # Enthalpy of formation: -591.149 #kJ/mol - -analytic -1.08009E+1 0E+0 2.29772E+4 0E+0 0E+0 +EuO = Eu+3 - 2 H+ + e- + H2O + log_k 44.77 + delta_h -300.012 #kJ/mol +# Enthalpy of formation: -591.143 kJ/mol + -analytic -77.89846E-1 00E+0 15.67072E+3 00E+0 00E+0 EuOCl(s) -EuOCl = 1.000Eu+3 - 2.000H+ + 1.000Cl- + 1.000H2O - log_k 15.810 #95SPA/BRU - delta_h -154.741 #kJ/mol - # Enthalpy of formation: -903.5 #kJ/mol - -analytic -1.12994E+1 0E+0 8.08267E+3 0E+0 0E+0 +EuOCl = Eu+3 - 2 H+ + Cl- + H2O + log_k 15.81 #95SPA/BRU + delta_h -154.735 #kJ/mol +# Enthalpy of formation: -903.500 kJ/mol 98BUR/PET + -analytic -11.29841E+0 00E+0 80.82372E+2 00E+0 00E+0 EuPO4:H2O(cr) -EuPO4:H2O = 1.000Eu+3 - 2.000H+ + 1.000H2(PO4)- + 1.000H2O - log_k -6.440 #97LIU/BYR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.44E+0 0E+0 0E+0 0E+0 0E+0 +EuPO4:H2O = Eu+3 - 2 H+ + H2(PO4)- + H2O + log_k -6.44 #97LIU/BYR + -analytic -64.4E-1 00E+0 00E+0 00E+0 00E+0 EuSO4(s) -EuSO4 = 1.000Eu+3 + 1.000SO4-2 + 0.500H2O - 1.000H+ - 0.250O2 - log_k 18.975 #95SPA/BRU - delta_h -232.746 #kJ/mol - # Enthalpy of formation: -1421.807 #kJ/mol - -analytic -2.18002E+1 0E+0 1.21571E+4 0E+0 0E+0 +EuSO4 = Eu+3 + e- + SO4-2 + log_k -2.52 #95SPA/BRU + delta_h -92.864 #kJ/mol +# Enthalpy of formation: -1421.801 kJ/mol + -analytic -18.78907E+0 00E+0 48.50625E+2 00E+0 00E+0 Fayalite -Fe2(SiO4) = 2.000Fe+2 - 4.000H+ + 1.000H4(SiO4) - log_k 19.510 - delta_h -163.054 #kJ/mol - # Enthalpy of formation: -1478.14 #kJ/mol #95ROB/HEM - -analytic -9.05579E+0 0E+0 8.51689E+3 0E+0 0E+0 +Fe2(SiO4) = 2 Fe+2 - 4 H+ + H4(SiO4) + log_k 19.55 + delta_h -163.644 #kJ/mol +# Enthalpy of formation: -1478.140 kJ/mol 95ROB/HEM + -analytic -91.19198E-1 00E+0 85.47721E+2 00E+0 00E+0 + +Fe(alpha,cr) +Fe = Fe+2 + 2 e- + log_k 15.89 + delta_h -90.295 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 13LEM/BER + -analytic 70.99504E-3 00E+0 47.16436E+2 00E+0 00E+0 Fe(OH)2(cr) -Fe(OH)2 = 1.000Fe+2 - 2.000H+ + 2.000H2O - log_k 12.760 - delta_h -99.056 #kJ/mol - # Enthalpy of formation: -574.011 #kJ/mol - -analytic -4.59384E+0 0E+0 5.17405E+3 0E+0 0E+0 +Fe(OH)2 = Fe+2 - 2 H+ + 2 H2O + log_k 12.78 + delta_h -87.915 #kJ/mol +# Enthalpy of formation: -574.040 kJ/mol 98CHA in 04CHI + -analytic -26.22047E-1 00E+0 45.9212E+2 00E+0 00E+0 Fe(PO4)(cr) -Fe(PO4) = 1.000Fe+3 - 2.000H+ + 1.000H2(PO4)- - log_k -6.240 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) - delta_h -18.600 #kJ/mol - # Enthalpy of formation: -1333 #kJ/mol - -analytic -9.49858E+0 0E+0 9.71544E+2 0E+0 0E+0 - -Fe(s) -Fe = 1.000Fe+2 + 1.000H2O - 2.000H+ - 0.500O2 - log_k 58.850 #95PAR/KHO in 98CHI - delta_h -369.763 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol - -analytic -5.9296E+0 0E+0 1.9314E+4 0E+0 0E+0 +Fe(PO4) = Fe+3 - 2 H+ + H2(PO4)- + log_k -1.39 + delta_h -85.096 #kJ/mol +# Enthalpy of formation: -1267.560 kJ/mol 20LEM/PAL + -analytic -16.29818E+0 00E+0 44.44874E+2 00E+0 00E+0 + +Fe0.932O(s) +Fe0.932O = 0.932 Fe+2 - 2 H+ - 0.136 e- + H2O + log_k 13.51 + delta_h -104.185 #kJ/mol +# Enthalpy of formation: -265.800 kJ/mol 20LEM/PAL + -analytic -47.42428E-1 00E+0 54.41962E+2 00E+0 00E+0 Fe1.04Se(beta) -Fe1.04Se = 1.040Fe+2 - 1.080H+ + 1.000HSe- + 0.040H2O - 0.020O2 - log_k -1.680 - delta_h -20.891 #kJ/mol - # Enthalpy of formation: -69.6 #kJ/mol #05OLI/NOL - -analytic -5.34026E+0 0E+0 1.09119E+3 0E+0 0E+0 +Fe1.04Se = 1.04 Fe+2 - H+ + 0.08 e- + HSe- + log_k -3.38 + delta_h -10.007 #kJ/mol +# Enthalpy of formation: -69.600 kJ/mol 05OLI/NOL + -analytic -51.33151E-1 00E+0 52.2702E+1 00E+0 00E+0 Fe2(SeO3)3:6H2O(s) -Fe2(SeO3)3:6H2O = 2.000Fe+3 + 3.000SeO3-2 + 6.000H2O - log_k -41.580 #05OLI/NOL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.158E+1 0E+0 0E+0 0E+0 0E+0 +Fe2(SeO3)3:6H2O = 2 Fe+3 + 3 SeO3-2 + 6 H2O + log_k -41.58 #05OLI/NOL + -analytic -41.58E+0 00E+0 00E+0 00E+0 00E+0 + +Fe3O4(s) +Fe3O4 = 2 Fe+3 + Fe+2 - 8 H+ + 4 H2O + log_k 12.6 #18BRU/GON + -analytic 12.6E+0 00E+0 00E+0 00E+0 00E+0 Fe3Se4(gamma) -Fe3Se4 = 3.000Fe+2 - 2.000H+ + 4.000HSe- - 1.000H2O + 0.500O2 - log_k -68.590 - delta_h 301.963 #kJ/mol - # Enthalpy of formation: -235 #kJ/mol #05OLI/NOL - -analytic -1.56884E+1 0E+0 -1.57726E+4 0E+0 0E+0 - -Fe5(OH)(PO4)3(s) -Fe5(OH)(PO4)3 = 5.000Fe+2 - 7.000H+ + 3.000H2(PO4)- + 1.000H2O - log_k -402.320 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.0232E+2 0E+0 0E+0 0E+0 0E+0 +Fe3Se4 = 3 Fe+2 - 4 H+ - 2 e- + 4 HSe- + log_k -25.53 + delta_h 21.315 #kJ/mol +# Enthalpy of formation: -235.000 kJ/mol 05OLI/NOL + -analytic -21.79577E+0 00E+0 -11.1336E+2 00E+0 00E+0 Fe7Se8(alfa) -Fe7Se8 = 7.000Fe+2 - 6.000H+ + 8.000HSe- - 1.000H2O + 0.500O2 - log_k -78.590 - delta_h 227.663 #kJ/mol - # Enthalpy of formation: -463.5 #kJ/mol #05OLI/NOL - -analytic -3.87052E+1 0E+0 -1.18916E+4 0E+0 0E+0 +Fe7Se8 = 7 Fe+2 - 8 H+ - 2 e- + 8 HSe- + log_k -35.44 + delta_h -54.165 #kJ/mol +# Enthalpy of formation: -463.500 kJ/mol 05OLI/NOL + -analytic -44.9293E+0 00E+0 28.29235E+2 00E+0 00E+0 FeAl2O4(s) -FeAl2O4 = 1.000Fe+2 + 2.000Al+3 - 8.000H+ + 4.000H2O - log_k 27.200 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.72E+1 0E+0 0E+0 0E+0 0E+0 +FeAl2O4 = Fe+2 + 2 Al+3 - 8 H+ + 4 H2O + log_k 27.2 #96FAL/REA + -analytic 27.2E+0 00E+0 00E+0 00E+0 00E+0 + +FeF2(cr) +FeF2 = Fe+2 + 2 F- + log_k -2.76 + delta_h -48.895 #kJ/mol +# Enthalpy of formation: -712.100 kJ/mol 13LEM/BER + -analytic -11.32604E+0 00E+0 25.53964E+2 00E+0 00E+0 FeMoO4(s) -FeMoO4 = 1.000Fe+2 + 1.000MoO4-2 - log_k -8.350 - delta_h -11.534 #kJ/mol - # Enthalpy of formation: -1075.466 #kJ/mol - -analytic -1.03707E+1 0E+0 6.02462E+2 0E+0 0E+0 +FeMoO4 = Fe+2 + MoO4-2 + log_k -8.32 + delta_h -11.893 #kJ/mol +# Enthalpy of formation: -1075.402 kJ/mol + -analytic -10.40356E+0 00E+0 62.12147E+1 00E+0 00E+0 FeO(s) -FeO = 1.000Fe+2 - 2.000H+ + 1.000H2O - log_k 13.370 #95ROB/HEM - delta_h -103.830 #kJ/mol - # Enthalpy of formation: -272 #kJ/mol - -analytic -4.82021E+0 0E+0 5.42341E+3 0E+0 0E+0 - -FeS(am) -FeS = 1.000Fe+2 - 1.000H+ + 1.000HS- - log_k -2.950 #91DAV - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.95E+0 0E+0 0E+0 0E+0 0E+0 +FeO = Fe+2 - 2 H+ + H2O + log_k 13.39 + delta_h -104.125 #kJ/mol +# Enthalpy of formation: -272.000 kJ/mol 95ROB/HEM + -analytic -48.51917E-1 00E+0 54.38828E+2 00E+0 00E+0 + -Vm 12 Ferrihydrite(am) -Fe(OH)3 = 1.000Fe+3 - 3.000H+ + 3.000H2O - log_k 2.540 #63SCH/MIC - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.54E+0 0E+0 0E+0 0E+0 0E+0 +Fe(OH)3 = Fe+3 - 3 H+ + 3 H2O + log_k 3.92 #21RIB/BEG from 04MAJ/NAV + -analytic 39.2E-1 00E+0 00E+0 00E+0 00E+0 + +Ferrihydrite(cr) +Fe(OH)3 = Fe+3 - 3 H+ + 3 H2O + log_k 1.22 #21RIB/BEG from 05GRI + -analytic 12.2E-1 00E+0 00E+0 00E+0 00E+0 + +Ferrihydrite(s) +Fe(OH)3 = Fe+3 - 3 H+ + 3 H2O + log_k 2.78 #21RIB/BEG from 63SCH/MIC + -analytic 27.8E-1 00E+0 00E+0 00E+0 00E+0 Ferroselite -FeSe2 = 1.000Fe+2 + 2.000HSe- - 1.000H2O + 0.500O2 - log_k -60.120 #05OLI/NOL - delta_h 327.063 #kJ/mol - # Enthalpy of formation: -108.7 #kJ/mol #05OLI/NOL - -analytic -2.82111E+0 0E+0 -1.70837E+4 0E+0 0E+0 +FeSe2 = Fe+2 - 2 H+ - 2 e- + 2 HSe- + log_k -17.1 + delta_h 47.005 #kJ/mol +# Enthalpy of formation: -108.700 kJ/mol 05OLI/NOL + -analytic -88.65077E-1 00E+0 -24.55242E+2 00E+0 00E+0 Ferrosilite -FeSiO3 = 1.000Fe+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O - log_k 32.710 #95TRO: CEA, N.T.SESD n° 95/49, L. TROTIGNON avril 1996; Critique et sélection de données thermodynamiques en vue de modéliser les équilibres minéral - solution, rapport annuel 1995 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.271E+1 0E+0 0E+0 0E+0 0E+0 - -Ferryhydrite -Fe(OH)3 = 1.000Fe+3 - 3.000H+ + 3.000H2O - log_k 1.190 #05GRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.19E+0 0E+0 0E+0 0E+0 0E+0 +FeSiO3 = Fe+2 - 2 H+ + H4(SiO4) - H2O + log_k 32.71 #95TRO: CEA, N.T.SESD n° 95/49, L. TROTIGNON avril 1996; Critique et sélection de données thermodynamiques en vue de modéliser les équilibres minéral - solution, rapport annuel 1995 + -analytic 32.71E+0 00E+0 00E+0 00E+0 00E+0 + +FeS(am) +FeS = Fe+2 - H+ + HS- + log_k -2.95 #91DAV + -analytic -29.5E-1 00E+0 00E+0 00E+0 00E+0 Fluorapatite -Ca5F(PO4)3 = 5.000Ca+2 - 6.000H+ + 1.000F- + 3.000H2(PO4)- - log_k -0.910 #74HAG - delta_h -115.603 #kJ/mol - # Enthalpy of formation: -6842.547 #kJ/mol - -analytic -2.11627E+1 0E+0 6.03836E+3 0E+0 0E+0 +Ca5F(PO4)3 = 5 Ca+2 - 6 H+ + F- + 3 H2(PO4)- + log_k -0.91 #74HAG + delta_h -115.603 #kJ/mol +# Enthalpy of formation: -6842.544 kJ/mol + -analytic -21.16278E+0 00E+0 60.38365E+2 00E+0 00E+0 + -Vm 157.6 Fluorite -CaF2 = 1.000Ca+2 + 2.000F- - log_k -10.600 - delta_h 19.623 #kJ/mol - # Enthalpy of formation: -1233.323 #kJ/mol - -analytic -7.1622E+0 0E+0 -1.02498E+3 0E+0 0E+0 +CaF2 = Ca+2 + 2 F- + log_k -10.6 #96FAL/REA + delta_h 19.623 #kJ/mol 90NOR/PLU +# Enthalpy of formation: -1233.323 kJ/mol + -analytic -71.62198E-1 00E+0 -10.24981E+2 00E+0 00E+0 + -Vm 24.54 Foshagite -Ca4Si3O9(OH)2:0.5H2O = 4.000Ca+2 - 8.000H+ + 3.000H4(SiO4) - 0.500H2O - log_k 65.960 #10BLA/BOU1 - delta_h -380.237 #kJ/mol - # Enthalpy of formation: -6032.43 #kJ/mol #56NEW - -analytic -6.54565E-1 0E+0 1.98611E+4 0E+0 0E+0 +Ca4Si3O9(OH)2:0.5H2O = 4 Ca+2 - 8 H+ + 3 H4(SiO4) - 0.5 H2O + log_k 65.96 #10BLA/BOU1 + delta_h -380.237 #kJ/mol +# Enthalpy of formation: -6032.430 kJ/mol 56NEW + -analytic -65.46629E-2 00E+0 19.86116E+3 00E+0 00E+0 + -Vm 160.66 Friedel-salt -Ca4Al2(OH)12Cl2:4H2O = 4.000Ca+2 + 2.000Al+3 - 12.000H+ + 2.000Cl- + 16.000H2O - log_k 74.930 #10BLA/BOU2 - delta_h -486.200 #kJ/mol - # Enthalpy of formation: -7670.04 #kJ/mol #76HOU/STE - -analytic -1.02485E+1 0E+0 2.5396E+4 0E+0 0E+0 +Ca4Al2(OH)12Cl2:4H2O = 4 Ca+2 + 2 Al+3 - 12 H+ + 2 Cl- + 16 H2O + log_k 74.93 #10BLA/BOU2 + delta_h -486.2 #kJ/mol +# Enthalpy of formation: -7670.040 kJ/mol 76HOU/STE + -analytic -10.24858E+0 00E+0 25.39599E+3 00E+0 00E+0 + -Vm 276.24 Galena -PbS = 1.000Pb+2 - 1.000H+ + 1.000HS- - log_k -14.840 - delta_h 82.940 #kJ/mol - # Enthalpy of formation: -98.32 #kJ/mol #98CHA - -analytic -3.09557E-1 0E+0 -4.33225E+3 0E+0 0E+0 +PbS = Pb+2 - H+ + HS- + log_k -14.84 + delta_h 82.94 #kJ/mol +# Enthalpy of formation: -98.320 kJ/mol 98CHA + -analytic -30.95357E-2 00E+0 -43.32258E+2 00E+0 00E+0 Gaylussite -CaNa2(CO3)2:5H2O = 1.000Ca+2 + 2.000Na+ + 2.000CO3-2 + 5.000H2O - log_k -9.430 #99KON/KON - delta_h 31.099 #kJ/mol - # Enthalpy of formation: -3834.389 #kJ/mol - -analytic -3.9817E+0 0E+0 -1.62441E+3 0E+0 0E+0 +CaNa2(CO3)2:5H2O = Ca+2 + 2 Na+ + 2 CO3-2 + 5 H2O + log_k -9.43 #99KON/KON + delta_h 31.099 #kJ/mol +# Enthalpy of formation: -3834.387 kJ/mol + -analytic -39.81689E-1 00E+0 -16.24414E+2 00E+0 00E+0 Gibbsite -Al(OH)3 = 1.000Al+3 - 3.000H+ + 3.000H2O - log_k 7.740 #95POK/HEL - delta_h -102.759 #kJ/mol - # Enthalpy of formation: -1293.131 #kJ/mol - -analytic -1.02626E+1 0E+0 5.36747E+3 0E+0 0E+0 +Al(OH)3 = Al+3 - 3 H+ + 3 H2O + log_k 7.74 #95POK/HEL + delta_h -102.784 #kJ/mol +# Enthalpy of formation: -1293.105 kJ/mol + -analytic -10.26698E+0 00E+0 53.68782E+2 00E+0 00E+0 + -Vm 31.96 Gismondine -Ca2Al4Si4O16:9H2O = 2.000Ca+2 + 4.000Al+3 - 16.000H+ + 4.000H4(SiO4) + 9.000H2O - log_k 39.010 - delta_h -477.046 #kJ/mol - # Enthalpy of formation: -11179.8 #kJ/mol #89CHE/RIM - -analytic -4.45647E+1 0E+0 2.49178E+4 0E+0 0E+0 +Ca2Al4Si4O16:9H2O = 2 Ca+2 + 4 Al+3 - 16 H+ + 4 H4(SiO4) + 9 H2O + log_k 38.97 + delta_h -477.046 #kJ/mol +# Enthalpy of formation: -11179.800kJ/mol 89CHE/RIM + -analytic -44.60487E+0 00E+0 24.91785E+3 00E+0 00E+0 + -Vm 315.07 Glaserite -Na2K6(SO4)4 = 6.000K+ + 2.000Na+ + 4.000SO4-2 - log_k -7.610 #80HAR/WEA - delta_h 78.360 #kJ/mol - # Enthalpy of formation: -5709.24 #kJ/mol - -analytic 6.11806E+0 0E+0 -4.09302E+3 0E+0 0E+0 +Na2K6(SO4)4 = 6 K+ + 2 Na+ + 4 SO4-2 + log_k -7.61 #80HAR/WEA + delta_h 78.36 #kJ/mol +# Enthalpy of formation: -5709.240 kJ/mol 80HAR/WEA + -analytic 61.18083E-1 00E+0 -40.93028E+2 00E+0 00E+0 Glauberite -Na2Ca(SO4)2 = 1.000Ca+2 + 2.000Na+ + 2.000SO4-2 - log_k 1.970 #84HAR/MOL - delta_h -13.160 #kJ/mol - # Enthalpy of formation: -2829.2 #kJ/mol #82WAG/EVA - -analytic -3.3553E-1 0E+0 6.87394E+2 0E+0 0E+0 +Na2Ca(SO4)2 = Ca+2 + 2 Na+ + 2 SO4-2 + log_k 1.97 #84HAR/MOL + delta_h -13.16 #kJ/mol +# Enthalpy of formation: -2829.200 kJ/mol 82WAG/EVA + -analytic -33.5533E-2 00E+0 68.73947E+1 00E+0 00E+0 Glauconite -(K0.75Mg0.25Fe1.5Al0.25)(Al0.25Si3.75)O10(OH)2 = 0.250Mg+2 + 0.750K+ + 1.250Fe+3 + 0.250Fe+2 + 0.500Al+3 - 7.000H+ + 3.750H4(SiO4) - 3.000H2O - log_k 1.860 - delta_h -129.662 #kJ/mol - # Enthalpy of formation: -5151.13 #kJ/mol #15BLA/VIE - -analytic -2.08558E+1 0E+0 6.77271E+3 0E+0 0E+0 +(K0.75Mg0.25Fe1.5Al0.25)(Al0.25Si3.75)O10(OH)2 = 0.25 Mg+2 + 0.75 K+ + 1.25 Fe+3 + 0.25 Fe+2 + 0.5 Al+3 - 7 H+ + 3.75 H4(SiO4) - 3 H2O + log_k 1.84 + delta_h -131.056 #kJ/mol +# Enthalpy of formation: -5151.130 kJ/mol 15BLA/VIE + -analytic -21.12003E+0 00E+0 68.45532E+2 00E+0 00E+0 + -Vm 139.76 Goethite -FeOOH = 1.000Fe+3 - 3.000H+ + 2.000H2O - log_k 0.390 #63SCH/MIC - delta_h -61.522 #kJ/mol - # Enthalpy of formation: -559.124 #kJ/mol - -analytic -1.03882E+1 0E+0 3.21351E+3 0E+0 0E+0 +FeOOH = Fe+3 - 3 H+ + 2 H2O + log_k 0.17 + delta_h -61.256 #kJ/mol +# Enthalpy of formation: -560.460 kJ/mol 13LEM/BER + -analytic -10.56159E+0 00E+0 31.99624E+2 00E+0 00E+0 + -Vm 20.82 + +GR-Cl +Fe3Fe(OH)8Cl = 4 Fe+2 - 8 H+ - e- + Cl- + 8 H2O + log_k 41.8 + -analytic 41.8E+0 00E+0 00E+0 00E+0 00E+0 + +GR-CO3 +Fe4Fe2(OH)12CO3:2H2O = 6 Fe+2 - 12 H+ - 2 e- + CO3-2 + 14 H2O + log_k 55.5 + -analytic 55.5E+0 00E+0 00E+0 00E+0 00E+0 Greenalite -Fe3Si2O5(OH)4 = 3.000Fe+2 - 6.000H+ + 2.000H4(SiO4) + 1.000H2O - log_k 21.770 - delta_h -177.218 #kJ/mol - # Enthalpy of formation: -3301 #kJ/mol #83MIY/KLE - -analytic -9.27722E+0 0E+0 9.25673E+3 0E+0 0E+0 +Fe3Si2O5(OH)4 = 3 Fe+2 - 6 H+ + 2 H4(SiO4) + H2O + log_k 21.82 + delta_h -178.103 #kJ/mol +# Enthalpy of formation: -3301.000 kJ/mol 83MIY/KLE + -analytic -93.82306E-1 00E+0 93.02968E+2 00E+0 00E+0 + -Vm 115 + +Greigite +Fe3S4 = 3 Fe+2 - 4 H+ - 2 e- + 4 HS- + log_k -15.03 + -analytic -15.03E+0 00E+0 00E+0 00E+0 00E+0 + +GR-SO4 +Fe4Fe2(OH)12SO4 = 6 Fe+2 - 12 H+ - 2 e- + SO4-2 + 12 H2O + log_k 58.3 + -analytic 58.3E+0 00E+0 00E+0 00E+0 00E+0 Gypsum -CaSO4:2H2O = 1.000Ca+2 + 1.000SO4-2 + 2.000H2O - log_k -4.610 - delta_h -1.050 #kJ/mol - # Enthalpy of formation: -2022.95 #kJ/mol #87GAR/PAR - -analytic -4.79395E+0 0E+0 5.48452E+1 0E+0 0E+0 +CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O + log_k -4.61 + delta_h -1.05 #kJ/mol +# Enthalpy of formation: -2022.950 kJ/mol 87GAR/PAR + -analytic -47.93952E-1 00E+0 54.84532E+0 00E+0 00E+0 + -Vm 74.69 Gyrolite -Ca2Si3O7.5(OH):2H2O = 2.000Ca+2 - 4.000H+ + 3.000H4(SiO4) - 1.500H2O - log_k 22.340 #10BLA/BOU1 - delta_h -122.847 #kJ/mol - # Enthalpy of formation: -4917.99 #kJ/mol #10BLA/BOU1 - -analytic 8.18161E-1 0E+0 6.41674E+3 0E+0 0E+0 +Ca2Si3O7.5(OH):2H2O = 2 Ca+2 - 4 H+ + 3 H4(SiO4) - 1.5 H2O + log_k 22.34 #10BLA/BOU1 + delta_h -122.847 #kJ/mol +# Enthalpy of formation: -4917.990 kJ/mol 10BLA/BOU1 + -analytic 81.81294E-2 00E+0 64.16746E+2 00E+0 00E+0 + -Vm 137.34 H2MoO4(s) -H2MoO4 = 2.000H+ + 1.000MoO4-2 - log_k -13.170 - delta_h 48.763 #kJ/mol - # Enthalpy of formation: -1045.763 #kJ/mol - -analytic -4.6271E+0 0E+0 -2.54707E+3 0E+0 0E+0 +H2MoO4 = 2 H+ + MoO4-2 + log_k -13.17 + delta_h 48.763 #kJ/mol +# Enthalpy of formation: -1045.763 kJ/mol + -analytic -46.27089E-1 00E+0 -25.47069E+2 00E+0 00E+0 H3Cit:H2O(cr) -H3Cit:H2O = 3.000H+ + 1.000Cit-3 + 1.000H2O - log_k -12.940 #05HUM/AND - delta_h 32.710 #kJ/mol - # Enthalpy of formation: -1838.46 #kJ/mol - -analytic -7.20946E+0 0E+0 -1.70856E+3 0E+0 0E+0 +H3Cit:H2O = 3 H+ + Cit-3 + H2O + log_k -12.94 #05HUM/AND + delta_h 32.71 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1838.460 kJ/mol + -analytic -72.09454E-1 00E+0 -17.08562E+2 00E+0 00E+0 H4Edta(cr) -H4Edta = 4.000H+ + 1.000Edta-4 - log_k -27.220 #05HUM/AND - delta_h 55.000 #kJ/mol - # Enthalpy of formation: -1759.8 #kJ/mol - -analytic -1.75844E+1 0E+0 -2.87285E+3 0E+0 0E+0 +H4Edta = 4 H+ + Edta-4 + log_k -27.22 #05HUM/AND + delta_h 55 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1759.800 kJ/mol + -analytic -17.58441E+0 00E+0 -28.7285E+2 00E+0 00E+0 + +Halite +NaCl = Na+ + Cl- + log_k 1.59 + delta_h 3.7 #kJ/mol +# Enthalpy of formation: -411.120 kJ/mol 98CHA + -analytic 22.38212E-1 00E+0 -19.32645E+1 00E+0 00E+0 + -Vm 27.02 + +Halloysite +Al2Si2O5(OH)4 = 2 Al+3 - 6 H+ + 2 H4(SiO4) + H2O + log_k 10.32 + delta_h -192.418 #kJ/mol +# Enthalpy of formation: -4092.600 kJ/mol 99DEL/NAV + -analytic -23.39019E+0 00E+0 10.05069E+3 00E+0 00E+0 + +Hausmannite +Mn3O4 = 3 Mn+2 - 8 H+ - 2 e- + 4 H2O + log_k 61.32 #96FAL/REA + -analytic 61.32E+0 00E+0 00E+0 00E+0 00E+0 HBeidellite-Ca -Ca0.17Al2.34Si3.66O10(OH)2:4.45H2O = 0.170Ca+2 + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.810H2O - log_k 2.110 - delta_h -160.492 #kJ/mol - # Enthalpy of formation: -7056.996 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -2.6007E+1 0E+0 8.38307E+3 0E+0 0E+0 +Ca0.17Al2.34Si3.66O10(OH)2:4.45H2O = 0.17 Ca+2 + 2.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) + 1.81 H2O + log_k 2.09 + delta_h -160.492 #kJ/mol +# Enthalpy of formation: -7056.996 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -26.02699E+0 00E+0 83.83081E+2 00E+0 00E+0 + -Vm 214.55 HBeidellite-K -K0.34Al2.34Si3.66O10(OH)2:1.96H2O = 0.340K+ + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 0.680H2O - log_k 2.240 - delta_h -167.142 #kJ/mol - # Enthalpy of formation: -6332.047 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -2.7042E+1 0E+0 8.73042E+3 0E+0 0E+0 +K0.34Al2.34Si3.66O10(OH)2:1.96H2O = 0.34 K+ + 2.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 0.68 H2O + log_k 2.22 + delta_h -167.142 #kJ/mol +# Enthalpy of formation: -6332.047 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -27.06202E+0 00E+0 87.30435E+2 00E+0 00E+0 + -Vm 168.65 HBeidellite-Mg -Mg0.17Al2.34Si3.66O10(OH)2:4.61H2O = 0.170Mg+2 + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.970H2O - log_k 2.240 - delta_h -159.892 #kJ/mol - # Enthalpy of formation: -7090.409 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -2.57718E+1 0E+0 8.35173E+3 0E+0 0E+0 +Mg0.17Al2.34Si3.66O10(OH)2:4.61H2O = 0.17 Mg+2 + 2.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) + 1.97 H2O + log_k 2.21 + delta_h -159.892 #kJ/mol +# Enthalpy of formation: -7090.409 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -25.80188E+0 00E+0 83.51741E+2 00E+0 00E+0 + -Vm 212.61 HBeidellite-Na -Na0.34Al2.34Si3.66O10(OH)2:3.84H2O = 0.340Na+ + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.200H2O - log_k 1.860 - delta_h -171.523 #kJ/mol - # Enthalpy of formation: -6861.015 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -2.81895E+1 0E+0 8.95926E+3 0E+0 0E+0 +Na0.34Al2.34Si3.66O10(OH)2:3.84H2O = 0.34 Na+ + 2.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) + 1.2 H2O + log_k 1.83 + delta_h -171.523 #kJ/mol +# Enthalpy of formation: -6861.015 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -28.21954E+0 00E+0 89.5927E+2 00E+0 00E+0 + -Vm 201.94 + +Heazlewoodite +Ni3S2 = 3 Ni+2 - 2 H+ + 2 e- + 2 HS- + log_k -17.23 + delta_h 19.564 #kJ/mol +# Enthalpy of formation: -217.200 kJ/mol 05GAM/BUG + -analytic -13.80253E+0 00E+0 -10.21899E+2 00E+0 00E+0 + +Hematite(cr) +Fe2O3 = 2 Fe+3 - 6 H+ + 3 H2O + log_k -0.83 #21RIB/BEG from 05GRI + delta_h -127.15 #kJ/mol +# Enthalpy of formation: -830.451 kJ/mol + -analytic -23.10572E+0 00E+0 66.41507E+2 00E+0 00E+0 + +Hematite(s) +Fe2O3 = 2 Fe+3 - 6 H+ + 3 H2O + log_k -0.1 + delta_h -131.312 #kJ/mol +# Enthalpy of formation: -826.290 kJ/mol 13LEM/BER + -analytic -23.10487E+0 00E+0 68.58903E+2 00E+0 00E+0 + -Vm 30.27 + +Hemicarboaluminate +Ca6O6:Al4O6:CaCO3:Ca(OH)2:21H2O = 8 Ca+2 + 4 Al+3 - 26 H+ + CO3-2 + 35 H2O + log_k 173.2 #07MAT/LOT1 + delta_h -1189.079 #kJ/mol +# Enthalpy of formation: -15987.789kJ/mol + -analytic -35.1177E+0 00E+0 62.10992E+3 00E+0 00E+0 + -Vm 569.02 + +Herzenbergite +SnS = Sn+2 - H+ + HS- + log_k -16.21 + delta_h 83.683 #kJ/mol +# Enthalpy of formation: -109.600 kJ/mol 12GAM/GAJ + -analytic -15.49368E-1 00E+0 -43.71068E+2 00E+0 00E+0 + +Heulandite_Ca +Ca1.07Al2.14Si6.86O18:6.17H2O = 1.07 Ca+2 + 2.14 Al+3 - 8.56 H+ + 6.86 H4(SiO4) - 3.27 H2O + log_k 2.46 #09BLA + delta_h -155.113 #kJ/mol +# Enthalpy of formation: -10667.200kJ/mol 09BLA + -analytic -24.71463E+0 00E+0 81.02116E+2 00E+0 00E+0 + -Vm 322.06 + +Heulandite_Na +Na2.14Al2.14Si6.86O18:6.17H2O = 2.14 Na+ + 2.14 Al+3 - 8.56 H+ + 6.86 H4(SiO4) - 3.27 H2O + log_k 2.8 #09BLA + delta_h -142.78 #kJ/mol +# Enthalpy of formation: -10612.850kJ/mol 09BLA + -analytic -22.21398E+0 00E+0 74.57919E+2 00E+0 00E+0 + -Vm 325 + +Hexahydrite +Mg(SO4):6H2O = Mg+2 + SO4-2 + 6 H2O + log_k -1.64 #84HAR/MOL + delta_h -4.625 #kJ/mol +# Enthalpy of formation: -3086.692 kJ/mol + -analytic -24.50265E-1 00E+0 24.15806E+1 00E+0 00E+0 + +Hf(cr) +Hf = 4 e- + Hf+4 + log_k 97.2 + delta_h -628.91 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 79ROB/HEM + -analytic -12.9803E+0 00E+0 32.85026E+3 00E+0 00E+0 + +Hf(HPO4)2:H2O(s) +Hf(HPO4)2:H2O = -2 H+ + 2 H2(PO4)- + Hf+4 + H2O + log_k -21.05 #25HEV/KIM recalculated; Uncertainty is by analogy with Zr(HPO4)2:H2O(s) and is preliminary. + delta_h -38.34 #kJ/mol +# Enthalpy of formation: -3481.600 kJ/mol 97KAR/CHE + -analytic -27.76688E+0 00E+0 20.02638E+2 00E+0 00E+0 + +HfO2(am) +HfO2 = -4 H+ + Hf+4 + 2 H2O + log_k 0.9 #01RAI/XIA + delta_h -98.87 #kJ/mol +# Enthalpy of formation: -1101.700 kJ/mol 98KAR/CHE + -analytic -16.42128E+0 00E+0 51.6434E+2 00E+0 00E+0 + +HfO2(cr) +HfO2 = -4 H+ + Hf+4 + 2 H2O + log_k -5.62 + delta_h -82.94 #kJ/mol +# Enthalpy of formation: -1117.630 kJ/mol 75KOR/USH + -analytic -20.15046E+0 00E+0 43.32258E+2 00E+0 00E+0 + +Hg(l) +Hg = 2 e- + Hg+2 + log_k 28.85 + delta_h -170.21 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic -96.9512E-2 00E+0 88.90687E+2 00E+0 00E+0 + +Hg2Cl2(s) +Hg2Cl2 = 2 Cl- + Hg2+2 + log_k -17.85 + delta_h 98.03 #kJ/mol +# Enthalpy of formation: -265.370 kJ/mol 89COX/WAG + -analytic -67.58812E-2 00E+0 -51.20464E+2 00E+0 00E+0 + +Hg3(PO4)2(s) +Hg3(PO4)2 = -4 H+ + 2 H2(PO4)- + 3 Hg+2 + log_k -13.01 #05POW/BRO + -analytic -13.01E+0 00E+0 00E+0 00E+0 00E+0 + +HgCl2(s) +HgCl2 = 2 Cl- + Hg+2 + log_k -14.57 #74AND/CUM + -analytic -14.57E+0 00E+0 00E+0 00E+0 00E+0 + +HgCO3:2HgO(s) +HgCO3:2HgO = -4 H+ + CO3-2 + 2 H2O + 3 Hg+2 + log_k -11.48 #05POW/BRO + -analytic -11.48E+0 00E+0 00E+0 00E+0 00E+0 + +HgHPO4(s) +HgHPO4 = - H+ + H2(PO4)- + Hg+2 + log_k -7.16 #05POW/BRO + -analytic -71.6E-1 00E+0 00E+0 00E+0 00E+0 + +HgO(s) +HgO = -2 H+ + H2O + Hg+2 + log_k 2.37 #05POW/BRO + delta_h -25.3 #kJ/mol 05POW/BRO +# Enthalpy of formation: -90.320 kJ/mol + -analytic -20.6237E-1 00E+0 13.21511E+2 00E+0 00E+0 + +Hillebrandite +Ca2SiO3(OH)2:0.17H2O = 2 Ca+2 - 4 H+ + H4(SiO4) + 1.17 H2O + log_k 36.95 #10BLA/BOU1 + delta_h -219.135 #kJ/mol +# Enthalpy of formation: -2662.480 kJ/mol 56NEW + -analytic -14.40804E-1 00E+0 11.44622E+3 00E+0 00E+0 + -Vm 72.58 HMontmorillonite-BCCa -Ca0.17Mg0.34Al1.66Si4O10(OH)2:4.45H2O = 0.170Ca+2 + 0.340Mg+2 + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) + 0.450H2O - log_k 2.200 - delta_h -118.557 #kJ/mol - # Enthalpy of formation: -6999.676 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -1.85703E+1 0E+0 6.19265E+3 0E+0 0E+0 +Ca0.17Mg0.34Al1.66Si4O10(OH)2:4.45H2O = 0.17 Ca+2 + 0.34 Mg+2 + 1.66 Al+3 - 6 H+ + 4 H4(SiO4) + 0.45 H2O + log_k 2.18 + delta_h -118.558 #kJ/mol +# Enthalpy of formation: -6999.676 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -18.59047E+0 00E+0 61.92716E+2 00E+0 00E+0 + -Vm 216.02 HMontmorillonite-BCK -K0.34Mg0.34Al1.66Si4O10(OH)2:1.96H2O = 0.340Mg+2 + 0.340K+ + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 2.040H2O - log_k 2.090 - delta_h -123.828 #kJ/mol - # Enthalpy of formation: -6276.107 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -1.96037E+1 0E+0 6.46798E+3 0E+0 0E+0 +K0.34Mg0.34Al1.66Si4O10(OH)2:1.96H2O = 0.34 Mg+2 + 0.34 K+ + 1.66 Al+3 - 6 H+ + 4 H4(SiO4) - 2.04 H2O + log_k 2.07 + delta_h -123.827 #kJ/mol +# Enthalpy of formation: -6276.107 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -19.62356E+0 00E+0 64.67935E+2 00E+0 00E+0 + -Vm 170.13 HMontmorillonite-BCMg -Mg0.17Mg0.34Al1.66Si4O10(OH)2:4.61H2O = 0.510Mg+2 + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) + 0.610H2O - log_k 2.350 - delta_h -118.107 #kJ/mol - # Enthalpy of formation: -7032.939 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -1.83414E+1 0E+0 6.16915E+3 0E+0 0E+0 +Mg0.17Mg0.34Al1.66Si4O10(OH)2:4.61H2O = 0.51 Mg+2 + 1.66 Al+3 - 6 H+ + 4 H4(SiO4) + 0.61 H2O + log_k 2.33 + delta_h -118.107 #kJ/mol +# Enthalpy of formation: -7032.939 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -18.36146E+0 00E+0 61.69158E+2 00E+0 00E+0 + -Vm 214.08 HMontmorillonite-BCNa -Na0.34Mg0.34Al1.66Si4O10(OH)2:3.84H2O = 0.340Mg+2 + 0.340Na+ + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 0.160H2O - log_k 1.790 - delta_h -128.688 #kJ/mol - # Enthalpy of formation: -6804.595 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -2.07551E+1 0E+0 6.72183E+3 0E+0 0E+0 +Na0.34Mg0.34Al1.66Si4O10(OH)2:3.84H2O = 0.34 Mg+2 + 0.34 Na+ + 1.66 Al+3 - 6 H+ + 4 H4(SiO4) - 0.16 H2O + log_k 1.77 + delta_h -128.688 #kJ/mol +# Enthalpy of formation: -6804.595 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -20.77517E+0 00E+0 67.21842E+2 00E+0 00E+0 + -Vm 203.42 HMontmorillonite-HCCa -Ca0.3Mg0.6Al1.4Si4O10(OH)2:4.45H2O = 0.300Ca+2 + 0.600Mg+2 + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) + 0.450H2O - log_k 6.180 - delta_h -134.133 #kJ/mol - # Enthalpy of formation: -7036.126 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -1.73191E+1 0E+0 7.00624E+3 0E+0 0E+0 +Ca0.3Mg0.6Al1.4Si4O10(OH)2:4.45H2O = 0.3 Ca+2 + 0.6 Mg+2 + 1.4 Al+3 - 6 H+ + 4 H4(SiO4) + 0.45 H2O + log_k 6.15 + delta_h -134.134 #kJ/mol +# Enthalpy of formation: -7036.126 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -17.34927E+0 00E+0 70.06307E+2 00E+0 00E+0 + -Vm 220.76 HMontmorillonite-HCK -K0.6Mg0.6Al1.4Si4O10(OH)2:1.96H2O = 0.600Mg+2 + 0.600K+ + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 2.040H2O - log_k 4.260 - delta_h -119.730 #kJ/mol - # Enthalpy of formation: -6327.197 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -1.67158E+1 0E+0 6.25392E+3 0E+0 0E+0 +K0.6Mg0.6Al1.4Si4O10(OH)2:1.96H2O = 0.6 Mg+2 + 0.6 K+ + 1.4 Al+3 - 6 H+ + 4 H4(SiO4) - 2.04 H2O + log_k 4.24 + delta_h -119.73 #kJ/mol +# Enthalpy of formation: -6327.197 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -16.7358E+0 00E+0 62.53933E+2 00E+0 00E+0 + -Vm 174.18 HMontmorillonite-HCMg -Mg0.3Mg0.6Al1.4Si4O10(OH)2:4.61H2O = 0.900Mg+2 + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) + 0.610H2O - log_k 6.500 - delta_h -133.713 #kJ/mol - # Enthalpy of formation: -7059.479 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -1.69255E+1 0E+0 6.98431E+3 0E+0 0E+0 +Mg0.3Mg0.6Al1.4Si4O10(OH)2:4.61H2O = 0.9 Mg+2 + 1.4 Al+3 - 6 H+ + 4 H4(SiO4) + 0.61 H2O + log_k 6.47 + delta_h -133.713 #kJ/mol +# Enthalpy of formation: -7059.479 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -16.95551E+0 00E+0 69.84316E+2 00E+0 00E+0 + -Vm 215.18 HMontmorillonite-HCNa -Na0.6Mg0.6Al1.4Si4O10(OH)2:3.84H2O = 0.600Mg+2 + 0.600Na+ + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 0.160H2O - log_k 4.560 - delta_h -132.493 #kJ/mol - # Enthalpy of formation: -6844.715 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -1.86517E+1 0E+0 6.92058E+3 0E+0 0E+0 +Na0.6Mg0.6Al1.4Si4O10(OH)2:3.84H2O = 0.6 Mg+2 + 0.6 Na+ + 1.4 Al+3 - 6 H+ + 4 H4(SiO4) - 0.16 H2O + log_k 4.54 + delta_h -132.492 #kJ/mol +# Enthalpy of formation: -6844.715 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -18.6716E+0 00E+0 69.20539E+2 00E+0 00E+0 + -Vm 206.92 HNontronite-Ca -Ca0.17Fe1.67Al0.67Si3.66O10(OH)2:4.45H2O = 0.170Ca+2 + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.810H2O - log_k -2.830 - delta_h -109.854 #kJ/mol - # Enthalpy of formation: -6290.336 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -2.20756E+1 0E+0 5.73807E+3 0E+0 0E+0 +Ca0.17Fe1.67Al0.67Si3.66O10(OH)2:4.45H2O = 0.17 Ca+2 + 1.67 Fe+3 + 0.67 Al+3 - 7.36 H+ + 3.66 H4(SiO4) + 1.81 H2O + log_k -2.89 + delta_h -111.618 #kJ/mol +# Enthalpy of formation: -6290.336 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -22.44463E+0 00E+0 58.30214E+2 00E+0 00E+0 + -Vm 214.18 HNontronite-K -K0.34Fe1.67Al0.67Si3.66O10(OH)2:1.96H2O = 0.340K+ + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) - 0.680H2O - log_k -2.700 - delta_h -116.514 #kJ/mol - # Enthalpy of formation: -5565.377 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -2.31123E+1 0E+0 6.08594E+3 0E+0 0E+0 +K0.34Fe1.67Al0.67Si3.66O10(OH)2:1.96H2O = 0.34 K+ + 1.67 Fe+3 + 0.67 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 0.68 H2O + log_k 0.38 + delta_h -118.278 #kJ/mol +# Enthalpy of formation: -5565.377 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -20.34142E+0 00E+0 61.7809E+2 00E+0 00E+0 + -Vm 168.28 HNontronite-Mg -Mg0.17Fe1.67Al0.67Si3.66O10(OH)2:4.61H2O = 0.170Mg+2 + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.970H2O - log_k -2.530 - delta_h -109.254 #kJ/mol - # Enthalpy of formation: -6323.749 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -2.16705E+1 0E+0 5.70673E+3 0E+0 0E+0 +Mg0.17Fe1.67Al0.67Si3.66O10(OH)2:4.61H2O = 0.17 Mg+2 + 1.67 Fe+3 + 0.67 Al+3 - 7.36 H+ + 3.66 H4(SiO4) + 1.97 H2O + log_k -2.59 + delta_h -111.018 #kJ/mol +# Enthalpy of formation: -6323.749 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -22.03952E+0 00E+0 57.98874E+2 00E+0 00E+0 + -Vm 212.67 HNontronite-Na -Na0.34Fe1.67Al0.67Si3.66O10(OH)2:3.84H2O = 0.340Na+ + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.200H2O - log_k -3.090 - delta_h -120.885 #kJ/mol - # Enthalpy of formation: -6094.355 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -2.42681E+1 0E+0 6.31425E+3 0E+0 0E+0 +Na0.34Fe1.67Al0.67Si3.66O10(OH)2:3.84H2O = 0.34 Na+ + 1.67 Fe+3 + 0.67 Al+3 - 7.36 H+ + 3.66 H4(SiO4) + 1.2 H2O + log_k -3.14 + delta_h -122.648 #kJ/mol +# Enthalpy of formation: -6094.355 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -24.62701E+0 00E+0 64.06351E+2 00E+0 00E+0 + -Vm 201.57 + +Ho(cr) +Ho = Ho+3 + 3 e- + log_k 118.31 + delta_h -707.042 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 82WAG/EVA + -analytic -55.58441E-1 00E+0 36.93138E+3 00E+0 00E+0 + +Ho(OH)3(am) +Ho(OH)3 = -3 H+ + Ho+3 + 3 H2O + log_k 17.48 #98DIA/RAG + -analytic 17.48E+0 00E+0 00E+0 00E+0 00E+0 + +Ho(OH)3(s) +Ho(OH)3 = -3 H+ + Ho+3 + 3 H2O + log_k 15.43 #98DIA/RAG + -analytic 15.43E+0 00E+0 00E+0 00E+0 00E+0 + +Ho(PO4):xH2O(s) +Ho(PO4) = -2 H+ + Ho+3 + H2(PO4)- + log_k -4.64 #95SPA/BRU + -analytic -46.4E-1 00E+0 00E+0 00E+0 00E+0 + +Ho2(CO3)3(s) +Ho2(CO3)3 = 2 Ho+3 + 3 CO3-2 + log_k -33.8 #95SPA/BRU + -analytic -33.8E+0 00E+0 00E+0 00E+0 00E+0 + +Ho2O3(s) +Ho2O3 = -6 H+ + 2 Ho+3 + 3 H2O + log_k 47.41 + delta_h -390.706 #kJ/mol +# Enthalpy of formation: -1880.868 kJ/mol + -analytic -21.03875E+0 00E+0 20.408E+3 00E+0 00E+0 + +HoCl3:6H2O(s) +HoCl3:6H2O = Ho+3 + 3 Cl- + 6 H2O + log_k 5.39 #95SPA/BRU + delta_h -43.846 #kJ/mol +# Enthalpy of formation: -2879.413 kJ/mol + -analytic -22.91489E-1 00E+0 22.90236E+2 00E+0 00E+0 + +HoF3:0.5H2O(s) +HoF3:0.5H2O = Ho+3 + 3 F- + 0.5 H2O + log_k -16.4 #95SPA/BRU + delta_h -149.007 #kJ/mol +# Enthalpy of formation: -1707.000 kJ/mol 82WAG/EVA + -analytic -42.50491E+0 00E+0 77.83178E+2 00E+0 00E+0 + +HoPO4:H2O(cr) +HoPO4:H2O = -2 H+ + Ho+3 + H2(PO4)- + H2O + log_k -5.56 #97LIU/BYR + -analytic -55.6E-1 00E+0 00E+0 00E+0 00E+0 HSaponite-Ca -Ca0.17Mg3Al0.34Si3.66O10(OH)2:4.45H2O = 0.170Ca+2 + 3.000Mg+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.810H2O - log_k 28.390 - delta_h -239.662 #kJ/mol - # Enthalpy of formation: -7302.026 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -1.35969E+1 0E+0 1.25184E+4 0E+0 0E+0 +Ca0.17Mg3Al0.34Si3.66O10(OH)2:4.45H2O = 0.17 Ca+2 + 3 Mg+2 + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) + 1.81 H2O + log_k 28.36 + delta_h -239.662 #kJ/mol +# Enthalpy of formation: -7302.026 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -13.62698E+0 00E+0 12.51842E+3 00E+0 00E+0 + -Vm 223.01 HSaponite-FeCa -Ca0.17Mg2FeAl0.34Si3.66O10(OH)2:4.45H2O = 0.170Ca+2 + 2.000Mg+2 + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.810H2O - log_k 27.980 - delta_h -235.552 #kJ/mol - # Enthalpy of formation: -6929.136 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -1.32869E+1 0E+0 1.23037E+4 0E+0 0E+0 +Ca0.17Mg2FeAl0.34Si3.66O10(OH)2:4.45H2O = 0.17 Ca+2 + 2 Mg+2 + Fe+2 + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) + 1.81 H2O + log_k 27.97 + delta_h -235.847 #kJ/mol +# Enthalpy of formation: -6929.136 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -13.34862E+0 00E+0 12.31915E+3 00E+0 00E+0 + -Vm 225.59 HSaponite-FeK -K0.34Mg2FeAl0.34Si3.66O10(OH)2:1.96H2O = 2.000Mg+2 + 0.340K+ + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 0.680H2O - log_k 28.110 - delta_h -242.212 #kJ/mol - # Enthalpy of formation: -6204.177 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -1.43237E+1 0E+0 1.26516E+4 0E+0 0E+0 +K0.34Mg2FeAl0.34Si3.66O10(OH)2:1.96H2O = 2 Mg+2 + 0.34 K+ + Fe+2 + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 0.68 H2O + log_k 28.11 + delta_h -242.507 #kJ/mol +# Enthalpy of formation: -6204.177 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -14.3754E+0 00E+0 12.66702E+3 00E+0 00E+0 + -Vm 179.69 HSaponite-FeMg -Mg0.17Mg2FeAl0.34Si3.66O10(OH)2:4.61H2O = 2.170Mg+2 + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.970H2O - log_k 28.070 - delta_h -234.962 #kJ/mol - # Enthalpy of formation: -6962.539 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -1.30935E+1 0E+0 1.22729E+4 0E+0 0E+0 +Mg0.17Mg2FeAl0.34Si3.66O10(OH)2:4.61H2O = 2.17 Mg+2 + Fe+2 + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) + 1.97 H2O + log_k 28.07 + delta_h -235.257 #kJ/mol +# Enthalpy of formation: -6962.539 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -13.14526E+0 00E+0 12.28833E+3 00E+0 00E+0 + -Vm 223.85 HSaponite-FeNa -Na0.34Mg2FeAl0.34Si3.66O10(OH)2:3.84H2O = 2.000Mg+2 + 0.340Na+ + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.200H2O - log_k 27.720 - delta_h -246.583 #kJ/mol - # Enthalpy of formation: -6733.155 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -1.54794E+1 0E+0 1.28799E+4 0E+0 0E+0 +Na0.34Mg2FeAl0.34Si3.66O10(OH)2:3.84H2O = 2 Mg+2 + 0.34 Na+ + Fe+2 + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) + 1.2 H2O + log_k 27.72 + delta_h -246.878 #kJ/mol +# Enthalpy of formation: -6733.155 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -15.53117E+0 00E+0 12.89534E+3 00E+0 00E+0 + -Vm 212.99 HSaponite-K -K0.34Mg3Al0.34Si3.66O10(OH)2:1.96H2O = 3.000Mg+2 + 0.340K+ + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 0.680H2O - log_k 28.520 - delta_h -246.322 #kJ/mol - # Enthalpy of formation: -6577.067 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -1.46337E+1 0E+0 1.28663E+4 0E+0 0E+0 +K0.34Mg3Al0.34Si3.66O10(OH)2:1.96H2O = 3 Mg+2 + 0.34 K+ + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 0.68 H2O + log_k 28.49 + delta_h -246.322 #kJ/mol +# Enthalpy of formation: -6577.067 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -14.66376E+0 00E+0 12.86629E+3 00E+0 00E+0 + -Vm 177.11 HSaponite-Mg -Mg0.17Mg3Al0.34Si3.66O10(OH)2:4.61H2O = 3.170Mg+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.970H2O - log_k 28.510 - delta_h -239.062 #kJ/mol - # Enthalpy of formation: -7335.439 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -1.33718E+1 0E+0 1.24871E+4 0E+0 0E+0 +Mg0.17Mg3Al0.34Si3.66O10(OH)2:4.61H2O = 3.17 Mg+2 + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) + 1.97 H2O + log_k 28.48 + delta_h -239.062 #kJ/mol +# Enthalpy of formation: -7335.439 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -13.40186E+0 00E+0 12.48708E+3 00E+0 00E+0 + -Vm 221.08 HSaponite-Na -Na0.34Mg3Al0.34Si3.66O10(OH)2:3.84H2O = 3.000Mg+2 + 0.340Na+ + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.200H2O - log_k 28.130 - delta_h -250.693 #kJ/mol - # Enthalpy of formation: -7106.45 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -1.57895E+1 0E+0 1.30946E+4 0E+0 0E+0 +Na0.34Mg3Al0.34Si3.66O10(OH)2:3.84H2O = 3 Mg+2 + 0.34 Na+ + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) + 1.2 H2O + log_k 28.03 + delta_h -250.288 #kJ/mol +# Enthalpy of formation: -7106.450 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -15.81858E+0 00E+0 13.07345E+3 00E+0 00E+0 + -Vm 210.4 HVermiculite-Ca -Ca0.43Mg3.00Si3.14Al0.86O10(OH)2:4.45H2O = 0.430Ca+2 + 3.000Mg+2 + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) + 3.890H2O - log_k 97.850 - delta_h -683.046 #kJ/mol - # Enthalpy of formation: -7114.496 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -2.18143E+1 0E+0 3.56779E+4 0E+0 0E+0 +Ca0.43Mg3Si3.14Al0.86O10(OH)2:4.45H2O = 0.43 Ca+2 + 3 Mg+2 + 0.86 Al+3 - 9.44 H+ + 3.14 H4(SiO4) + 3.89 H2O + log_k 97.82 + delta_h -683.046 #kJ/mol +# Enthalpy of formation: -7114.496 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -21.84452E+0 00E+0 35.67798E+3 00E+0 00E+0 + -Vm 219.36 HVermiculite-K -K0.86Mg3.00Si3.14Al0.86O10(OH)2:1.96H2O = 3.000Mg+2 + 0.860K+ + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) + 1.400H2O - log_k 87.710 - delta_h -609.749 #kJ/mol - # Enthalpy of formation: -6459.427 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -1.91133E+1 0E+0 3.18494E+4 0E+0 0E+0 +K0.86Mg3Si3.14Al0.86O10(OH)2:1.96H2O = 3 Mg+2 + 0.86 K+ + 0.86 Al+3 - 9.44 H+ + 3.14 H4(SiO4) + 1.4 H2O + log_k 87.68 + delta_h -609.749 #kJ/mol +# Enthalpy of formation: -6459.427 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -19.14344E+0 00E+0 31.84941E+3 00E+0 00E+0 + -Vm 175.49 HVermiculite-Mg -Mg0.43Mg3.00Si3.14Al0.86O10(OH)2:4.61H2O = 3.430Mg+2 + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) + 4.050H2O - log_k 68.210 - delta_h -523.376 #kJ/mol - # Enthalpy of formation: -7287.219 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -2.34814E+1 0E+0 2.73378E+4 0E+0 0E+0 +Mg0.43Mg3Si3.14Al0.86O10(OH)2:4.61H2O = 3.43 Mg+2 + 0.86 Al+3 - 9.44 H+ + 3.14 H4(SiO4) + 4.05 H2O + log_k 68.18 + delta_h -523.376 #kJ/mol +# Enthalpy of formation: -7287.219 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -23.51154E+0 00E+0 27.33783E+3 00E+0 00E+0 + -Vm 222.24 HVermiculite-Na -Na0.86Mg3.00Si3.14Al0.86O10(OH)2:3.84H2O = 3.000Mg+2 + 0.860Na+ + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) + 3.280H2O - log_k 96.550 - delta_h -673.353 #kJ/mol - # Enthalpy of formation: -6923.035 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -2.14162E+1 0E+0 3.51716E+4 0E+0 0E+0 - -Halite -NaCl = 1.000Na+ + 1.000Cl- - log_k 1.590 - delta_h 3.700 #kJ/mol - # Enthalpy of formation: -411.12 #kJ/mol #98CHA - -analytic 2.23821E+0 0E+0 -1.93264E+2 0E+0 0E+0 - -Halloysite -Al2Si2O5(OH)4 = 2.000Al+3 - 6.000H+ + 2.000H4(SiO4) + 1.000H2O - log_k 10.320 - delta_h -192.418 #kJ/mol - # Enthalpy of formation: -4092.6 #kJ/mol #99DEL/NAV - -analytic -2.33901E+1 0E+0 1.00507E+4 0E+0 0E+0 - -Hausmannite -Mn3O4 = 3.000Mn+2 - 6.000H+ + 3.000H2O + 0.500O2 - log_k 18.330 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.833E+1 0E+0 0E+0 0E+0 0E+0 - -Heazlewoodite -Ni3S2 = 3.000Ni+2 - 4.000H+ + 2.000HS- + 1.000H2O - 0.500O2 - log_k 25.760 - delta_h -260.199 #kJ/mol - # Enthalpy of formation: -217.2 #kJ/mol #05GAM/BUG - -analytic -1.98248E+1 0E+0 1.35911E+4 0E+0 0E+0 - -Hematite -Fe2O3 = 2.000Fe+3 - 6.000H+ + 3.000H2O - log_k -1.020 #05GRI - delta_h -123.679 #kJ/mol - # Enthalpy of formation: -831.811 #kJ/mol - -analytic -2.26876E+1 0E+0 6.46019E+3 0E+0 0E+0 - -Hemicarboaluminate -Ca6O6:Al4O6:CaCO3:Ca(OH)2:21H2O = 8.000Ca+2 + 4.000Al+3 - 26.000H+ + 1.000CO3-2 + 35.000H2O - log_k 173.200 #07MAT/LOT1 - delta_h -1188.595 #kJ/mol - # Enthalpy of formation: -15988.285 #kJ/mol - -analytic -3.50326E+1 0E+0 6.20845E+4 0E+0 0E+0 - -Herzenbergite -SnS = 1.000Sn+2 - 1.000H+ + 1.000HS- - log_k -16.210 - delta_h 83.683 #kJ/mol - # Enthalpy of formation: -109.6 #kJ/mol #12GAM/GAJ - -analytic -1.54939E+0 0E+0 -4.37106E+3 0E+0 0E+0 - -Heulandite_Ca -Ca1.07Al2.14Si6.86O18:6.17H2O = 1.070Ca+2 + 2.140Al+3 - 8.560H+ + 6.860H4(SiO4) - 3.270H2O - log_k 2.460 #09BLA - delta_h -155.113 #kJ/mol - # Enthalpy of formation: -10667.2 #kJ/mol #09BLA - -analytic -2.47146E+1 0E+0 8.1021E+3 0E+0 0E+0 - -Heulandite_Na -Na2.14Al2.14Si6.86O18:6.17H2O = 2.140Na+ + 2.140Al+3 - 8.560H+ + 6.860H4(SiO4) - 3.270H2O - log_k 2.800 #09BLA - delta_h -142.780 #kJ/mol - # Enthalpy of formation: -10612.85 #kJ/mol #09BLA - -analytic -2.22139E+1 0E+0 7.45791E+3 0E+0 0E+0 - -Hexahydrite -Mg(SO4):6H2O = 1.000Mg+2 + 1.000SO4-2 + 6.000H2O - log_k -1.640 #84HAR/MOL - delta_h -4.625 #kJ/mol - # Enthalpy of formation: -3086.695 #kJ/mol - -analytic -2.45026E+0 0E+0 2.4158E+2 0E+0 0E+0 - -Hf(HPO4)2:H2O(s) -Hf(HPO4)2:H2O = - 2.000H+ + 2.000H2(PO4)- + 1.000Hf+4 + 1.000H2O - log_k -21.050 #25HEV/KIM recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: -3481.6 #kJ/mol #97KAR/CHE - -analytic -2.105E+1 0E+0 0E+0 0E+0 0E+0 - -#Hf(cr) -#Hf = 1.000Hf+4 + 2.000H2O - 4.000H+ - 1.000O2 - # log_k - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol - # -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -HfO2(am) -HfO2 = - 4.000H+ + 1.000Hf+4 + 2.000H2O - log_k 0.900 #01RAI/XIA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: -1101.7 #kJ/mol #98KAR/CHE - -analytic 9E-1 0E+0 0E+0 0E+0 0E+0 - -HfO2(cr) -HfO2 = - 4.000H+ + 1.000Hf+4 + 2.000H2O - log_k -5.600 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: -1117.63 #kJ/mol #75KOR/USH - -analytic -5.6E+0 0E+0 0E+0 0E+0 0E+0 - -Hg2SeO3(s) -Hg2SeO3 = 1.000SeO3-2 + 1.000Hg2+2 - log_k -15.200 #05OLI/NOL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.52E+1 0E+0 0E+0 0E+0 0E+0 - -HgSeO3(s) -HgSeO3 = 1.000Hg+2 + 1.000SeO3-2 - log_k -16.200 #05OLI/NOL - delta_h 36.650 #kJ/mol - # Enthalpy of formation: -373.6 #kJ/mol #05OLI/NOL - -analytic -9.77921E+0 0E+0 -1.91436E+3 0E+0 0E+0 - -Hillebrandite -Ca2SiO3(OH)2:0.17H2O = 2.000Ca+2 - 4.000H+ + 1.000H4(SiO4) + 1.170H2O - log_k 36.950 #10BLA/BOU1 - delta_h -219.135 #kJ/mol - # Enthalpy of formation: -2662.48 #kJ/mol #56NEW - -analytic -1.44075E+0 0E+0 1.14462E+4 0E+0 0E+0 - -Ho(OH)3(am) -Ho(OH)3 = - 3.000H+ + 1.000Ho+3 + 3.000H2O - log_k 17.480 #98DIA/RAG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.748E+1 0E+0 0E+0 0E+0 0E+0 - -Ho(OH)3(s) -Ho(OH)3 = - 3.000H+ + 1.000Ho+3 + 3.000H2O - log_k 15.430 #98DIA/RAG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.543E+1 0E+0 0E+0 0E+0 0E+0 - -Ho(PO4):xH2O(s) -Ho(PO4) = - 2.000H+ + 1.000Ho+3 + 1.000H2(PO4)- - log_k -4.640 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.64E+0 0E+0 0E+0 0E+0 0E+0 - -Ho(cr) -Ho = 1.000Ho+3 + 1.500H2O - 3.000H+ - 0.750O2 - log_k 182.795 - delta_h -1126.687 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #82WAG/EVA - -analytic -1.45917E+1 0E+0 5.88508E+4 0E+0 0E+0 - -Ho2(CO3)3(cr) -Ho2(CO3)3 = 2.000Ho+3 + 3.000CO3-2 - log_k -33.800 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.38E+1 0E+0 0E+0 0E+0 0E+0 - -Ho2O3(s) -Ho2O3 = - 6.000H+ + 2.000Ho+3 + 3.000H2O - log_k 47.410 - delta_h -390.718 #kJ/mol - # Enthalpy of formation: -1880.856 #kJ/mol - -analytic -2.10408E+1 0E+0 2.04086E+4 0E+0 0E+0 - -HoCl3:6H2O(s) -HoCl3:6H2O = 1.000Ho+3 + 3.000Cl- + 6.000H2O - log_k 5.390 #95SPA/BRU - delta_h -43.855 #kJ/mol - # Enthalpy of formation: -2879.407 #kJ/mol - -analytic -2.29305E+0 0E+0 2.2907E+3 0E+0 0E+0 - -HoF3:0.5H2O(s) -HoF3:0.5H2O = 1.000Ho+3 + 3.000F- + 0.500H2O - log_k -16.400 #95SPA/BRU - delta_h -149.007 #kJ/mol - # Enthalpy of formation: -1707 #kJ/mol #82WAG/EVA - -analytic -4.25049E+1 0E+0 7.78317E+3 0E+0 0E+0 - -HoPO4:H2O(cr) -HoPO4:H2O = - 2.000H+ + 1.000Ho+3 + 1.000H2(PO4)- + 1.000H2O - log_k -5.560 #97LIU/BYR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.56E+0 0E+0 0E+0 0E+0 0E+0 +Na0.86Mg3Si3.14Al0.86O10(OH)2:3.84H2O = 3 Mg+2 + 0.86 Na+ + 0.86 Al+3 - 9.44 H+ + 3.14 H4(SiO4) + 3.28 H2O + log_k 96.52 + delta_h -673.353 #kJ/mol +# Enthalpy of formation: -6923.035 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -21.44638E+0 00E+0 35.17168E+3 00E+0 00E+0 + -Vm 210.12 Hydrocerussite -Pb3(CO3)2(OH)2 = 3.000Pb+2 - 2.000H+ + 2.000CO3-2 + 2.000H2O - log_k -17.910 - delta_h -5.160 #kJ/mol - # Enthalpy of formation: -1914.2 #kJ/mol #83SAN/BAR - -analytic -1.8814E+1 0E+0 2.69525E+2 0E+0 0E+0 +Pb3(CO3)2(OH)2 = 3 Pb+2 - 2 H+ + 2 CO3-2 + 2 H2O + log_k -17.91 + delta_h -5.16 #kJ/mol +# Enthalpy of formation: -1914.200 kJ/mol 83SAN/BAR + -analytic -18.81399E+0 00E+0 26.95256E+1 00E+0 00E+0 Hydrophilite -CaCl2 = 1.000Ca+2 + 2.000Cl- - log_k 11.770 - delta_h -81.360 #kJ/mol - # Enthalpy of formation: -795.8 #kJ/mol #98CHA - -analytic -2.48364E+0 0E+0 4.24972E+3 0E+0 0E+0 +CaCl2 = Ca+2 + 2 Cl- + log_k 11.77 + delta_h -81.36 #kJ/mol +# Enthalpy of formation: -795.800 kJ/mol 98CHA + -analytic -24.8366E-1 00E+0 42.49729E+2 00E+0 00E+0 Hydrotalcite -Mg4Al2(OH)14:3H2O = 4.000Mg+2 + 2.000Al+3 - 14.000H+ + 17.000H2O - log_k 73.740 #92ATK/GLA - delta_h -583.985 #kJ/mol - # Enthalpy of formation: -7219.925 #kJ/mol - -analytic -2.85696E+1 0E+0 3.05036E+4 0E+0 0E+0 +Mg4Al2(OH)14:3H2O = 4 Mg+2 + 2 Al+3 - 14 H+ + 17 H2O + log_k 73.74 #92ATK/GLA + delta_h -584.22 #kJ/mol +# Enthalpy of formation: -7219.684 kJ/mol + -analytic -28.61095E+0 00E+0 30.51594E+3 00E+0 00E+0 + -Vm 227.36 Hydrotalcite-CO3 -Mg4Al2(OH)12CO3:2H2O = 4.000Mg+2 + 2.000Al+3 - 12.000H+ + 1.000CO3-2 + 14.000H2O - log_k 50.860 #03JOH/GLA - delta_h -542.565 #kJ/mol - # Enthalpy of formation: -7079.085 #kJ/mol - -analytic -4.41932E+1 0E+0 2.83401E+4 0E+0 0E+0 +Mg4Al2(OH)12CO3:2H2O = 4 Mg+2 + 2 Al+3 - 12 H+ + CO3-2 + 14 H2O + log_k 50.86 #03JOH/GLA + delta_h -542.756 #kJ/mol +# Enthalpy of formation: -7078.889 kJ/mol + -analytic -44.22677E+0 00E+0 28.35012E+3 00E+0 00E+0 + -Vm 231.46 Hydroxyapatite -Ca5(OH)(PO4)3 = 5.000Ca+2 - 7.000H+ + 3.000H2(PO4)- + 1.000H2O - log_k 14.350 #84NAN - delta_h -178.487 #kJ/mol - # Enthalpy of formation: -6730.143 #kJ/mol - -analytic -1.69195E+1 0E+0 9.32301E+3 0E+0 0E+0 +Ca5(OH)(PO4)3 = 5 Ca+2 - 7 H+ + 3 H2(PO4)- + H2O + log_k 14.35 #84NAN + delta_h -178.487 #kJ/mol +# Enthalpy of formation: -6730.141 kJ/mol + -analytic -16.91958E+0 00E+0 93.23025E+2 00E+0 00E+0 + -Vm 159.6 + +I2(cr) +I2 = -2 e- + 2 I- + log_k 18.12 + delta_h -113.56 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic -17.74858E-1 00E+0 59.31652E+2 00E+0 00E+0 + +Illite/smectite ISCz-1 +(Ca0.092K0.439)(Si3.559Al0.441)(Al1.728Fe0.011Fe0.034Mg0.255)O10(OH)2 = 0.092 Ca+2 + 0.255 Mg+2 + 0.439 K+ + 0.034 Fe+3 + 0.011 Fe+2 + 2.169 Al+3 - 7.764 H+ + 3.559 H4(SiO4) - 2.236 H2O + log_k 10.89 + delta_h -224.089 #kJ/mol +# Enthalpy of formation: -5787.400 kJ/mol 14BLA/GAI + -analytic -28.36871E+0 00E+0 11.70498E+3 00E+0 00E+0 + -Vm 137.13 + +Illite_Imt-2 +(Na0.044K0.762)(Si3.387Al0.613)(Al1.427Fe0.292Fe0.084Mg0.241)O10(OH)2 = 0.241 Mg+2 + 0.762 K+ + 0.044 Na+ + 0.292 Fe+3 + 0.084 Fe+2 + 2.04 Al+3 - 8.452 H+ + 3.387 H4(SiO4) - 1.548 H2O + log_k 11.52 + delta_h -231.139 #kJ/mol +# Enthalpy of formation: -5711.250 kJ/mol 12GAI/BLA + -analytic -28.97381E+0 00E+0 12.07323E+3 00E+0 00E+0 + -Vm 139.18 Illite-Al -K0.85Al2.85Si3.15O10(OH)2 = 0.850K+ + 2.850Al+3 - 9.400H+ + 3.150H4(SiO4) - 0.600H2O - log_k 13.020 - delta_h -266.372 #kJ/mol - # Enthalpy of formation: -5913.65 #kJ/mol #15BLA/VIE - -analytic -3.36463E+1 0E+0 1.39136E+4 0E+0 0E+0 +K0.85Al2.85Si3.15O10(OH)2 = 0.85 K+ + 2.85 Al+3 - 9.4 H+ + 3.15 H4(SiO4) - 0.6 H2O + log_k 13.02 + delta_h -266.372 #kJ/mol +# Enthalpy of formation: -5913.650 kJ/mol 15BLA/VIE + -analytic -33.64637E+0 00E+0 13.91358E+3 00E+0 00E+0 + -Vm 138.98 Illite-FeII -K0.85Fe0.25Al2.35Si3.4O10(OH)2 = 0.850K+ + 0.250Fe+2 + 2.350Al+3 - 8.400H+ + 3.400H4(SiO4) - 1.600H2O - log_k 9.450 - delta_h -216.501 #kJ/mol - # Enthalpy of formation: -5796.29 #kJ/mol #15BLA/VIE - -analytic -2.84793E+1 0E+0 1.13086E+4 0E+0 0E+0 +K0.85Fe0.25Al2.35Si3.4O10(OH)2 = 0.85 K+ + 0.25 Fe+2 + 2.35 Al+3 - 8.4 H+ + 3.4 H4(SiO4) - 1.6 H2O + log_k 9.46 + delta_h -216.574 #kJ/mol +# Enthalpy of formation: -5796.290 kJ/mol 15BLA/VIE + -analytic -28.48214E+0 00E+0 11.31245E+3 00E+0 00E+0 + -Vm 140.67 + +Illite-FeIII +K0.85Fe0.25Al2.6Si3.15O10(OH)2 = 0.85 K+ + 0.25 Fe+3 + 2.6 Al+3 - 9.4 H+ + 3.15 H4(SiO4) - 0.6 H2O + log_k 12.36 + delta_h -262.546 #kJ/mol +# Enthalpy of formation: -5795.390 kJ/mol 15BLA/VIE + -analytic -33.63608E+0 00E+0 13.71373E+3 00E+0 00E+0 + -Vm 138.92 Illite-Mg -K0.85Mg0.25Al2.35Si3.4O10(OH)2 = 0.250Mg+2 + 0.850K+ + 2.350Al+3 - 8.400H+ + 3.400H4(SiO4) - 1.600H2O - log_k 11.010 - delta_h -225.651 #kJ/mol - # Enthalpy of formation: -5881.39 #kJ/mol #15BLA/VIE - -analytic -2.85223E+1 0E+0 1.17866E+4 0E+0 0E+0 +K0.85Mg0.25Al2.35Si3.4O10(OH)2 = 0.25 Mg+2 + 0.85 K+ + 2.35 Al+3 - 8.4 H+ + 3.4 H4(SiO4) - 1.6 H2O + log_k 11.01 + delta_h -225.651 #kJ/mol +# Enthalpy of formation: -5881.390 kJ/mol 15BLA/VIE + -analytic -28.52236E+0 00E+0 11.78657E+3 00E+0 00E+0 + -Vm 140.06 Illite-Smec_ISCz-1(2.996H2O) -(Na0.134K0.53)(Si3.565Al0.435)(Al1.717Fe0.05Fe0.017Mg0.218)O10(OH)2:2.996H2O = 0.218Mg+2 + 0.530K+ + 0.134Na+ + 0.050Fe+3 + 0.017Fe+2 + 2.152Al+3 - 7.740H+ + 3.565H4(SiO4) + 0.736H2O - log_k 13.650 - delta_h -225.171 #kJ/mol - # Enthalpy of formation: -6624.62 #kJ/mol #09GAI - -analytic -2.57982E+1 0E+0 1.17615E+4 0E+0 0E+0 - -Illite/smectiteISCz-1 -(Ca0.092K0.439)(Si3.559Al0.441)(Al1.728Fe0.011Fe0.034Mg0.255)O10(OH)2 = 0.092Ca+2 + 0.255Mg+2 + 0.439K+ + 0.034Fe+3 + 0.011Fe+2 + 2.169Al+3 - 7.764H+ + 3.559H4(SiO4) - 2.236H2O - log_k 10.900 - delta_h -224.050 #kJ/mol - # Enthalpy of formation: -5787.4 #kJ/mol #14BLA/GAI - -analytic -2.83518E+1 0E+0 1.17029E+4 0E+0 0E+0 - -Illite_Imt-2 -(Na0.044K0.762)(Si3.387Al0.613)(Al1.427Fe0.292Fe0.084Mg0.241)O10(OH)2 = 0.241Mg+2 + 0.762K+ + 0.044Na+ + 0.292Fe+3 + 0.084Fe+2 + 2.040Al+3 - 8.452H+ + 3.387H4(SiO4) - 1.548H2O - log_k 11.540 - delta_h -230.806 #kJ/mol - # Enthalpy of formation: -5711.25 #kJ/mol #12GAI/BLA - -analytic -2.88954E+1 0E+0 1.20558E+4 0E+0 0E+0 +(Na0.134K0.53)(Si3.565Al0.435)(Al1.717Fe0.05Fe0.017Mg0.218)O10(OH)2:2.996H2O = 0.218 Mg+2 + 0.53 K+ + 0.134 Na+ + 0.05 Fe+3 + 0.017 Fe+2 + 2.152 Al+3 - 7.74 H+ + 3.565 H4(SiO4) + 0.736 H2O + log_k 13.61 + delta_h -225.228 #kJ/mol +# Enthalpy of formation: -6624.620 kJ/mol 09GAI + -analytic -25.84825E+0 00E+0 11.76448E+3 00E+0 00E+0 + -Vm 192.42 Jaffeite -Ca6(Si2O7)(OH)6 = 6.000Ca+2 - 12.000H+ + 2.000H4(SiO4) + 5.000H2O - log_k 114.060 - delta_h -636.768 #kJ/mol - # Enthalpy of formation: -6972.77 #kJ/mol #10BLA/BOU1 - -analytic 2.5032E+0 0E+0 3.32607E+4 0E+0 0E+0 +Ca6(Si2O7)(OH)6 = 6 Ca+2 - 12 H+ + 2 H4(SiO4) + 5 H2O + log_k 114.06 + delta_h -636.768 #kJ/mol +# Enthalpy of formation: -6972.770 kJ/mol 10BLA/BOU1 + -analytic 25.03035E-1 00E+0 33.26071E+3 00E+0 00E+0 + -Vm 174.38 Jennite -Ca9Si6O16(OH)10:6(H2O) = 9.000Ca+2 - 18.000H+ + 6.000H4(SiO4) + 8.000H2O - log_k 147.330 #10BLA/BOU1 - delta_h -751.764 #kJ/mol - # Enthalpy of formation: -15189.04 #kJ/mol #10BLA/BOU1 - -analytic 1.56268E+1 0E+0 3.92673E+4 0E+0 0E+0 - -K(NO3)(s) -K(NO3) = 1.000K+ + 1.000NO3- - log_k -0.100 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1E-1 0E+0 0E+0 0E+0 0E+0 - -K(OH)(s) -K(OH) = 1.000K+ - 1.000H+ + 1.000H2O - log_k 24.600 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.46E+1 0E+0 0E+0 0E+0 0E+0 - -K(TcO4)(s) -K(TcO4) = 1.000K+ + 1.000TcO4- - log_k -2.280 - delta_h 53.560 #kJ/mol - # Enthalpy of formation: -1035.1 #kJ/mol #99RAR/RAN - -analytic 7.1033E+0 0E+0 -2.79763E+3 0E+0 0E+0 +Ca9Si6O16(OH)10:6H2O = 9 Ca+2 - 18 H+ + 6 H4(SiO4) + 8 H2O + log_k 147.33 #10BLA/BOU1 + delta_h -751.764 #kJ/mol +# Enthalpy of formation: -15189.040kJ/mol 10BLA/BOU1 + -analytic 15.6266E+0 00E+0 39.26737E+3 00E+0 00E+0 + -Vm 456.4 K(cr) -K = 1.000K+ + 0.500H2O - 1.000H+ - 0.250O2 - log_k 70.985 - delta_h -392.022 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #89COX/WAG - -analytic 2.30588E+0 0E+0 2.04767E+4 0E+0 0E+0 +K = K+ + e- + log_k 49.49 + delta_h -252.14 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic 53.16968E-1 00E+0 13.17019E+3 00E+0 00E+0 -K-carbonate -K2CO3:1.5H2O = 2.000K+ + 1.000CO3-2 + 1.500H2O - log_k 3.030 #84HAR/MOL - delta_h -1.188 #kJ/mol - # Enthalpy of formation: -1607.067 #kJ/mol - -analytic 2.82187E+0 0E+0 6.20535E+1 0E+0 0E+0 +K(NO3)(s) +K(NO3) = K+ + NO3- + log_k -0.1 #96FAL/REA + -analytic -10E-2 00E+0 00E+0 00E+0 00E+0 -K-trona -K2NaH(CO3)2:2H2O = 2.000K+ + 1.000Na+ + 1.000H+ + 2.000CO3-2 + 2.000H2O - log_k -9.100 #84HAR/MOL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -9.1E+0 0E+0 0E+0 0E+0 0E+0 +K(OH)(s) +K(OH) = K+ - H+ + H2O + log_k 24.6 #96FAL/REA + -analytic 24.6E+0 00E+0 00E+0 00E+0 00E+0 K2CO3(cr) -K2CO3 = 2.000K+ + 1.000CO3-2 - log_k 5.410 - delta_h -31.798 #kJ/mol - # Enthalpy of formation: -1147.712 #kJ/mol - -analytic -1.60762E-1 0E+0 1.66092E+3 0E+0 0E+0 +K2CO3 = 2 K+ + CO3-2 + log_k 5.41 + delta_h -31.798 #kJ/mol 74NAU/RYZ +# Enthalpy of formation: -1147.712 kJ/mol + -analytic -16.07705E-2 00E+0 16.60925E+2 00E+0 00E+0 K2O(s) -K2O = 2.000K+ - 2.000H+ + 1.000H2O - log_k 84.110 - delta_h -426.940 #kJ/mol - # Enthalpy of formation: -363.17 #kJ/mol #98CHA - -analytic 9.31343E+0 0E+0 2.23006E+4 0E+0 0E+0 - -K4NpO2(CO3)3(s) -K4NpO2(CO3)3 = 4.000K+ + 1.000NpO2+2 + 3.000CO3-2 - log_k -26.400 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.64E+1 0E+0 0E+0 0E+0 0E+0 +K2O = 2 K+ - 2 H+ + H2O + log_k 84.11 + delta_h -426.94 #kJ/mol +# Enthalpy of formation: -363.170 kJ/mol 98CHA + -analytic 93.13323E-1 00E+0 22.30063E+3 00E+0 00E+0 + +K3NpO2(CO3)2(cr) +K3NpO2(CO3)2 = 3 K+ + NpO2+ + 2 CO3-2 + log_k -15.46 #03GUI/FAN + -analytic -15.46E+0 00E+0 00E+0 00E+0 00E+0 + +K4NpO2(CO3)3(cr) +K4NpO2(CO3)3 = 4 K+ + NpO2+2 + 3 CO3-2 + log_k -26.93 #01LEM/FUG + -analytic -26.93E+0 00E+0 00E+0 00E+0 00E+0 + +Kainite +KMgCl(SO4):3H2O = Mg+2 + K+ + SO4-2 + Cl- + 3 H2O + log_k -0.19 #84HAR/MOL + delta_h -12.95 #kJ/mol +# Enthalpy of formation: -2640.100 kJ/mol 82WAG/EVA + -analytic -24.58743E-1 00E+0 67.64256E+1 00E+0 00E+0 + +KAl(OH)4 +KAl(OH)4 = K+ + Al+3 - 4 H+ + 4 H2O + log_k 24.22 + delta_h -211.675 #kJ/mol +# Enthalpy of formation: -1722.185 kJ/mol 97POK/HEL2 + -analytic -12.86387E+0 00E+0 11.05656E+3 00E+0 00E+0 KAl(SO4)2(s) -KAl(SO4)2 = 1.000K+ + 1.000Al+3 + 2.000SO4-2 - log_k 3.740 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.74E+0 0E+0 0E+0 0E+0 0E+0 +KAl(SO4)2 = K+ + Al+3 + 2 SO4-2 + log_k 3.74 #96FAL/REA + -analytic 37.4E-1 00E+0 00E+0 00E+0 00E+0 KAl(SO4)2:12H2O(s) -KAl(SO4)2:12H2O = 1.000K+ + 1.000Al+3 + 2.000SO4-2 + 12.000H2O - log_k -6.680 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.68E+0 0E+0 0E+0 0E+0 0E+0 +KAl(SO4)2:12H2O = K+ + Al+3 + 2 SO4-2 + 12 H2O + log_k -6.68 #96FAL/REA + -analytic -66.8E-1 00E+0 00E+0 00E+0 00E+0 + +Kalicinite +KHCO3 = K+ + H+ + CO3-2 + log_k -10.06 #84HAR/MOL + delta_h 34.95 #kJ/mol +# Enthalpy of formation: -962.320 kJ/mol 74NAU/RYZ + -analytic -39.37023E-1 00E+0 -18.25566E+2 00E+0 00E+0 + +Kaolinite +Al2(Si2O5)(OH)4 = 2 Al+3 - 6 H+ + 2 H4(SiO4) + H2O + log_k 6.5 + delta_h -169.718 #kJ/mol +# Enthalpy of formation: -4115.300 kJ/mol 01FIA/NAV + -analytic -23.23332E+0 00E+0 88.64989E+2 00E+0 00E+0 + -Vm 99.34 + +Katoite +Ca3Al2(SiO4)(OH)8 = 3 Ca+2 + 2 Al+3 - 12 H+ + H4(SiO4) + 8 H2O + log_k 71.16 #10BLA/BOU2 + delta_h -545.767 #kJ/mol +# Enthalpy of formation: -5907.865 kJ/mol + -analytic -24.45427E+0 00E+0 28.5074E+3 00E+0 00E+0 + -Vm 141.51 + +K-Boltwoodite +K(UO2)(SiO3OH):H2O = K+ + UO2+2 - 3 H+ + H4(SiO4) + H2O + log_k 4.48 #20GRE/GAO + delta_h -27.146 #kJ/mol +# Enthalpy of formation: -2991.019 kJ/mol + -analytic -27.57751E-2 00E+0 14.17934E+2 00E+0 00E+0 KBr(s) -KBr = 1.000K+ + 1.000Br- - log_k 1.130 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.13E+0 0E+0 0E+0 0E+0 0E+0 +KBr = K+ + Br- + log_k 1.13 #96FAL/REA + -analytic 11.3E-1 00E+0 00E+0 00E+0 00E+0 + +K-carbonate +K2CO3:1.5H2O = 2 K+ + CO3-2 + 1.5 H2O + log_k 3.03 #84HAR/MOL + delta_h -1.188 #kJ/mol +# Enthalpy of formation: -1607.068 kJ/mol + -analytic 28.21871E-1 00E+0 62.05356E+0 00E+0 00E+0 KFe(CrO4)2:2H2O(s) -KFe(CrO4)2:2H2O = 1.000K+ + 1.000Fe+3 + 2.000CrO4-2 + 2.000H2O - log_k -19.390 #98BAR/PAL - delta_h 27.540 #kJ/mol #98BAR/PAL - # Enthalpy of formation: -2658.34 #kJ/mol - -analytic -1.45652E+1 0E+0 -1.43851E+3 0E+0 0E+0 +KFe(CrO4)2:2H2O = K+ + Fe+3 + 2 CrO4-2 + 2 H2O + log_k -19.39 #98BAR/PAL + delta_h 27.54 #kJ/mol 98BAR/PAL +# Enthalpy of formation: -2659.396 kJ/mol + -analytic -14.5652E+0 00E+0 -14.38514E+2 00E+0 00E+0 KFe3(CrO4)2(OH)6(cr) -KFe3(CrO4)2(OH)6 = 1.000K+ + 3.000Fe+3 - 6.000H+ + 2.000CrO4-2 + 6.000H2O - log_k -18.400 #96BAR/PAL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.84E+1 0E+0 0E+0 0E+0 0E+0 +KFe3(CrO4)2(OH)6 = K+ + 3 Fe+3 - 6 H+ + 2 CrO4-2 + 6 H2O + log_k -18.4 #96BAR/PAL + -analytic -18.4E+0 00E+0 00E+0 00E+0 00E+0 + +KH2PO4 +KH2PO4 = K+ + H2(PO4)- + log_k -0.44 #97MAR/SMI + -analytic -44E-2 00E+0 00E+0 00E+0 00E+0 KH2PO4(cr) -KH2PO4 = 1.000K+ + 1.000H2(PO4)- - log_k -0.370 - delta_h 19.686 #kJ/mol #74NAU/RYZ - # Enthalpy of formation: -1574.426 #kJ/mol - -analytic 3.07883E+0 0E+0 -1.02827E+3 0E+0 0E+0 +KH2PO4 = K+ + H2(PO4)- + log_k -0.37 + delta_h 19.686 #kJ/mol 74NAU/RYZ +# Enthalpy of formation: -1574.426 kJ/mol + -analytic 30.78839E-1 00E+0 -10.28271E+2 00E+0 00E+0 KI(s) -KI = 1.000K+ + 1.000I- - log_k 1.740 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.74E+0 0E+0 0E+0 0E+0 0E+0 - -Kainite -KMgCl(SO4):3H2O = 1.000Mg+2 + 1.000K+ + 1.000SO4-2 + 1.000Cl- + 3.000H2O - log_k -0.190 #84HAR/MOL - delta_h -12.950 #kJ/mol - # Enthalpy of formation: -2640.1 #kJ/mol #82WAG/EVA - -analytic -2.45874E+0 0E+0 6.76425E+2 0E+0 0E+0 - -Kalicinite -KHCO3 = 1.000K+ + 1.000H+ + 1.000CO3-2 - log_k -10.060 #84HAR/MOL - delta_h 34.950 #kJ/mol - # Enthalpy of formation: -962.32 #kJ/mol #74NAU/RYZ - -analytic -3.93703E+0 0E+0 -1.82556E+3 0E+0 0E+0 - -Kaolinite -Al2(Si2O5)(OH)4 = 2.000Al+3 - 6.000H+ + 2.000H4(SiO4) + 1.000H2O - log_k 6.510 - delta_h -169.718 #kJ/mol - # Enthalpy of formation: -4115.3 #kJ/mol #01FIA/NAV - -analytic -2.32233E+1 0E+0 8.86498E+3 0E+0 0E+0 +KI = K+ + I- + log_k 1.74 #96FAL/REA + -analytic 17.4E-1 00E+0 00E+0 00E+0 00E+0 + +KNpO2CO3(cr) +KNpO2CO3 = K+ + NpO2+ + CO3-2 + log_k -13.15 #03GUI/FAN + -analytic -13.15E+0 00E+0 00E+0 00E+0 00E+0 + +KTcO4(cr) +KTcO4 = K+ + TcO4- + log_k -2.29 #99RAR/RAN + delta_h 53.26 #kJ/mol 99RAR/RAN +# Enthalpy of formation: -1034.800 kJ/mol + -analytic 70.40751E-1 00E+0 -27.81964E+2 00E+0 00E+0 -Katoite -Ca3Al2(SiO4)(OH)8 = 3.000Ca+2 + 2.000Al+3 - 12.000H+ + 1.000H4(SiO4) + 8.000H2O - log_k 71.160 #10BLA/BOU2 - delta_h -545.657 #kJ/mol - # Enthalpy of formation: -5907.977 #kJ/mol - -analytic -2.44349E+1 0E+0 2.85016E+4 0E+0 0E+0 +K-trona +K2NaH(CO3)2:2H2O = 2 K+ + Na+ + H+ + 2 CO3-2 + 2 H2O + log_k -9.1 #84HAR/MOL + -analytic -91E-1 00E+0 00E+0 00E+0 00E+0 Lanarkite -PbSO4:PbO = 2.000Pb+2 - 2.000H+ + 1.000SO4-2 + 1.000H2O - log_k 2.630 #82ABD/THO - delta_h -39.234 #kJ/mol - # Enthalpy of formation: -1154.096 #kJ/mol - -analytic -4.24349E+0 0E+0 2.04933E+3 0E+0 0E+0 +PbSO4:PbO = 2 Pb+2 - 2 H+ + SO4-2 + H2O + log_k 2.63 #82ABD/THO + delta_h -39.234 #kJ/mol +# Enthalpy of formation: -1154.096 kJ/mol + -analytic -42.43502E-1 00E+0 20.49335E+2 00E+0 00E+0 + +Langite +Cu4SO4(OH)6:H2O = 4 Cu+2 - 6 H+ + SO4-2 + 7 H2O + log_k 17.49 + delta_h -165.074 #kJ/mol +# Enthalpy of formation: -2485.474 kJ/mol + -analytic -11.42972E+0 00E+0 86.22416E+2 00E+0 00E+0 Lansfordite -Mg(CO3):5H2O = 1.000Mg+2 + 1.000CO3-2 + 5.000H2O - log_k -5.040 - delta_h 2.890 #kJ/mol - # Enthalpy of formation: -2574.27 #kJ/mol #99KON/KON - -analytic -4.53369E+0 0E+0 -1.50955E+2 0E+0 0E+0 +Mg(CO3):5H2O = Mg+2 + CO3-2 + 5 H2O + log_k -5.04 + delta_h 2.89 #kJ/mol +# Enthalpy of formation: -2574.270 kJ/mol 99KON/KON + -analytic -45.33694E-1 00E+0 -15.09552E+1 00E+0 00E+0 Laumontite -CaAl2Si4O12:4H2O = 1.000Ca+2 + 2.000Al+3 - 8.000H+ + 4.000H4(SiO4) - log_k 11.700 - delta_h -213.576 #kJ/mol - # Enthalpy of formation: -7251 #kJ/mol #96KIS/NAV - -analytic -2.57169E+1 0E+0 1.11558E+4 0E+0 0E+0 +CaAl2Si4O12:4H2O = Ca+2 + 2 Al+3 - 8 H+ + 4 H4(SiO4) + log_k 11.67 + delta_h -213.576 #kJ/mol +# Enthalpy of formation: -7251.000 kJ/mol 96KIS/NAV + -analytic -25.74691E+0 00E+0 11.15585E+3 00E+0 00E+0 + -Vm 207.53 Laurionite -PbClOH = 1.000Pb+2 - 1.000H+ + 1.000Cl- + 1.000H2O - log_k 0.620 #99LOT/OCH - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.2E-1 0E+0 0E+0 0E+0 0E+0 +PbClOH = Pb+2 - H+ + Cl- + H2O + log_k 0.62 #99LOT/OCH + -analytic 62E-2 00E+0 00E+0 00E+0 00E+0 Lawrencite -FeCl2 = 1.000Fe+2 + 2.000Cl- - log_k 8.890 - delta_h -82.460 #kJ/mol - # Enthalpy of formation: -341.7 #kJ/mol #95ROB/HEM - -analytic -5.55635E+0 0E+0 4.30718E+3 0E+0 0E+0 +FeCl2 = Fe+2 + 2 Cl- + log_k 8.93 + delta_h -82.921 #kJ/mol +# Enthalpy of formation: -341.534 kJ/mol 13LEM/BER + -analytic -55.97136E-1 00E+0 43.31265E+2 00E+0 00E+0 Leonhardtite -MgSO4:4H2O = 1.000Mg+2 + 1.000SO4-2 + 4.000H2O - log_k -0.890 #80HAR/WEA - delta_h -24.030 #kJ/mol - # Enthalpy of formation: -2495.63 #kJ/mol #74NAU/RYZ - -analytic -5.09987E+0 0E+0 1.25517E+3 0E+0 0E+0 +MgSO4:4H2O = Mg+2 + SO4-2 + 4 H2O + log_k -0.89 #80HAR/WEA + delta_h -24.03 #kJ/mol +# Enthalpy of formation: -2495.630 kJ/mol 74NAU/RYZ + -analytic -50.99875E-1 00E+0 12.55174E+2 00E+0 00E+0 Leonite -K2Mg(SO4)2:4H2O = 1.000Mg+2 + 2.000K+ + 2.000SO4-2 + 4.000H2O - log_k -3.980 #84HAR/MOL - delta_h 15.290 #kJ/mol - # Enthalpy of formation: -3948.57 #kJ/mol #74NAU/RYZ - -analytic -1.30131E+0 0E+0 -7.98651E+2 0E+0 0E+0 +K2Mg(SO4)2:4H2O = Mg+2 + 2 K+ + 2 SO4-2 + 4 H2O + log_k -3.98 #84HAR/MOL + delta_h 15.29 #kJ/mol +# Enthalpy of formation: -3948.570 kJ/mol 74NAU/RYZ + -analytic -13.01307E-1 00E+0 -79.86523E+1 00E+0 00E+0 Lepidocrocite -FeOOH = 1.000Fe+3 - 3.000H+ + 2.000H2O - log_k 0.750 #98DIA2 in 98CHI - delta_h -64.260 #kJ/mol - # Enthalpy of formation: -556.4 #kJ/mol - -analytic -1.05079E+1 0E+0 3.35653E+3 0E+0 0E+0 +FeOOH = Fe+3 - 3 H+ + 2 H2O + log_k 1.86 + delta_h -72.516 #kJ/mol +# Enthalpy of formation: -549.200 kJ/mol 13LEM/BER + -analytic -10.84426E+0 00E+0 37.87774E+2 00E+0 00E+0 + +Li(cr) +Li = e- + Li+ + log_k 51.32 + delta_h -278.47 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic 25.3415E-1 00E+0 14.5455E+3 00E+0 00E+0 + +Liebigite +Ca2UO2(CO3)3:10H2O = 2 Ca+2 + UO2+2 + 3 CO3-2 + 10 H2O + log_k -32.3 #19LEE/AMA + delta_h 55.71 #kJ/mol +# Enthalpy of formation: -7044.700 kJ/mol 20GRE/GAO + -analytic -22.54003E+0 00E+0 -29.09936E+2 00E+0 00E+0 Linnaeite -Co3S4 = 3.000Co+2 - 2.000H+ + 4.000HS- - 1.000H2O + 0.500O2 - log_k -85.750 - delta_h 416.263 #kJ/mol - # Enthalpy of formation: -374.5 #kJ/mol #95ROB/HEM - -analytic -1.2824E+1 0E+0 -2.17429E+4 0E+0 0E+0 +Co3S4 = 3 Co+2 - 4 H+ - 2 e- + 4 HS- + log_k -42.76 + delta_h 136.5 #kJ/mol +# Enthalpy of formation: -374.500 kJ/mol 95ROB/HEM + -analytic -18.84623E+0 00E+0 -71.29892E+2 00E+0 00E+0 Litharge -PbO = 1.000Pb+2 - 2.000H+ + 1.000H2O - log_k 12.630 - delta_h -65.501 #kJ/mol - # Enthalpy of formation: -219.409 #kJ/mol #98CHA - -analytic 1.15473E+0 0E+0 3.42135E+3 0E+0 0E+0 +PbO = Pb+2 - 2 H+ + H2O + log_k 12.63 + delta_h -65.501 #kJ/mol +# Enthalpy of formation: -219.409 kJ/mol 98CHA + -analytic 11.54717E-1 00E+0 34.21356E+2 00E+0 00E+0 Lizardite -Mg3Si2O5(OH)4 = 3.000Mg+2 - 6.000H+ + 2.000H4(SiO4) + 1.000H2O - log_k 33.100 - delta_h -247.218 #kJ/mol - # Enthalpy of formation: -4362 #kJ/mol #04EVA - -analytic -1.02107E+1 0E+0 1.29131E+4 0E+0 0E+0 +Mg3Si2O5(OH)4 = 3 Mg+2 - 6 H+ + 2 H4(SiO4) + H2O + log_k 33.08 + delta_h -247.218 #kJ/mol +# Enthalpy of formation: -4362.000 kJ/mol 04EVA + -analytic -10.23073E+0 00E+0 12.9131E+3 00E+0 00E+0 + -Vm 107.5 Mackinawite -FeS = 1.000Fe+2 - 1.000H+ + 1.000HS- - log_k -3.600 #91DAV - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.6E+0 0E+0 0E+0 0E+0 0E+0 - -Maghemite(disord) -Fe2O3 = 2.000Fe+3 - 6.000H+ + 3.000H2O - log_k 3.310 #98DIA1 in 98CHI - delta_h -149.690 #kJ/mol - # Enthalpy of formation: -805.8 #kJ/mol - -analytic -2.29145E+1 0E+0 7.81884E+3 0E+0 0E+0 - -Maghemite(ord) -Fe2O3 = 2.000Fe+3 - 6.000H+ + 3.000H2O - log_k 3.520 #98DIA1 in 98CHI - delta_h -149.690 #kJ/mol - # Enthalpy of formation: -805.8 #kJ/mol - -analytic -2.27045E+1 0E+0 7.81884E+3 0E+0 0E+0 +FeS = Fe+2 - H+ + HS- + log_k -3.19 #20LEM/PAL + -analytic -31.9E-1 00E+0 00E+0 00E+0 00E+0 + -Vm 20.45 + +Maghemite +Fe2O3 = 2 Fe+3 - 6 H+ + 3 H2O + log_k 2.79 + delta_h -149.612 #kJ/mol +# Enthalpy of formation: -807.990 kJ/mol 13LEM/BER + -analytic -23.4209E+0 00E+0 78.14779E+2 00E+0 00E+0 Magnesite(nat) -MgCO3 = 1.000Mg+2 + 1.000CO3-2 - log_k -8.910 - delta_h -24.290 #kJ/mol - # Enthalpy of formation: -1117.94 #kJ/mol #99KON/KON - -analytic -1.31654E+1 0E+0 1.26875E+3 0E+0 0E+0 +MgCO3 = Mg+2 + CO3-2 + log_k -8.91 + delta_h -24.29 #kJ/mol +# Enthalpy of formation: -1117.940 kJ/mol 99KON/KON + -analytic -13.16543E+0 00E+0 12.68755E+2 00E+0 00E+0 Magnesite(syn) -Mg(CO3) = 1.000Mg+2 + 1.000CO3-2 - log_k -8.100 - delta_h -28.930 #kJ/mol - # Enthalpy of formation: -1113.3 #kJ/mol #95ROB/HEM - -analytic -1.31683E+1 0E+0 1.51112E+3 0E+0 0E+0 +Mg(CO3) = Mg+2 + CO3-2 + log_k -8.1 + delta_h -28.93 #kJ/mol +# Enthalpy of formation: -1113.300 kJ/mol 95ROB/HEM + -analytic -13.16832E+0 00E+0 15.11119E+2 00E+0 00E+0 Magnetite -Fe3O4 = 2.000Fe+3 + 1.000Fe+2 - 8.000H+ + 4.000H2O - log_k 10.410 - delta_h -215.920 #kJ/mol - # Enthalpy of formation: -1115.4 #kJ/mol #88ONE - -analytic -2.74175E+1 0E+0 1.12783E+4 0E+0 0E+0 +Fe3O4 = 2 Fe+3 + Fe+2 - 8 H+ + 4 H2O + log_k 10.34 + delta_h -217.947 #kJ/mol +# Enthalpy of formation: -1115.780 kJ/mol 13LEM/BER + -analytic -27.84268E+0 00E+0 11.38416E+3 00E+0 00E+0 + -Vm 44.52 + +Malachite +Cu2CO3(OH)2 = 2 Cu+2 - 2 H+ + CO3-2 + 2 H2O + log_k -5.18 #91BAL/NOR in 07POW/BRO + delta_h -51.649 #kJ/mol +# Enthalpy of formation: -1065.441 kJ/mol + -analytic -14.22852E+0 00E+0 26.97815E+2 00E+0 00E+0 Manganite -MnOOH = 1.000Mn+2 - 2.000H+ + 1.500H2O + 0.250O2 - log_k 3.775 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.775E+0 0E+0 0E+0 0E+0 0E+0 +MnOOH = Mn+2 - 3 H+ - e- + 2 H2O + log_k 25.27 #96FAL/REA + -analytic 25.27E+0 00E+0 00E+0 00E+0 00E+0 Margarite -CaAl4Si2O10(OH)2 = 1.000Ca+2 + 4.000Al+3 - 14.000H+ + 2.000H4(SiO4) + 4.000H2O - log_k 37.000 - delta_h -518.308 #kJ/mol - # Enthalpy of formation: -6244 #kJ/mol #95ROB/HEM - -analytic -5.38035E+1 0E+0 2.70731E+4 0E+0 0E+0 +CaAl4Si2O10(OH)2 = Ca+2 + 4 Al+3 - 14 H+ + 2 H4(SiO4) + 4 H2O + log_k 36.99 + delta_h -518.308 #kJ/mol +# Enthalpy of formation: -6244.000 kJ/mol 95ROB/HEM + -analytic -53.81366E+0 00E+0 27.07311E+3 00E+0 00E+0 + -Vm 129.63 Massicot -PbO = 1.000Pb+2 - 2.000H+ + 1.000H2O - log_k 12.740 - delta_h -66.848 #kJ/mol - # Enthalpy of formation: -218.062 #kJ/mol #98CHA - -analytic 1.02875E+0 0E+0 3.49171E+3 0E+0 0E+0 +PbO = Pb+2 - 2 H+ + H2O + log_k 12.74 + delta_h -66.848 #kJ/mol +# Enthalpy of formation: -218.062 kJ/mol 98CHA + -analytic 10.28733E-1 00E+0 34.91714E+2 00E+0 00E+0 Melanterite -FeSO4:7H2O = 1.000Fe+2 + 1.000SO4-2 + 7.000H2O - log_k -2.210 #90NOR/PLU - delta_h 20.543 #kJ/mol - # Enthalpy of formation: -3020.693 #kJ/mol - -analytic 1.38897E+0 0E+0 -1.07303E+3 0E+0 0E+0 +FeSO4:7H2O = Fe+2 + SO4-2 + 7 H2O + log_k -2.28 + delta_h 12.067 #kJ/mol +# Enthalpy of formation: -3012.512 kJ/mol 13LEM/BER + -analytic -16.59523E-2 00E+0 -63.03033E+1 00E+0 00E+0 Mercallite -KHSO4 = 1.000K+ + 1.000H+ + 1.000SO4-2 - log_k -1.400 #84HAR/MOL - delta_h -0.590 #kJ/mol - # Enthalpy of formation: -1160.89 #kJ/mol #74NAU/RYZ - -analytic -1.50336E+0 0E+0 3.08178E+1 0E+0 0E+0 +KHSO4 = K+ + H+ + SO4-2 + log_k -1.4 #84HAR/MOL + delta_h -0.59 #kJ/mol +# Enthalpy of formation: -1160.890 kJ/mol 74NAU/RYZ + -analytic -15.03364E-1 00E+0 30.81785E+0 00E+0 00E+0 Merlinoite_K -K1.04Al1.04Si1.96O6:1.69H2O = 1.040K+ + 1.040Al+3 - 4.160H+ + 1.960H4(SiO4) - 0.150H2O - log_k 9.490 - delta_h -105.627 #kJ/mol - # Enthalpy of formation: -3537.6 #kJ/mol #09BLA - -analytic -9.01503E+0 0E+0 5.51727E+3 0E+0 0E+0 +K1.04Al1.04Si1.96O6:1.69H2O = 1.04 K+ + 1.04 Al+3 - 4.16 H+ + 1.96 H4(SiO4) - 0.15 H2O + log_k 9.47 + delta_h -105.627 #kJ/mol +# Enthalpy of formation: -3537.600 kJ/mol 09BLA + -analytic -90.35056E-1 00E+0 55.17282E+2 00E+0 00E+0 + -Vm 112.91 Merlinoite_Na -Na1.04Al1.04Si1.96O6:2.27H2O = 1.040Na+ + 1.040Al+3 - 4.160H+ + 1.960H4(SiO4) + 0.430H2O - log_k 10.300 - delta_h -115.307 #kJ/mol - # Enthalpy of formation: -3681.43 #kJ/mol #09BLA - -analytic -9.90089E+0 0E+0 6.0229E+3 0E+0 0E+0 +Na1.04Al1.04Si1.96O6:2.27H2O = 1.04 Na+ + 1.04 Al+3 - 4.16 H+ + 1.96 H4(SiO4) + 0.43 H2O + log_k 10.29 + delta_h -115.307 #kJ/mol +# Enthalpy of formation: -3681.430 kJ/mol 09BLA + -analytic -99.10919E-1 00E+0 60.22904E+2 00E+0 00E+0 + -Vm 114.04 + +Metacinnabar +HgS = - H+ + HS- + Hg+2 + log_k -38.53 + delta_h 200.41 #kJ/mol +# Enthalpy of formation: -46.500 kJ/mol 95ROB/HEM + -analytic -34.19675E-1 00E+0 -10.46814E+3 00E+0 00E+0 + +Metaschoepite +UO3:2H2O = UO2+2 - 2 H+ + 3 H2O + log_k 5.35 #20GRE/GAO + -analytic 53.5E-1 00E+0 00E+0 00E+0 00E+0 + +Mg(cr) +Mg = Mg+2 + 2 e- + log_k 79.78 + delta_h -467 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic -20.34888E-1 00E+0 24.39311E+3 00E+0 00E+0 Mg(HPO4):3H2O(s) -Mg(HPO4):3H2O = 1.000Mg+2 - 1.000H+ + 1.000H2(PO4)- + 3.000H2O - log_k 1.410 #01WEN/MUS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.41E+0 0E+0 0E+0 0E+0 0E+0 +Mg(HPO4):3H2O = Mg+2 - H+ + H2(PO4)- + 3 H2O + log_k 1.41 #01WEN/MUS + -analytic 14.1E-1 00E+0 00E+0 00E+0 00E+0 Mg(NO3)2(s) -Mg(NO3)2 = 1.000Mg+2 + 2.000NO3- - log_k 15.500 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.55E+1 0E+0 0E+0 0E+0 0E+0 +Mg(NO3)2 = Mg+2 + 2 NO3- + log_k 15.5 #96FAL/REA + -analytic 15.5E+0 00E+0 00E+0 00E+0 00E+0 Mg(NO3)2:6H2O(s) -Mg(NO3)2:6H2O = 1.000Mg+2 + 2.000NO3- + 6.000H2O - log_k 2.580 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.58E+0 0E+0 0E+0 0E+0 0E+0 - -Mg(SO4)(s) -Mg(SO4) = 1.000Mg+2 + 1.000SO4-2 - log_k 9.100 - delta_h -114.550 #kJ/mol - # Enthalpy of formation: -1261.79 #kJ/mol #98CHA - -analytic -1.09683E+1 0E+0 5.98335E+3 0E+0 0E+0 - -Mg(SO4):H2O(s) -Mg(SO4):H2O = 1.000Mg+2 + 1.000SO4-2 + 1.000H2O - log_k -0.120 #84HAR/MOL - delta_h -51.464 #kJ/mol - # Enthalpy of formation: -1610.706 #kJ/mol - -analytic -9.13609E+0 0E+0 2.68815E+3 0E+0 0E+0 +Mg(NO3)2:6H2O = Mg+2 + 2 NO3- + 6 H2O + log_k 2.58 #96FAL/REA + -analytic 25.8E-1 00E+0 00E+0 00E+0 00E+0 Mg(SeO3):6H2O(s) -Mg(SeO3):6H2O = 1.000Mg+2 + 1.000SeO3-2 + 6.000H2O - log_k -5.820 #05OLI/NOL - delta_h 18.070 #kJ/mol - # Enthalpy of formation: -2707.21 #kJ/mol #05OLI/NOL - -analytic -2.65428E+0 0E+0 -9.4386E+2 0E+0 0E+0 +Mg(SeO3):6H2O = Mg+2 + SeO3-2 + 6 H2O + log_k -5.82 #05OLI/NOL + delta_h 18.07 #kJ/mol +# Enthalpy of formation: -2707.210 kJ/mol 05OLI/NOL + -analytic -26.54272E-1 00E+0 -94.38618E+1 00E+0 00E+0 Mg(SeO4):6H2O(s) -Mg(SeO4):6H2O = 1.000Mg+2 + 1.000SeO4-2 + 6.000H2O - log_k -1.133 #05OLI/NOL - delta_h -4.080 #kJ/mol - # Enthalpy of formation: -2781.4 #kJ/mol #05OLI/NOL - -analytic -1.84778E+0 0E+0 2.13113E+2 0E+0 0E+0 +Mg(SeO4):6H2O = Mg+2 + SeO4-2 + 6 H2O + log_k -1.13 #05OLI/NOL + delta_h -4.08 #kJ/mol +# Enthalpy of formation: -2781.400 kJ/mol 05OLI/NOL + -analytic -18.44785E-1 00E+0 21.31132E+1 00E+0 00E+0 -Mg(cr) -Mg = 1.000Mg+2 + 1.000H2O - 2.000H+ - 0.500O2 - log_k 122.770 - delta_h -746.763 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #89COX/WAG - -analytic -8.05707E+0 0E+0 3.90061E+4 0E+0 0E+0 +Mg(SO4)(s) +Mg(SO4) = Mg+2 + SO4-2 + log_k 9.1 + delta_h -114.55 #kJ/mol +# Enthalpy of formation: -1261.790 kJ/mol 98CHA + -analytic -10.9683E+0 00E+0 59.83363E+2 00E+0 00E+0 -Mg-oxychlorur -Mg2Cl(OH)3:4H2O = 2.000Mg+2 - 3.000H+ + 1.000Cl- + 7.000H2O - log_k 26.030 #84HAR/MOL - delta_h -154.690 #kJ/mol - # Enthalpy of formation: -2947.2 #kJ/mol #82WAG/EVA - -analytic -1.07048E+0 0E+0 8.08001E+3 0E+0 0E+0 +Mg(SO4):H2O(s) +Mg(SO4):H2O = Mg+2 + SO4-2 + H2O + log_k -0.12 #84HAR/MOL + delta_h -51.464 #kJ/mol +# Enthalpy of formation: -1610.705 kJ/mol + -analytic -91.36106E-1 00E+0 26.88152E+2 00E+0 00E+0 Mg3(PO4)2(cr) -Mg3(PO4)2 = 3.000Mg+2 - 4.000H+ + 2.000H2(PO4)- - log_k 15.820 #68RAC/SOP - delta_h -214.093 #kJ/mol - # Enthalpy of formation: -3792.107 #kJ/mol - -analytic -2.16874E+1 0E+0 1.11828E+4 0E+0 0E+0 +Mg3(PO4)2 = 3 Mg+2 - 4 H+ + 2 H2(PO4)- + log_k 15.82 #68RAC/SOP + delta_h -214.093 #kJ/mol +# Enthalpy of formation: -3792.106 kJ/mol + -analytic -21.68748E+0 00E+0 11.18286E+3 00E+0 00E+0 Mg3(PO4)2:22H2O(s) -Mg3(PO4)2:22H2O = 3.000Mg+2 - 4.000H+ + 2.000H2(PO4)- + 22.000H2O - log_k 16.000 #63TAY/FRA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.6E+1 0E+0 0E+0 0E+0 0E+0 +Mg3(PO4)2:22H2O = 3 Mg+2 - 4 H+ + 2 H2(PO4)- + 22 H2O + log_k 16 #63TAY/FRA + -analytic 16E+0 00E+0 00E+0 00E+0 00E+0 Mg3(PO4)2:8H2O(s) -Mg3(PO4)2:8H2O = 3.000Mg+2 - 4.000H+ + 2.000H2(PO4)- + 8.000H2O - log_k 13.900 #63TAY/FRA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.39E+1 0E+0 0E+0 0E+0 0E+0 +Mg3(PO4)2:8H2O = 3 Mg+2 - 4 H+ + 2 H2(PO4)- + 8 H2O + log_k 13.9 #63TAY/FRA + -analytic 13.9E+0 00E+0 00E+0 00E+0 00E+0 Mg5(CO3)4(OH)2:4H2O(s) -Mg5(CO3)4(OH)2:4H2O = 5.000Mg+2 - 2.000H+ + 4.000CO3-2 + 6.000H2O - log_k -10.310 - delta_h -234.900 #kJ/mol - # Enthalpy of formation: -6516 #kJ/mol #73ROB/HEM - -analytic -5.14627E+1 0E+0 1.22697E+4 0E+0 0E+0 +Mg5(CO3)4(OH)2:4H2O = 5 Mg+2 - 2 H+ + 4 CO3-2 + 6 H2O + log_k -10.31 + delta_h -234.9 #kJ/mol +# Enthalpy of formation: -6516.000 kJ/mol 73ROB/HEM + -analytic -51.46271E+0 00E+0 12.26968E+3 00E+0 00E+0 MgBr2(s) -MgBr2 = 1.000Mg+2 + 2.000Br- - log_k 27.800 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.78E+1 0E+0 0E+0 0E+0 0E+0 +MgBr2 = Mg+2 + 2 Br- + log_k 27.8 #96FAL/REA + -analytic 27.8E+0 00E+0 00E+0 00E+0 00E+0 MgBr2:6H2O(s) -MgBr2:6H2O = 1.000Mg+2 + 2.000Br- + 6.000H2O - log_k 5.220 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.22E+0 0E+0 0E+0 0E+0 0E+0 +MgBr2:6H2O = Mg+2 + 2 Br- + 6 H2O + log_k 5.22 #96FAL/REA + -analytic 52.2E-1 00E+0 00E+0 00E+0 00E+0 MgCl2(s) -MgCl2 = 1.000Mg+2 + 2.000Cl- - log_k 22.030 - delta_h -159.540 #kJ/mol - # Enthalpy of formation: -641.62 #kJ/mol #98CHA - -analytic -5.92017E+0 0E+0 8.33334E+3 0E+0 0E+0 +MgCl2 = Mg+2 + 2 Cl- + log_k 22.03 + delta_h -159.54 #kJ/mol +# Enthalpy of formation: -641.620 kJ/mol 98CHA + -analytic -59.20208E-1 00E+0 83.33355E+2 00E+0 00E+0 MgCl2:2H2O(s) -MgCl2:2H2O = 1.000Mg+2 + 2.000Cl- + 2.000H2O - log_k 12.900 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.29E+1 0E+0 0E+0 0E+0 0E+0 +MgCl2:2H2O = Mg+2 + 2 Cl- + 2 H2O + log_k 12.9 #96FAL/REA + -analytic 12.9E+0 00E+0 00E+0 00E+0 00E+0 MgCl2:4H2O(s) -MgCl2:4H2O = 1.000Mg+2 + 2.000Cl- + 4.000H2O - log_k 7.440 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7.44E+0 0E+0 0E+0 0E+0 0E+0 +MgCl2:4H2O = Mg+2 + 2 Cl- + 4 H2O + log_k 7.44 #96FAL/REA + -analytic 74.4E-1 00E+0 00E+0 00E+0 00E+0 MgCl2:H2O(s) -MgCl2:H2O = 1.000Mg+2 + 2.000Cl- + 1.000H2O - log_k 16.220 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.622E+1 0E+0 0E+0 0E+0 0E+0 - -MgCrO4(s) -MgCrO4 = 1.000Mg+2 + 1.000CrO4-2 - log_k -86.990 - delta_h 437.600 #kJ/mol - # Enthalpy of formation: -1783.6 #kJ/mol #95ROB/HEM - -analytic -1.03259E+1 0E+0 -2.28574E+4 0E+0 0E+0 +MgCl2:H2O = Mg+2 + 2 Cl- + H2O + log_k 16.22 #96FAL/REA + -analytic 16.22E+0 00E+0 00E+0 00E+0 00E+0 + +MgCr2O4(s) +MgCr2O4 = Mg+2 - 8 H+ + 2 Cr+3 + 4 H2O + log_k 22.17 + delta_h -307.72 #kJ/mol +# Enthalpy of formation: -1783.600 kJ/mol 95ROB/HEM + -analytic -31.74023E+0 00E+0 16.07334E+3 00E+0 00E+0 MgF2(cr) -MgF2 = 1.000Mg+2 + 2.000F- - log_k -9.220 #92GRE/FUG - delta_h -13.500 #kJ/mol - # Enthalpy of formation: -1124.2 #kJ/mol - -analytic -1.15851E+1 0E+0 7.05153E+2 0E+0 0E+0 +MgF2 = Mg+2 + 2 F- + log_k -9.22 + delta_h -13.5 #kJ/mol +# Enthalpy of formation: -1124.200 kJ/mol 92GRE/FUG + -analytic -11.5851E+0 00E+0 70.51541E+1 00E+0 00E+0 MgI2(s) -MgI2 = 1.000Mg+2 + 2.000I- - log_k 35.000 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.5E+1 0E+0 0E+0 0E+0 0E+0 +MgI2 = Mg+2 + 2 I- + log_k 35 #96FAL/REA + -analytic 35E+0 00E+0 00E+0 00E+0 00E+0 MgMoO4(s) -MgMoO4 = 1.000Mg+2 + 1.000MoO4-2 - log_k -0.640 - delta_h -62.967 #kJ/mol - # Enthalpy of formation: -1401.033 #kJ/mol - -analytic -1.16713E+1 0E+0 3.28899E+3 0E+0 0E+0 +MgMoO4 = Mg+2 + MoO4-2 + log_k -0.64 + delta_h -62.966 #kJ/mol +# Enthalpy of formation: -1401.033 kJ/mol + -analytic -11.67117E+0 00E+0 32.88943E+2 00E+0 00E+0 + +Mg-oxychlorur +Mg2Cl(OH)3:4H2O = 2 Mg+2 - 3 H+ + Cl- + 7 H2O + log_k 26.03 #84HAR/MOL + delta_h -154.69 #kJ/mol +# Enthalpy of formation: -2947.200 kJ/mol 82WAG/EVA + -analytic -10.70525E-1 00E+0 80.80021E+2 00E+0 00E+0 Microcline -KAlSi3O8 = 1.000K+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 4.000H2O - log_k 0.050 - delta_h -56.463 #kJ/mol - # Enthalpy of formation: -3974.34 #kJ/mol #99ARN/STE - -analytic -9.84188E+0 0E+0 2.94926E+3 0E+0 0E+0 +KAlSi3O8 = K+ + Al+3 - 4 H+ + 3 H4(SiO4) - 4 H2O + log_k 0.05 + delta_h -56.462 #kJ/mol +# Enthalpy of formation: -3974.340 kJ/mol 99ARN/STE + -analytic -98.41718E-1 00E+0 29.49216E+2 00E+0 00E+0 + -Vm 108.74 Millerite -NiS = 1.000Ni+2 - 1.000H+ + 1.000HS- - log_k -10.130 - delta_h 22.688 #kJ/mol - # Enthalpy of formation: -94 #kJ/mol #05GAM/BUG - -analytic -6.15524E+0 0E+0 -1.18508E+3 0E+0 0E+0 +NiS = Ni+2 - H+ + HS- + log_k -10.13 + delta_h 22.688 #kJ/mol +# Enthalpy of formation: -94.000 kJ/mol 05GAM/BUG + -analytic -61.55233E-1 00E+0 -11.85077E+2 00E+0 00E+0 Minium -Pb3O4 = 3.000Pb+2 - 6.000H+ + 3.000H2O + 0.500O2 - log_k 30.540 - delta_h -142.111 #kJ/mol - # Enthalpy of formation: -718.686 #kJ/mol - -analytic 5.64326E+0 0E+0 7.42296E+3 0E+0 0E+0 +Pb3O4 = 3 Pb+2 - 8 H+ - 2 e- + 4 H2O + log_k 73.53 + delta_h -421.874 #kJ/mol +# Enthalpy of formation: -718.686 kJ/mol 98CHA + -analytic -37.91522E-2 00E+0 22.03601E+3 00E+0 00E+0 Minnesotaite -Fe3Si4O10(OH)2 = 3.000Fe+2 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O - log_k 14.930 - delta_h -148.466 #kJ/mol - # Enthalpy of formation: -4822.99 #kJ/mol #83MIY/KLE - -analytic -1.10801E+1 0E+0 7.75491E+3 0E+0 0E+0 +Fe3Si4O10(OH)2 = 3 Fe+2 - 6 H+ + 4 H4(SiO4) - 4 H2O + log_k 14.99 + delta_h -149.351 #kJ/mol +# Enthalpy of formation: -4822.990 kJ/mol 83MIY/KLE + -analytic -11.17517E+0 00E+0 78.01146E+2 00E+0 00E+0 + -Vm 148.5 Mirabilite -Na2SO4:10H2O = 2.000Na+ + 1.000SO4-2 + 10.000H2O - log_k -1.230 #84HAR/MOL - delta_h 79.471 #kJ/mol - # Enthalpy of formation: -4327.791 #kJ/mol - -analytic 1.26927E+1 0E+0 -4.15105E+3 0E+0 0E+0 +Na2SO4:10H2O = 2 Na+ + SO4-2 + 10 H2O + log_k -1.23 #84HAR/MOL + delta_h 79.471 #kJ/mol +# Enthalpy of formation: -4327.788 kJ/mol + -analytic 12.69272E+0 00E+0 -41.51059E+2 00E+0 00E+0 + -Vm 219.8 + +Mn(cr) +Mn = Mn+2 + 2 e- + log_k 39.99 + delta_h -220.8 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 82WAG/EVA in 05OLI/NOL + -analytic 13.075E-1 00E+0 11.53319E+3 00E+0 00E+0 Mn(H2SiO4)(s) -Mn(H2SiO4) = 1.000Mn+2 - 2.000H+ + 1.000H4(SiO4) - log_k 12.440 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.244E+1 0E+0 0E+0 0E+0 0E+0 +Mn(H2SiO4) = Mn+2 - 2 H+ + H4(SiO4) + log_k 12.44 #88CHA/NEW + -analytic 12.44E+0 00E+0 00E+0 00E+0 00E+0 Mn(HPO4)(s) -Mn(HPO4) = 1.000Mn+2 - 1.000H+ + 1.000H2(PO4)- - log_k -5.740 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.74E+0 0E+0 0E+0 0E+0 0E+0 - -Mn(SO4)(s) -Mn(SO4) = 1.000Mn+2 + 1.000SO4-2 - log_k -2.680 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.68E+0 0E+0 0E+0 0E+0 0E+0 +Mn(HPO4) = Mn+2 - H+ + H2(PO4)- + log_k -5.74 #96FAL/REA + -analytic -57.4E-1 00E+0 00E+0 00E+0 00E+0 Mn(SeO3):2H2O(cr) -Mn(SeO3):2H2O = 1.000Mn+2 + 1.000SeO3-2 + 2.000H2O - log_k -7.600 #05OLI/NOL - delta_h -18.920 #kJ/mol - # Enthalpy of formation: -1280.7 #kJ/mol #05OLI/NOL - -analytic -1.09146E+1 0E+0 9.88259E+2 0E+0 0E+0 - -#Mn(cr) -#Mn = 1.000Mn+2 + 1.000H2O - 2.000H+ - 0.500O2 - # log_k - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #82WAG/EVA in 05OLI/NOL - # -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 +Mn(SeO3):2H2O = Mn+2 + SeO3-2 + 2 H2O + log_k -7.6 #05OLI/NOL + delta_h -18.92 #kJ/mol +# Enthalpy of formation: -1280.700 kJ/mol 05OLI/NOL + -analytic -10.91464E+0 00E+0 98.82604E+1 00E+0 00E+0 + +Mn(SO4)(s) +Mn(SO4) = Mn+2 + SO4-2 + log_k -2.68 #96FAL/REA + -analytic -26.8E-1 00E+0 00E+0 00E+0 00E+0 Mn2(Pyrophos)(s) -Mn2(Pyrophos) = 2.000Mn+2 + 1.000Pyrophos-4 - log_k -19.500 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.95E+1 0E+0 0E+0 0E+0 0E+0 +Mn2(Pyrophos) = 2 Mn+2 + Pyrophos-4 + log_k -19.5 #88CHA/NEW + -analytic -19.5E+0 00E+0 00E+0 00E+0 00E+0 Mn3(PO4)2(s) -Mn3(PO4)2 = 3.000Mn+2 - 4.000H+ + 2.000H2(PO4)- - log_k 15.320 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.532E+1 0E+0 0E+0 0E+0 0E+0 +Mn3(PO4)2 = 3 Mn+2 - 4 H+ + 2 H2(PO4)- + log_k 15.32 #96FAL/REA + -analytic 15.32E+0 00E+0 00E+0 00E+0 00E+0 Mn3(PO4)2:3H2O(s) -Mn3(PO4)2:3H2O = 3.000Mn+2 - 4.000H+ + 2.000H2(PO4)- + 3.000H2O - log_k 2.320 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.32E+0 0E+0 0E+0 0E+0 0E+0 +Mn3(PO4)2:3H2O = 3 Mn+2 - 4 H+ + 2 H2(PO4)- + 3 H2O + log_k 2.32 #96FAL/REA + -analytic 23.2E-1 00E+0 00E+0 00E+0 00E+0 MnCl2:2H2O(s) -MnCl2:2H2O = 1.000Mn+2 + 2.000Cl- + 2.000H2O - log_k 3.980 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.98E+0 0E+0 0E+0 0E+0 0E+0 +MnCl2:2H2O = Mn+2 + 2 Cl- + 2 H2O + log_k 3.98 #96FAL/REA + -analytic 39.8E-1 00E+0 00E+0 00E+0 00E+0 MnCl2:4H2O(s) -MnCl2:4H2O = 1.000Mn+2 + 2.000Cl- + 4.000H2O - log_k 2.710 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.71E+0 0E+0 0E+0 0E+0 0E+0 +MnCl2:4H2O = Mn+2 + 2 Cl- + 4 H2O + log_k 2.71 #96FAL/REA + -analytic 27.1E-1 00E+0 00E+0 00E+0 00E+0 MnCl2:H2O(s) -MnCl2:H2O = 1.000Mn+2 + 2.000Cl- + 1.000H2O - log_k 5.530 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.53E+0 0E+0 0E+0 0E+0 0E+0 +MnCl2:H2O = Mn+2 + 2 Cl- + H2O + log_k 5.53 #96FAL/REA + -analytic 55.3E-1 00E+0 00E+0 00E+0 00E+0 MnO(s) -MnO = 1.000Mn+2 - 2.000H+ + 1.000H2O - log_k 17.900 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.79E+1 0E+0 0E+0 0E+0 0E+0 +MnO = Mn+2 - 2 H+ + H2O + log_k 17.9 #96FAL/REA + -analytic 17.9E+0 00E+0 00E+0 00E+0 00E+0 MnO2(s) -MnO2 = 1.000Mn+2 - 2.000H+ + 1.000H2O + 0.500O2 - log_k -0.990 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -9.9E-1 0E+0 0E+0 0E+0 0E+0 +MnO2 = Mn+2 - 4 H+ - 2 e- + 2 H2O + log_k 42 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 + -analytic 42E+0 00E+0 00E+0 00E+0 00E+0 MnSe(alfa) -MnSe = 1.000Mn+2 - 1.000H+ + 1.000HSe- - log_k 0.300 - delta_h -28.579 #kJ/mol - # Enthalpy of formation: -177.921 #kJ/mol - -analytic -4.70682E+0 0E+0 1.49278E+3 0E+0 0E+0 +MnSe = Mn+2 - H+ + HSe- + log_k 0.33 + delta_h -28.579 #kJ/mol +# Enthalpy of formation: -177.921 kJ/mol + -analytic -46.76826E-1 00E+0 14.92785E+2 00E+0 00E+0 MnSe2(cr) -MnSe2 = 1.000Mn+2 + 2.000HSe- - 1.000H2O + 0.500O2 - log_k -51.140 - delta_h 268.063 #kJ/mol - # Enthalpy of formation: -180.5 #kJ/mol #05OLI/NOL - -analytic -4.17745E+0 0E+0 -1.40019E+4 0E+0 0E+0 - -Mo(s) -Mo = 2.000H+ + 1.000MoO4-2 - 1.000H2O - 1.500O2 - log_k 109.390 - delta_h -692.969 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #82WAG/EVA - -analytic -1.20128E+1 0E+0 3.61962E+4 0E+0 0E+0 +MnSe2 = Mn+2 - 2 H+ - 2 e- + 2 HSe- + log_k -8.12 + delta_h -11.7 #kJ/mol +# Enthalpy of formation: -180.500 kJ/mol 05OLI/NOL + -analytic -10.16975E+0 00E+0 61.11336E+1 00E+0 00E+0 + +Mo(cr) +Mo = 8 H+ + 6 e- + MoO4-2 - 4 H2O + log_k -19.58 + delta_h 146.32 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 82WAG/EVA + -analytic 60.54164E-1 00E+0 -76.42826E+2 00E+0 00E+0 Mo3O8(s) -Mo3O8 = 6.000H+ + 3.000MoO4-2 - 3.000H2O - 0.500O2 - log_k -20.570 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.057E+1 0E+0 0E+0 0E+0 0E+0 - -MoO2(s) -MoO2 = 2.000H+ + 1.000MoO4-2 - 1.000H2O - 0.500O2 - log_k 13.110 - delta_h -117.246 #kJ/mol - # Enthalpy of formation: -587.857 #kJ/mol - -analytic -7.43059E+0 0E+0 6.12418E+3 0E+0 0E+0 - -MoO3(s) -MoO3 = 2.000H+ + 1.000MoO4-2 - 1.000H2O - log_k -11.980 - delta_h 34.001 #kJ/mol - # Enthalpy of formation: -745.171 #kJ/mol - -analytic -6.02329E+0 0E+0 -1.77599E+3 0E+0 0E+0 - -MoS2(s) -MoS2 = 4.000H+ + 2.000HS- + 1.000MoO4-2 - 3.000H2O - 0.500O2 - log_k -26.920 - delta_h 105.752 #kJ/mol - # Enthalpy of formation: -271.795 #kJ/mol - -analytic -8.39307E+0 0E+0 -5.5238E+3 0E+0 0E+0 - -MoS3(s) -MoS3 = 5.000H+ + 3.000HS- + 1.000MoO4-2 - 4.000H2O - log_k -68.070 - delta_h 354.849 #kJ/mol - # Enthalpy of formation: -257.429 #kJ/mol - -analytic -5.90321E+0 0E+0 -1.8535E+4 0E+0 0E+0 +Mo3O8 = 8 H+ + 2 e- + 3 MoO4-2 - 4 H2O + log_k -63.56 + -analytic -63.56E+0 00E+0 00E+0 00E+0 00E+0 Monocarboaluminate -(CaO)3Al2O3:CaCO3:10.68H2O = 4.000Ca+2 + 2.000Al+3 - 12.000H+ + 1.000CO3-2 + 16.680H2O - log_k 70.300 #95DAM/GLA - delta_h -515.924 #kJ/mol - # Enthalpy of formation: -8175.75 #kJ/mol #10BLA/BOU2 - -analytic -2.00859E+1 0E+0 2.69485E+4 0E+0 0E+0 +(CaO)3Al2O3:CaCO3:10.68H2O = 4 Ca+2 + 2 Al+3 - 12 H+ + CO3-2 + 16.68 H2O + log_k 70.3 #95DAM/GLA + delta_h -515.924 #kJ/mol +# Enthalpy of formation: -8175.750 kJ/mol 10BLA/BOU2 + -analytic -20.086E+0 00E+0 26.94859E+3 00E+0 00E+0 + -Vm 261.96 Monosulfate-Fe -Ca4Fe2(SO4)(OH)12:6H2O = 4.000Ca+2 + 2.000Fe+3 - 12.000H+ + 1.000SO4-2 + 18.000H2O - log_k 66.050 #10BLA/BOU2 - delta_h -477.312 #kJ/mol - # Enthalpy of formation: -7846.968 #kJ/mol - -analytic -1.75714E+1 0E+0 2.49317E+4 0E+0 0E+0 +Ca4Fe2(SO4)(OH)12:6H2O = 4 Ca+2 + 2 Fe+3 - 12 H+ + SO4-2 + 18 H2O + log_k 66.05 #10BLA/BOU2 + delta_h -479.966 #kJ/mol +# Enthalpy of formation: -7846.419 kJ/mol + -analytic -18.03643E+0 00E+0 25.07037E+3 00E+0 00E+0 + -Vm 316.06 Monosulfoaluminate -Ca4Al2(SO4)(OH)12:6H2O = 4.000Ca+2 + 2.000Al+3 - 12.000H+ + 1.000SO4-2 + 18.000H2O - log_k 73.070 #10BLA/BOU2 - delta_h -539.400 #kJ/mol - # Enthalpy of formation: -8763.68 #kJ/mol #10BLA/BOU2 - -analytic -2.14287E+1 0E+0 2.81748E+4 0E+0 0E+0 +Ca4Al2(SO4)(OH)12:6H2O = 4 Ca+2 + 2 Al+3 - 12 H+ + SO4-2 + 18 H2O + log_k 73.07 #10BLA/BOU2 + delta_h -539.4 #kJ/mol +# Enthalpy of formation: -8763.680 kJ/mol 10BLA/BOU2 + -analytic -21.42882E+0 00E+0 28.17482E+3 00E+0 00E+0 + -Vm 311.26 Montmorillonite-BCCa -Ca0.17Mg0.34Al1.66Si4O10(OH)2 = 0.170Ca+2 + 0.340Mg+2 + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O - log_k 4.200 - delta_h -156.000 #kJ/mol - # Enthalpy of formation: -5690.29 #kJ/mol #15BLA/VIE - -analytic -2.313E+1 0E+0 8.14844E+3 0E+0 0E+0 +Ca0.17Mg0.34Al1.66Si4O10(OH)2 = 0.17 Ca+2 + 0.34 Mg+2 + 1.66 Al+3 - 6 H+ + 4 H4(SiO4) - 4 H2O + log_k 4.2 + delta_h -156 #kJ/mol +# Enthalpy of formation: -5690.290 kJ/mol 15BLA/VIE + -analytic -23.13003E+0 00E+0 81.48448E+2 00E+0 00E+0 + -Vm 135.58 Montmorillonite-BCK -K0.34Mg0.34Al1.66Si4O10(OH)2 = 0.340Mg+2 + 0.340K+ + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O - log_k 2.810 - delta_h -136.198 #kJ/mol - # Enthalpy of formation: -5703.51 #kJ/mol #15BLA/VIE - -analytic -2.10508E+1 0E+0 7.11411E+3 0E+0 0E+0 +K0.34Mg0.34Al1.66Si4O10(OH)2 = 0.34 Mg+2 + 0.34 K+ + 1.66 Al+3 - 6 H+ + 4 H4(SiO4) - 4 H2O + log_k 2.81 + delta_h -136.198 #kJ/mol +# Enthalpy of formation: -5703.510 kJ/mol 15BLA/VIE + -analytic -21.05087E+0 00E+0 71.14117E+2 00E+0 00E+0 + -Vm 134.69 Montmorillonite-BCMg -Mg0.17Mg0.34Al1.66Si4O10(OH)2 = 0.510Mg+2 + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O - log_k 3.690 - delta_h -157.360 #kJ/mol - # Enthalpy of formation: -5676.01 #kJ/mol #15BLA/VIE - -analytic -2.38782E+1 0E+0 8.21947E+3 0E+0 0E+0 +Mg0.17Mg0.34Al1.66Si4O10(OH)2 = 0.51 Mg+2 + 1.66 Al+3 - 6 H+ + 4 H4(SiO4) - 4 H2O + log_k 3.69 + delta_h -157.36 #kJ/mol +# Enthalpy of formation: -5676.010 kJ/mol 15BLA/VIE + -analytic -23.87829E+0 00E+0 82.19485E+2 00E+0 00E+0 + -Vm 131.58 Montmorillonite-BCNa -Na0.34Mg0.34Al1.66Si4O10(OH)2 = 0.340Mg+2 + 0.340Na+ + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O - log_k 3.390 - delta_h -145.286 #kJ/mol - # Enthalpy of formation: -5690.41 #kJ/mol #15BLA/VIE - -analytic -2.2063E+1 0E+0 7.58881E+3 0E+0 0E+0 +Na0.34Mg0.34Al1.66Si4O10(OH)2 = 0.34 Mg+2 + 0.34 Na+ + 1.66 Al+3 - 6 H+ + 4 H4(SiO4) - 4 H2O + log_k 3.39 + delta_h -145.286 #kJ/mol +# Enthalpy of formation: -5690.410 kJ/mol 15BLA/VIE + -analytic -22.06301E+0 00E+0 75.88816E+2 00E+0 00E+0 + -Vm 133.96 Montmorillonite-HCCa -Ca0.3Mg0.6Al1.4Si4O10(OH)2 = 0.300Ca+2 + 0.600Mg+2 + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O - log_k 6.890 - delta_h -163.896 #kJ/mol - # Enthalpy of formation: -5734.42 #kJ/mol #15BLA/VIE - -analytic -2.18233E+1 0E+0 8.56087E+3 0E+0 0E+0 +Ca0.3Mg0.6Al1.4Si4O10(OH)2 = 0.3 Ca+2 + 0.6 Mg+2 + 1.4 Al+3 - 6 H+ + 4 H4(SiO4) - 4 H2O + log_k 6.89 + delta_h -163.896 #kJ/mol +# Enthalpy of formation: -5734.420 kJ/mol 15BLA/VIE + -analytic -21.82335E+0 00E+0 85.60884E+2 00E+0 00E+0 + -Vm 140.32 Montmorillonite-HCK -K0.6Mg0.6Al1.4Si4O10(OH)2 = 0.600Mg+2 + 0.600K+ + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O - log_k 4.430 - delta_h -128.960 #kJ/mol - # Enthalpy of formation: -5757.74 #kJ/mol #15BLA/VIE - -analytic -1.81628E+1 0E+0 6.73604E+3 0E+0 0E+0 +K0.6Mg0.6Al1.4Si4O10(OH)2 = 0.6 Mg+2 + 0.6 K+ + 1.4 Al+3 - 6 H+ + 4 H4(SiO4) - 4 H2O + log_k 4.43 + delta_h -128.96 #kJ/mol +# Enthalpy of formation: -5757.740 kJ/mol 15BLA/VIE + -analytic -18.16282E+0 00E+0 67.3605E+2 00E+0 00E+0 + -Vm 138.75 Montmorillonite-HCMg -Mg0.3Mg0.6Al1.4Si4O10(OH)2 = 0.900Mg+2 + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O - log_k 5.980 - delta_h -166.296 #kJ/mol - # Enthalpy of formation: -5709.22 #kJ/mol #15BLA/VIE - -analytic -2.31538E+1 0E+0 8.68623E+3 0E+0 0E+0 +Mg0.3Mg0.6Al1.4Si4O10(OH)2 = 0.9 Mg+2 + 1.4 Al+3 - 6 H+ + 4 H4(SiO4) - 4 H2O + log_k 5.98 + delta_h -166.296 #kJ/mol +# Enthalpy of formation: -5709.220 kJ/mol 15BLA/VIE + -analytic -23.15381E+0 00E+0 86.86245E+2 00E+0 00E+0 + -Vm 133.27 Montmorillonite-HCNa -Na0.6Mg0.6Al1.4Si4O10(OH)2 = 0.600Mg+2 + 0.600Na+ + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O - log_k 5.450 - delta_h -144.990 #kJ/mol - # Enthalpy of formation: -5734.63 #kJ/mol #15BLA/VIE - -analytic -1.99511E+1 0E+0 7.57334E+3 0E+0 0E+0 +Na0.6Mg0.6Al1.4Si4O10(OH)2 = 0.6 Mg+2 + 0.6 Na+ + 1.4 Al+3 - 6 H+ + 4 H4(SiO4) - 4 H2O + log_k 5.45 + delta_h -144.99 #kJ/mol +# Enthalpy of formation: -5734.630 kJ/mol 15BLA/VIE + -analytic -19.95116E+0 00E+0 75.73355E+2 00E+0 00E+0 + -Vm 137.47 + +MoO2(s) +MoO2 = 4 H+ + 2 e- + MoO4-2 - 2 H2O + log_k -29.88 + delta_h 162.51 #kJ/mol +# Enthalpy of formation: -587.851 kJ/mol + -analytic -14.0947E-1 00E+0 -84.88488E+2 00E+0 00E+0 + +MoO3(s) +MoO3 = 2 H+ + MoO4-2 - H2O + log_k -11.98 + delta_h 34.001 #kJ/mol +# Enthalpy of formation: -745.171 kJ/mol + -analytic -60.2328E-1 00E+0 -17.75996E+2 00E+0 00E+0 Mordenite_Ca -Ca0.515Al1.03Si4.97O12:3.1H2O = 0.515Ca+2 + 1.030Al+3 - 4.120H+ + 4.970H4(SiO4) - 4.780H2O - log_k -2.920 #09BLA - delta_h -74.768 #kJ/mol - # Enthalpy of formation: -6655.295 #kJ/mol - -analytic -1.60188E+1 0E+0 3.9054E+3 0E+0 0E+0 +Ca0.515Al1.03Si4.97O12:3.1H2O = 0.515 Ca+2 + 1.03 Al+3 - 4.12 H+ + 4.97 H4(SiO4) - 4.78 H2O + log_k -2.92 #09BLA + delta_h -74.732 #kJ/mol +# Enthalpy of formation: -6655.334 kJ/mol + -analytic -16.01248E+0 00E+0 39.03524E+2 00E+0 00E+0 + -Vm 209.8 Mordenite_Oregon -Ca0.289Na0.362Al0.94Si5.06O12:3.468H2O = 0.289Ca+2 + 0.362Na+ + 0.940Al+3 - 3.760H+ + 5.060H4(SiO4) - 4.772H2O - log_k -4.160 - delta_h -41.247 #kJ/mol - # Enthalpy of formation: -6738.44 #kJ/mol #92JOH/TAS - -analytic -1.13862E+1 0E+0 2.15448E+3 0E+0 0E+0 +Ca0.289Na0.362Al0.94Si5.06O12:3.468H2O = 0.289 Ca+2 + 0.362 Na+ + 0.94 Al+3 - 3.76 H+ + 5.06 H4(SiO4) - 4.772 H2O + log_k -4.18 + delta_h -41.247 #kJ/mol +# Enthalpy of formation: -6738.440 kJ/mol 92JOH/TAS + -analytic -11.40616E+0 00E+0 21.54481E+2 00E+0 00E+0 + -Vm 212.4 -Muscovite -KAl3Si3O10(OH)2 = 1.000K+ + 3.000Al+3 - 10.000H+ + 3.000H4(SiO4) - log_k 13.040 - delta_h -276.122 #kJ/mol - # Enthalpy of formation: -5974.8 #kJ/mol #95HAS/CYG - -analytic -3.53344E+1 0E+0 1.44228E+4 0E+0 0E+0 +MoS2(s) +MoS2 = 6 H+ + 2 e- + 2 HS- + MoO4-2 - 4 H2O + log_k -69.91 + delta_h 385.522 #kJ/mol +# Enthalpy of formation: -271.804 kJ/mol + -analytic -23.69445E-1 00E+0 -20.13722E+3 00E+0 00E+0 -Na(NO3)(s) -Na(NO3) = 1.000Na+ + 1.000NO3- - log_k 1.090 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.09E+0 0E+0 0E+0 0E+0 0E+0 - -Na(TcO4):4H2O(s) -Na(TcO4):4H2O = 1.000Na+ + 1.000TcO4- + 4.000H2O - log_k 0.790 #99RAR/RAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7.9E-1 0E+0 0E+0 0E+0 0E+0 +MoS3(s) +MoS3 = 5 H+ + 3 HS- + MoO4-2 - 4 H2O + log_k -68.07 + delta_h 354.847 #kJ/mol +# Enthalpy of formation: -257.429 kJ/mol + -analytic -59.03474E-1 00E+0 -18.53495E+3 00E+0 00E+0 + +Muscovite +KAl3Si3O10(OH)2 = K+ + 3 Al+3 - 10 H+ + 3 H4(SiO4) + log_k 13.02 + delta_h -276.122 #kJ/mol +# Enthalpy of formation: -5974.800 kJ/mol 95HAS/CYG + -analytic -35.3545E+0 00E+0 14.42286E+3 00E+0 00E+0 + -Vm 140.81 Na(cr) -Na = 1.000Na+ + 0.500H2O - 1.000H+ - 0.250O2 - log_k 67.385 - delta_h -380.222 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #92GRE/FUG (89COX/WAG) - -analytic 7.7315E-1 0E+0 1.98603E+4 0E+0 0E+0 +Na = Na+ + e- + log_k 45.89 + delta_h -240.34 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 92GRE/FUG (89COX/WAG) + -analytic 37.84239E-1 00E+0 12.55383E+3 00E+0 00E+0 + +Na(NO3)(s) +Na(NO3) = Na+ + NO3- + log_k 1.09 #96FAL/REA + -analytic 10.9E-1 00E+0 00E+0 00E+0 00E+0 Na2(CO3)(cr) -Na2(CO3) = 2.000Na+ + 1.000CO3-2 - log_k 1.120 - delta_h -26.710 #kJ/mol - # Enthalpy of formation: -1129.2 #kJ/mol #95ROB/HEM - -analytic -3.55938E+0 0E+0 1.39516E+3 0E+0 0E+0 +Na2(CO3) = 2 Na+ + CO3-2 + log_k 1.12 + delta_h -26.71 #kJ/mol +# Enthalpy of formation: -1129.200 kJ/mol 95ROB/HEM + -analytic -35.59391E-1 00E+0 13.9516E+2 00E+0 00E+0 Na2B4O7(cr) -Na2B4O7 = 2.000Na+ + 2.000H+ + 4.000B(OH)4- - 9.000H2O - log_k -16.060 - delta_h 2.534 #kJ/mol - # Enthalpy of formation: -3291.208 #kJ/mol - -analytic -1.56161E+1 0E+0 -1.3236E+2 0E+0 0E+0 +Na2B4O7 = 2 Na+ + 2 H+ + 4 B(OH)4- - 9 H2O + log_k -16.06 + delta_h 2.52 #kJ/mol +# Enthalpy of formation: -3291.196 kJ/mol + -analytic -15.61851E+0 00E+0 -13.16288E+1 00E+0 00E+0 Na2B4O7:10H2O(s) -Na2B4O7:10H2O = 2.000Na+ + 2.000H+ + 4.000B(OH)4- + 1.000H2O - log_k -24.580 - delta_h 141.721 #kJ/mol - # Enthalpy of formation: -6288.445 #kJ/mol - -analytic 2.48417E-1 0E+0 -7.40259E+3 0E+0 0E+0 +Na2B4O7:10H2O = 2 Na+ + 2 H+ + 4 B(OH)4- + H2O + log_k -24.58 + delta_h 141.471 #kJ/mol +# Enthalpy of formation: -6288.445 kJ/mol + -analytic 20.46553E-2 00E+0 -73.89545E+2 00E+0 00E+0 Na2CO3:7H2O(s) -Na2CO3:7H2O = 2.000Na+ + 1.000CO3-2 + 7.000H2O - log_k -0.460 #84HAR/MOL - delta_h 42.682 #kJ/mol - # Enthalpy of formation: -3199.402 #kJ/mol - -analytic 7.01755E+0 0E+0 -2.22943E+3 0E+0 0E+0 +Na2CO3:7H2O = 2 Na+ + CO3-2 + 7 H2O + log_k -0.46 #84HAR/MOL + delta_h 42.682 #kJ/mol +# Enthalpy of formation: -3199.400 kJ/mol + -analytic 70.17565E-1 00E+0 -22.29436E+2 00E+0 00E+0 Na2HPO4(cr) -Na2HPO4 = 2.000Na+ - 1.000H+ + 1.000H2(PO4)- - log_k 9.240 - delta_h -35.180 #kJ/mol - # Enthalpy of formation: -1748.1 #kJ/mol #82WAG/EVA - -analytic 3.07674E+0 0E+0 1.83758E+3 0E+0 0E+0 +Na2HPO4 = 2 Na+ - H+ + H2(PO4)- + log_k 9.24 + delta_h -35.18 #kJ/mol +# Enthalpy of formation: -1748.100 kJ/mol 82WAG/EVA + -analytic 30.76729E-1 00E+0 18.37579E+2 00E+0 00E+0 + +Na2Np2O7(cr) +Na2Np2O7 = 2 Na+ + 2 NpO2+2 - 6 H+ + 3 H2O + log_k 25.2 #20GRE/GAO + -analytic 25.2E+0 00E+0 00E+0 00E+0 00E+0 Na2O(cr) -Na2O = 2.000Na+ - 2.000H+ + 1.000H2O - log_k 67.460 - delta_h -351.710 #kJ/mol - # Enthalpy of formation: -414.8 #kJ/mol #95ROB/HEM - -analytic 5.84314E+0 0E+0 1.83711E+4 0E+0 0E+0 +Na2O = 2 Na+ - 2 H+ + H2O + log_k 67.46 + delta_h -351.71 #kJ/mol +# Enthalpy of formation: -414.800 kJ/mol 95ROB/HEM + -analytic 58.43053E-1 00E+0 18.37109E+3 00E+0 00E+0 + +Na2U2O7:H2O(cr) +Na2U2O7:H2O = 2 Na+ + 2 UO2+2 - 6 H+ + 4 H2O + log_k 24.4 #20GRE/GAO + -analytic 24.4E+0 00E+0 00E+0 00E+0 00E+0 Na2ZrSi2O7(cr) -Na2ZrSi2O7 = 2.000Na+ - 6.000H+ + 2.000H4(SiO4) + 1.000Zr+4 - 1.000H2O - log_k 3.740 - delta_h -119.738 #kJ/mol - # Enthalpy of formation: -3606 #kJ/mol #05BRO/CUR - -analytic -1.72372E+1 0E+0 6.25434E+3 0E+0 0E+0 +Na2ZrSi2O7 = 2 Na+ - 6 H+ + 2 H4(SiO4) + Zr+4 - H2O + log_k 3.74 + delta_h -119.738 #kJ/mol +# Enthalpy of formation: -3606.000 kJ/mol 05BRO/CUR + -analytic -17.2372E+0 00E+0 62.54351E+2 00E+0 00E+0 Na2ZrSi3O9:2H2O(cr) -Na2ZrSi3O9:2H2O = 2.000Na+ - 6.000H+ + 3.000H4(SiO4) + 1.000Zr+4 - 1.000H2O - log_k 15.580 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.558E+1 0E+0 0E+0 0E+0 0E+0 +Na2ZrSi3O9:2H2O = 2 Na+ - 6 H+ + 3 H4(SiO4) + Zr+4 - H2O + log_k 15.58 + -analytic 15.58E+0 00E+0 00E+0 00E+0 00E+0 Na2ZrSi4O11(cr) -Na2ZrSi4O11 = 2.000Na+ - 6.000H+ + 4.000H4(SiO4) + 1.000Zr+4 - 5.000H2O - log_k -13.560 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.356E+1 0E+0 0E+0 0E+0 0E+0 +Na2ZrSi4O11 = 2 Na+ - 6 H+ + 4 H4(SiO4) + Zr+4 - 5 H2O + log_k -13.56 + -analytic -13.56E+0 00E+0 00E+0 00E+0 00E+0 Na2ZrSi6O15:3H2O(cr) -Na2ZrSi6O15:3H2O = 2.000Na+ - 6.000H+ + 6.000H4(SiO4) + 1.000Zr+4 - 6.000H2O - log_k 16.460 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.646E+1 0E+0 0E+0 0E+0 0E+0 +Na2ZrSi6O15:3H2O = 2 Na+ - 6 H+ + 6 H4(SiO4) + Zr+4 - 6 H2O + log_k 16.46 + -analytic 16.46E+0 00E+0 00E+0 00E+0 00E+0 Na2ZrSiO5(cr) -Na2ZrSiO5 = 2.000Na+ - 6.000H+ + 1.000H4(SiO4) + 1.000Zr+4 + 1.000H2O - log_k 13.190 - delta_h -166.204 #kJ/mol - # Enthalpy of formation: -2670 #kJ/mol #05BRO/CUR - -analytic -1.59276E+1 0E+0 8.68143E+3 0E+0 0E+0 +Na2ZrSiO5 = 2 Na+ - 6 H+ + H4(SiO4) + Zr+4 + H2O + log_k 13.19 + delta_h -166.204 #kJ/mol +# Enthalpy of formation: -2670.000 kJ/mol 05BRO/CUR + -analytic -15.92769E+0 00E+0 86.8144E+2 00E+0 00E+0 + +Na3NpO2(CO3)2(cr) +Na3NpO2(CO3)2 = 3 Na+ + NpO2+ + 2 CO3-2 + log_k -14.22 #03GUI/FAN + -analytic -14.22E+0 00E+0 00E+0 00E+0 00E+0 Na3PO4(cr) -Na3PO4 = 3.000Na+ - 2.000H+ + 1.000H2(PO4)- - log_k 23.520 - delta_h -106.218 #kJ/mol - # Enthalpy of formation: -1917.402 #kJ/mol #74NAU/RYZ - -analytic 4.91143E+0 0E+0 5.54814E+3 0E+0 0E+0 +Na3PO4 = 3 Na+ - 2 H+ + H2(PO4)- + log_k 23.52 + delta_h -106.218 #kJ/mol +# Enthalpy of formation: -1917.402 kJ/mol 74NAU/RYZ + -analytic 49.11405E-1 00E+0 55.48153E+2 00E+0 00E+0 Na4Zr2Si3O12(cr) -Na4Zr2Si3O12 = 4.000Na+ - 12.000H+ + 3.000H4(SiO4) + 2.000Zr+4 - log_k 15.510 - delta_h -276.942 #kJ/mol - # Enthalpy of formation: -6285 #kJ/mol #05BRO/CUR - -analytic -3.30081E+1 0E+0 1.44657E+4 0E+0 0E+0 +Na4Zr2Si3O12 = 4 Na+ - 12 H+ + 3 H4(SiO4) + 2 Zr+4 + log_k 15.5 + delta_h -276.942 #kJ/mol +# Enthalpy of formation: -6285.000 kJ/mol 05BRO/CUR + -analytic -33.01816E+0 00E+0 14.46569E+3 00E+0 00E+0 Na6Th(CO3)5:12H2O(cr) -Na6Th(CO3)5:12H2O = 6.000Na+ + 1.000Th+4 + 5.000CO3-2 + 12.000H2O - log_k -42.200 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.22E+1 0E+0 0E+0 0E+0 0E+0 +Na6Th(CO3)5:12H2O = 6 Na+ + Th+4 + 5 CO3-2 + 12 H2O + log_k -42.2 #09RAN/FUG + -analytic -42.2E+0 00E+0 00E+0 00E+0 00E+0 + +NaAm(CO3)2:5H2O(s) +NaAm(CO3)2:5H2O = Na+ + Am+3 + 2 CO3-2 + 5 H2O + log_k -21 #03GUI/FAN + -analytic -21E+0 00E+0 00E+0 00E+0 00E+0 NaAmO2CO3(s) -NaAmO2CO3 = 1.000Na+ + 1.000AmO2+ + 1.000CO3-2 - log_k -10.900 #94GIF, 94RUN/KIM, 96RUN/NEU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.09E+1 0E+0 0E+0 0E+0 0E+0 +NaAmO2CO3 = Na+ + AmO2+ + CO3-2 + log_k -10.9 #94GIF, 94RUN/KIM, 96RUN/NEU + -analytic -10.9E+0 00E+0 00E+0 00E+0 00E+0 NaBO2(s) -NaBO2 = 1.000Na+ + 1.000B(OH)4- - 2.000H2O - log_k 3.620 - delta_h -36.790 #kJ/mol - # Enthalpy of formation: -977.006 #kJ/mol - -analytic -2.82532E+0 0E+0 1.92167E+3 0E+0 0E+0 +NaBO2 = Na+ + B(OH)4- - 2 H2O + log_k 3.62 + delta_h -36.793 #kJ/mol +# Enthalpy of formation: -977.003 kJ/mol + -analytic -28.25857E-1 00E+0 19.21832E+2 00E+0 00E+0 + +Na-Boltwoodite +Na(UO2)(SiO3OH):H2O = Na+ + UO2+2 - 3 H+ + H4(SiO4) + H2O + log_k 5.81 #20GRE/GAO + -analytic 58.1E-1 00E+0 00E+0 00E+0 00E+0 NaCm(CO3)2:5H2O(s) -NaCm(CO3)2:5H2O = 1.000Na+ + 2.000CO3-2 + 1.000Cm+3 + 5.000H2O - log_k -21.000 #estimated by correlation with Ln(III) and An(III) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.1E+1 0E+0 0E+0 0E+0 0E+0 +NaCm(CO3)2:5H2O = Na+ + 2 CO3-2 + Cm+3 + 5 H2O + log_k -20.94 #Estimated by correlation with An(III). + -analytic -20.94E+0 00E+0 00E+0 00E+0 00E+0 NaEu(CO3)2:5H2O(s) -NaEu(CO3)2:5H2O = 1.000Na+ + 1.000Eu+3 + 2.000CO3-2 + 5.000H2O - log_k -20.900 #05VER/VIT2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.09E+1 0E+0 0E+0 0E+0 0E+0 +NaEu(CO3)2:5H2O = Na+ + Eu+3 + 2 CO3-2 + 5 H2O + log_k -20.6 #10PHI + -analytic -20.6E+0 00E+0 00E+0 00E+0 00E+0 NaF(s) -NaF = 1.000Na+ + 1.000F- - log_k -0.480 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.8E-1 0E+0 0E+0 0E+0 0E+0 +NaF = Na+ + F- + log_k -0.48 #96FAL/REA + -analytic -48E-2 00E+0 00E+0 00E+0 00E+0 NaH2PO4(cr) -NaH2PO4 = 1.000Na+ + 1.000H2(PO4)- - log_k 2.300 - delta_h -6.140 #kJ/mol - # Enthalpy of formation: -1536.8 #kJ/mol #82WAG/EVA - -analytic 1.22432E+0 0E+0 3.20714E+2 0E+0 0E+0 +NaH2PO4 = Na+ + H2(PO4)- + log_k 2.3 + delta_h -6.14 #kJ/mol +# Enthalpy of formation: -1536.800 kJ/mol 82WAG/EVA + -analytic 12.24318E-1 00E+0 32.07145E+1 00E+0 00E+0 + +Nahcolite +Na(HCO3) = Na+ + H+ + CO3-2 + log_k -10.74 #84HAR/MOL + delta_h 33.43 #kJ/mol +# Enthalpy of formation: -949.000 kJ/mol 82VAN + -analytic -48.83315E-1 00E+0 -17.46171E+2 00E+0 00E+0 NaHo(CO3)2:5H2O(s) -NaHo(CO3)2:5H2O = 1.000Na+ + 1.000Ho+3 + 2.000CO3-2 + 5.000H2O - log_k -20.500 #Estimated by ionic radii correlation - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.05E+1 0E+0 0E+0 0E+0 0E+0 +NaHo(CO3)2:5H2O = Na+ + Ho+3 + 2 CO3-2 + 5 H2O + log_k -19.97 #Estimated by correlation with An(III). + -analytic -19.97E+0 00E+0 00E+0 00E+0 00E+0 NaNbO3(s) -NaNbO3 = 1.000Na+ + 1.000Nb(OH)6- - 3.000H2O - log_k -3.660 - delta_h 7.504 #kJ/mol - # Enthalpy of formation: -1316.013 #kJ/mol - -analytic -2.34536E+0 0E+0 -3.91961E+2 0E+0 0E+0 +NaNbO3 = Na+ + Nb(OH)6- - 3 H2O + log_k -3.66 + delta_h 7.504 #kJ/mol +# Enthalpy of formation: -1316.013 kJ/mol + -analytic -23.45356E-1 00E+0 -39.19612E+1 00E+0 00E+0 + +NaNpO2CO3:3.5H2O(cr) +NaNpO2CO3:3.5H2O = Na+ + NpO2+ + CO3-2 + 3.5 H2O + log_k -11 #03GUI/FAN + delta_h 30.997 #kJ/mol +# Enthalpy of formation: -2925.152 kJ/mol + -analytic -55.69559E-1 00E+0 -16.19086E+2 00E+0 00E+0 NaSm(CO3)2:5H2O(s) -NaSm(CO3)2:5H2O = 1.000Na+ + 1.000Sm+3 + 2.000CO3-2 + 5.000H2O - log_k -20.990 #Estimated by ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.099E+1 0E+0 0E+0 0E+0 0E+0 +NaSm(CO3)2:5H2O = Na+ + Sm+3 + 2 CO3-2 + 5 H2O + log_k -20.99 #Estimated by correlation with An(III). + -analytic -20.99E+0 00E+0 00E+0 00E+0 00E+0 -Nahcolite -Na(HCO3) = 1.000Na+ + 1.000H+ + 1.000CO3-2 - log_k -10.740 #84HAR/MOL - delta_h 33.430 #kJ/mol - # Enthalpy of formation: -949 #kJ/mol #82VAN - -analytic -4.88332E+0 0E+0 -1.74617E+3 0E+0 0E+0 +NaTcO4:4H2O(s) +NaTcO4:4H2O = Na+ + TcO4- + 4 H2O + log_k 0.79 #99RAR/RAN + -analytic 79E-2 00E+0 00E+0 00E+0 00E+0 Natrolite -Na2(Al2Si3)O10:2H2O = 2.000Na+ + 2.000Al+3 - 8.000H+ + 3.000H4(SiO4) - log_k 19.330 - delta_h -222.462 #kJ/mol - # Enthalpy of formation: -5718.6 #kJ/mol #83JOH/FLO - -analytic -1.96436E+1 0E+0 1.162E+4 0E+0 0E+0 +Na2(Al2Si3)O10:2H2O = 2 Na+ + 2 Al+3 - 8 H+ + 3 H4(SiO4) + log_k 19.31 + delta_h -222.462 #kJ/mol +# Enthalpy of formation: -5718.600 kJ/mol 83JOH/FLO + -analytic -19.66367E+0 00E+0 11.62E+3 00E+0 00E+0 + -Vm 169.2 Natron -Na2(CO3):10H2O = 2.000Na+ + 1.000CO3-2 + 10.000H2O - log_k -0.830 #84HAR/MOL - delta_h 64.870 #kJ/mol - # Enthalpy of formation: -4079 #kJ/mol - -analytic 1.05347E+1 0E+0 -3.38839E+3 0E+0 0E+0 +Na2(CO3):10H2O = 2 Na+ + CO3-2 + 10 H2O + log_k -0.83 #84HAR/MOL + delta_h 64.87 #kJ/mol +# Enthalpy of formation: -4079.078 kJ/mol + -analytic 10.53474E+0 00E+0 -33.88396E+2 00E+0 00E+0 Nb(cr) -Nb = 1.000H+ + 1.000Nb(OH)6- - 3.500H2O - 1.250O2 - log_k 149.295 - delta_h -910.093 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #82WAG/EVA - -analytic -1.01461E+1 0E+0 4.75374E+4 0E+0 0E+0 +Nb = 6 H+ + Nb(OH)6- + 5 e- - 6 H2O + log_k 41.82 + delta_h -210.678 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 82WAG/EVA + -analytic 49.10799E-1 00E+0 11.00448E+3 00E+0 00E+0 Nb2O5(s) -Nb2O5 = 2.000H+ + 2.000Nb(OH)6- - 7.000H2O - log_k -28.380 #97PEI/NGU - delta_h 52.400 #kJ/mol #97PEI/NGU - # Enthalpy of formation: -1902.92 #kJ/mol - -analytic -1.91999E+1 0E+0 -2.73704E+3 0E+0 0E+0 +Nb2O5 = 2 H+ + 2 Nb(OH)6- - 7 H2O + log_k -28.38 #97PEI/NGU + delta_h 52.4 #kJ/mol 97PEI/NGU +# Enthalpy of formation: -1902.906 kJ/mol + -analytic -19.19991E+0 00E+0 -27.37043E+2 00E+0 00E+0 Nesquehonite -Mg(CO3):3H2O = 1.000Mg+2 + 1.000CO3-2 + 3.000H2O - log_k -5.100 - delta_h -22.420 #kJ/mol - # Enthalpy of formation: -1977.3 #kJ/mol #73ROB/HEM - -analytic -9.02781E+0 0E+0 1.17108E+3 0E+0 0E+0 +Mg(CO3):3H2O = Mg+2 + CO3-2 + 3 H2O + log_k -5.1 + delta_h -22.42 #kJ/mol +# Enthalpy of formation: -1977.300 kJ/mol 73ROB/HEM + -analytic -90.27815E-1 00E+0 11.71078E+2 00E+0 00E+0 Ni(BO2)2(s) -Ni(BO2)2 = 1.000Ni+2 + 2.000B(OH)4- - 4.000H2O - log_k -8.700 #92PEA/BER - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -8.7E+0 0E+0 0E+0 0E+0 0E+0 - -#Ni(CO3)(cr) -#Ni(CO3) = 1.000Ni+2 + 1.000CO3-2 - # log_k - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: -713.32 #kJ/mol #05GAM/BUG - # -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 +Ni(BO2)2 = Ni+2 + 2 B(OH)4- - 4 H2O + log_k -8.7 #92PEA/BER + -analytic -87E-1 00E+0 00E+0 00E+0 00E+0 + +Ni(CO3)(cr) +Ni(CO3) = Ni+2 + CO3-2 + log_k -10.99 + delta_h -16.922 #kJ/mol +# Enthalpy of formation: -713.320 kJ/mol + -analytic -13.95461E+0 00E+0 88.38976E+1 00E+0 00E+0 Ni(CO3):5.5H2O(cr) -Ni(CO3):5.5H2O = 1.000Ni+2 + 1.000CO3-2 + 5.500H2O - log_k -7.520 - delta_h 10.685 #kJ/mol - # Enthalpy of formation: -2312.992 #kJ/mol #05GAM/BUG - -analytic -5.64807E+0 0E+0 -5.58116E+2 0E+0 0E+0 +Ni(CO3):5.5H2O = Ni+2 + CO3-2 + 5.5 H2O + log_k -7.52 + delta_h 10.687 #kJ/mol +# Enthalpy of formation: -2312.992 kJ/mol + -analytic -56.47718E-1 00E+0 -55.82209E+1 00E+0 00E+0 + +Ni(cr) +Ni = Ni+2 + 2 e- + log_k 8.02 + delta_h -55.012 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 05GAM/BUG + -analytic -16.17689E-1 00E+0 28.73477E+2 00E+0 00E+0 Ni(IO3)2(beta) -Ni(IO3)2 = 1.000Ni+2 + 2.000IO3- - log_k -4.430 - delta_h -7.300 #kJ/mol #05GAM/BUG - # Enthalpy of formation: -487.112 #kJ/mol - -analytic -5.7089E+0 0E+0 3.81305E+2 0E+0 0E+0 +Ni(IO3)2 = Ni+2 + 2 IO3- + log_k -4.43 + delta_h -7.3 #kJ/mol 05GAM/BUG +# Enthalpy of formation: -487.112 kJ/mol + -analytic -57.08905E-1 00E+0 38.13056E+1 00E+0 00E+0 Ni(IO3)2:2H2O(cr) -Ni(IO3)2:2H2O = 1.000Ni+2 + 2.000IO3- + 2.000H2O - log_k -5.140 - delta_h 21.600 #kJ/mol #05GAM/BUG - # Enthalpy of formation: -1087.672 #kJ/mol - -analytic -1.35585E+0 0E+0 -1.12824E+3 0E+0 0E+0 +Ni(IO3)2:2H2O = Ni+2 + 2 IO3- + 2 H2O + log_k -5.14 + delta_h 21.6 #kJ/mol 05GAM/BUG +# Enthalpy of formation: -1087.672 kJ/mol + -analytic -13.55842E-1 00E+0 -11.28247E+2 00E+0 00E+0 Ni(OH)2(s) -Ni(OH)2 = 1.000Ni+2 - 2.000H+ + 2.000H2O - log_k 11.030 - delta_h -84.390 #kJ/mol - # Enthalpy of formation: -542.3 #kJ/mol #05GAM/BUG - -analytic -3.75447E+0 0E+0 4.40799E+3 0E+0 0E+0 +Ni(OH)2 = Ni+2 - 2 H+ + 2 H2O + log_k 11.03 + delta_h -84.389 #kJ/mol +# Enthalpy of formation: -542.282 kJ/mol + -analytic -37.54318E-1 00E+0 44.07944E+2 00E+0 00E+0 + +Ni(SeO3):2H2O(cr) +Ni(SeO3):2H2O = Ni+2 + SeO3-2 + 2 H2O + log_k -5.8 #05OLI/NOL + delta_h -24.502 #kJ/mol +# Enthalpy of formation: -1109.330 kJ/mol 05OLI/NOL + -analytic -10.09257E+0 00E+0 12.79829E+2 00E+0 00E+0 + +Ni(SeO4):6H2O(s) +Ni(SeO4):6H2O = Ni+2 + SeO4-2 + 6 H2O + log_k -1.38 #05OLI/NOL + delta_h -3.791 #kJ/mol +# Enthalpy of formation: -2369.699 kJ/mol + -analytic -20.44155E-1 00E+0 19.80177E+1 00E+0 00E+0 + +Ni(SiO3)(s) +Ni(SiO3) = Ni+2 - 2 H+ + H4(SiO4) - H2O + log_k -1.78 + -analytic -17.8E-1 00E+0 00E+0 00E+0 00E+0 Ni(SO4)(cr) -Ni(SO4) = 1.000Ni+2 + 1.000SO4-2 - log_k 4.750 #05GAM/BUG - delta_h -91.072 #kJ/mol - # Enthalpy of formation: -873.28 #kJ/mol #05GAM/BUG - -analytic -1.12051E+1 0E+0 4.75701E+3 0E+0 0E+0 +Ni(SO4) = Ni+2 + SO4-2 + log_k 4.75 + delta_h -91.072 #kJ/mol +# Enthalpy of formation: -873.280 kJ/mol 05GAM/BUG + -analytic -11.20513E+0 00E+0 47.57022E+2 00E+0 00E+0 Ni(SO4):6H2O(s) -Ni(SO4):6H2O = 1.000Ni+2 + 1.000SO4-2 + 6.000H2O - log_k -2.250 #05GAM/BUG - delta_h 4.485 #kJ/mol #05GAM/BUG - # Enthalpy of formation: -2683.817 #kJ/mol - -analytic -1.46426E+0 0E+0 -2.34268E+2 0E+0 0E+0 +Ni(SO4):6H2O = Ni+2 + SO4-2 + 6 H2O + log_k -2.25 + delta_h 4.485 #kJ/mol +# Enthalpy of formation: -2683.817 kJ/mol 05GAM/BUG + -analytic -14.64262E-1 00E+0 -23.42679E+1 00E+0 00E+0 Ni(SO4):7H2O(s) -Ni(SO4):7H2O = 1.000Ni+2 + 1.000SO4-2 + 7.000H2O - log_k -2.270 #05GAM/BUG - delta_h 12.167 #kJ/mol #05GAM/BUG - # Enthalpy of formation: -2977.329 #kJ/mol - -analytic -1.38436E-1 0E+0 -6.35526E+2 0E+0 0E+0 - -Ni(SeO3):2H2O(cr) -Ni(SeO3):2H2O = 1.000Ni+2 + 1.000SeO3-2 + 2.000H2O - log_k -5.800 #05OLI/NOL - delta_h -24.502 #kJ/mol - # Enthalpy of formation: -1109.33 #kJ/mol #05OLI/NOL - -analytic -1.00926E+1 0E+0 1.27983E+3 0E+0 0E+0 - -Ni(SeO4):6H2O(s) -Ni(SeO4):6H2O = 1.000Ni+2 + 1.000SeO4-2 + 6.000H2O - log_k -1.381 #05OLI/NOL - delta_h -3.787 #kJ/mol - # Enthalpy of formation: -2369.705 #kJ/mol - -analytic -2.04445E+0 0E+0 1.97808E+2 0E+0 0E+0 - -#Ni(SiO3)(s) -#Ni(SiO3) = 1.000Ni+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O - # log_k - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - # -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -Ni(s) -Ni = 1.000Ni+2 + 1.000H2O - 2.000H+ - 0.500O2 - log_k 51.010 - delta_h -334.775 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #05GAM/BUG - -analytic -7.63998E+0 0E+0 1.74865E+4 0E+0 0E+0 +Ni(SO4):7H2O = Ni+2 + SO4-2 + 7 H2O + log_k -2.27 + delta_h 12.167 #kJ/mol 05GAM/BUG +# Enthalpy of formation: -2977.329 kJ/mol + -analytic -13.84331E-2 00E+0 -63.55267E+1 00E+0 00E+0 Ni0.88Se(cr) -Ni0.88Se = 0.880Ni+2 - 0.760H+ + 1.000HSe- - 0.120H2O + 0.060O2 - log_k -17.919 - delta_h 69.261 #kJ/mol - # Enthalpy of formation: -69.8 #kJ/mol #05OLI/NOL - -analytic -5.78489E+0 0E+0 -3.61773E+3 0E+0 0E+0 +Ni0.88Se = 0.88 Ni+2 - H+ - 0.24 e- + HSe- + log_k -12.76 + delta_h 35.689 #kJ/mol +# Enthalpy of formation: -69.800 kJ/mol 05OLI/NOL + -analytic -65.07556E-1 00E+0 -18.64166E+2 00E+0 00E+0 Ni11As8(cr) -Ni11As8 = 11.000Ni+2 + 2.000H+ + 8.000AsO4-3 - 1.000H2O - 15.500O2 - log_k 874.760 - delta_h -6493.345 #kJ/mol - # Enthalpy of formation: -743 #kJ/mol #05GAM/BUG - -analytic -2.62824E+2 0E+0 3.39171E+5 0E+0 0E+0 +Ni11As8 = 11 Ni+2 + 64 H+ + 62 e- + 8 AsO4-3 - 32 H2O + log_k -457.93 + delta_h 2179.308 #kJ/mol +# Enthalpy of formation: -743.000 kJ/mol 05GAM/BUG + -analytic -76.13163E+0 00E+0 -11.38332E+4 00E+0 00E+0 Ni2(Pyrophos)(cr) -Ni2(Pyrophos) = 2.000Ni+2 + 1.000Pyrophos-4 - log_k -9.820 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -9.82E+0 0E+0 0E+0 0E+0 0E+0 +Ni2(Pyrophos) = 2 Ni+2 + Pyrophos-4 + log_k -9.82 + -analytic -98.2E-1 00E+0 00E+0 00E+0 00E+0 Ni3(AsO3)2(s) -Ni3(AsO3)2 = 3.000Ni+2 + 2.000AsO4-3 - 1.000O2 - log_k 34.500 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.45E+1 0E+0 0E+0 0E+0 0E+0 +Ni3(AsO3)2 = 3 Ni+2 + 4 H+ + 4 e- + 2 AsO4-3 - 2 H2O + log_k -51.48 + -analytic -51.48E+0 00E+0 00E+0 00E+0 00E+0 Ni3(AsO4)2:8H2O(s) -Ni3(AsO4)2:8H2O = 3.000Ni+2 + 2.000AsO4-3 + 8.000H2O - log_k -28.100 #05GAM/BUG - delta_h -48.956 #kJ/mol - # Enthalpy of formation: -4179 #kJ/mol #05GAM/BUG - -analytic -3.66767E+1 0E+0 2.55715E+3 0E+0 0E+0 +Ni3(AsO4)2:8H2O = 3 Ni+2 + 2 AsO4-3 + 8 H2O + log_k -28.1 #05GAM/BUG + delta_h -48.956 #kJ/mol +# Enthalpy of formation: -4179.000 kJ/mol 05GAM/BUG + -analytic -36.67672E+0 00E+0 25.5715E+2 00E+0 00E+0 Ni3(PO4)2(cr) -Ni3(PO4)2 = 3.000Ni+2 - 4.000H+ + 2.000H2(PO4)- - log_k 10.253 - delta_h -188.236 #kJ/mol - # Enthalpy of formation: -2582 #kJ/mol #89BAE/McK - -analytic -2.27245E+1 0E+0 9.83224E+3 0E+0 0E+0 - -#Ni3O4(s) -#Ni3O4 = 3.000Ni+2 - 6.000H+ + 3.000H2O + 0.500O2 - # log_k - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: -819.308 #kJ/mol - # -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 +Ni3(PO4)2 = 3 Ni+2 - 4 H+ + 2 H2(PO4)- + log_k 10.25 + delta_h -188.236 #kJ/mol +# Enthalpy of formation: -2582.000 kJ/mol 89BAE/McK + -analytic -22.72753E+0 00E+0 98.32251E+2 00E+0 00E+0 + +Ni3O4(s) +Ni3O4 = 3 Ni+2 - 8 H+ - 2 e- + 4 H2O + log_k 65.5 + delta_h -489.045 #kJ/mol +# Enthalpy of formation: -819.308 kJ/mol + -analytic -20.17701E+0 00E+0 25.5446E+3 00E+0 00E+0 Ni5As2(cr) -Ni5As2 = 5.000Ni+2 - 4.000H+ + 2.000AsO4-3 + 2.000H2O - 5.000O2 - log_k 323.170 - delta_h -2317.670 #kJ/mol - # Enthalpy of formation: -244.66 #kJ/mol #05GAM/BUG - -analytic -8.28678E+1 0E+0 1.2106E+5 0E+0 0E+0 +Ni5As2 = 5 Ni+2 + 16 H+ + 20 e- + 2 AsO4-3 - 8 H2O + log_k -106.73 + delta_h 479.96 #kJ/mol +# Enthalpy of formation: -244.660 kJ/mol 05GAM/BUG + -analytic -22.64462E+0 00E+0 -25.07006E+3 00E+0 00E+0 NiAs(cr) -NiAs = 1.000Ni+2 + 1.000H+ + 1.000AsO4-3 - 0.500H2O - 1.750O2 - log_k 94.225 - delta_h -708.183 #kJ/mol - # Enthalpy of formation: -70.82 #kJ/mol #05GAM/BUG - -analytic -2.98431E+1 0E+0 3.69909E+4 0E+0 0E+0 +NiAs = Ni+2 + 8 H+ + 7 e- + AsO4-3 - 4 H2O + log_k -56.24 + delta_h 270.988 #kJ/mol +# Enthalpy of formation: -70.820 kJ/mol 05GAM/BUG + -analytic -87.6494E-1 00E+0 -14.15469E+3 00E+0 00E+0 NiBr2(s) -NiBr2 = 1.000Ni+2 + 2.000Br- - log_k 10.170 - delta_h -84.332 #kJ/mol - # Enthalpy of formation: -213.5 #kJ/mol #05GAM/BUG - -analytic -4.60431E+0 0E+0 4.40496E+3 0E+0 0E+0 +NiBr2 = Ni+2 + 2 Br- + log_k 10.17 + delta_h -84.332 #kJ/mol +# Enthalpy of formation: -213.500 kJ/mol 05GAM/BUG + -analytic -46.04332E-1 00E+0 44.04967E+2 00E+0 00E+0 NiCl2(s) -NiCl2 = 1.000Ni+2 + 2.000Cl- - log_k 8.670 - delta_h -84.272 #kJ/mol - # Enthalpy of formation: -304.9 #kJ/mol #05GAM/BUG - -analytic -6.0938E+0 0E+0 4.40183E+3 0E+0 0E+0 +NiCl2 = Ni+2 + 2 Cl- + log_k 8.67 + delta_h -84.272 #kJ/mol +# Enthalpy of formation: -304.900 kJ/mol 05GAM/BUG + -analytic -60.93821E-1 00E+0 44.01833E+2 00E+0 00E+0 NiCl2:2H2O(s) -NiCl2:2H2O = 1.000Ni+2 + 2.000Cl- + 2.000H2O - log_k 4.920 - delta_h -47.461 #kJ/mol - # Enthalpy of formation: -913.371 #kJ/mol - -analytic -3.3948E+0 0E+0 2.47906E+3 0E+0 0E+0 +NiCl2:2H2O = Ni+2 + 2 Cl- + 2 H2O + log_k 4.92 + delta_h -47.458 #kJ/mol +# Enthalpy of formation: -913.372 kJ/mol + -analytic -33.94285E-1 00E+0 24.78904E+2 00E+0 00E+0 NiCl2:4H2O(s) -NiCl2:4H2O = 1.000Ni+2 + 2.000Cl- + 4.000H2O - log_k 3.820 - delta_h -18.444 #kJ/mol #05GAM/BUG - # Enthalpy of formation: -1514.048 #kJ/mol - -analytic 5.88755E-1 0E+0 9.63396E+2 0E+0 0E+0 +NiCl2:4H2O = Ni+2 + 2 Cl- + 4 H2O + log_k 3.82 + delta_h -18.444 #kJ/mol 05GAM/BUG +# Enthalpy of formation: -1514.048 kJ/mol + -analytic 58.87499E-2 00E+0 96.33972E+1 00E+0 00E+0 NiCl2:6H2O(s) -NiCl2:6H2O = 1.000Ni+2 + 2.000Cl- + 6.000H2O - log_k 3.040 - delta_h 0.548 #kJ/mol - # Enthalpy of formation: -2104.7 #kJ/mol #05GAM/BUG - -analytic 3.13601E+0 0E+0 -2.8624E+1 0E+0 0E+0 +NiCl2:6H2O = Ni+2 + 2 Cl- + 6 H2O + log_k 3.04 + delta_h 0.548 #kJ/mol +# Enthalpy of formation: -2104.700 kJ/mol 05GAM/BUG + -analytic 31.36005E-1 00E+0 -28.62403E+0 00E+0 00E+0 NiF2(s) -NiF2 = 1.000Ni+2 + 2.000F- - log_k -0.180 - delta_h -68.412 #kJ/mol - # Enthalpy of formation: -657.3 #kJ/mol #05GAM/BUG - -analytic -1.21653E+1 0E+0 3.5734E+3 0E+0 0E+0 +NiF2 = Ni+2 + 2 F- + log_k -0.18 + delta_h -68.412 #kJ/mol +# Enthalpy of formation: -657.300 kJ/mol 05GAM/BUG + -analytic -12.16527E+0 00E+0 35.73408E+2 00E+0 00E+0 NiI2(s) -NiI2 = 1.000Ni+2 + 2.000I- - log_k 9.610 - delta_h -72.152 #kJ/mol - # Enthalpy of formation: -96.42 #kJ/mol #05GAM/BUG - -analytic -3.03047E+0 0E+0 3.76876E+3 0E+0 0E+0 +NiI2 = Ni+2 + 2 I- + log_k 9.61 + delta_h -72.152 #kJ/mol +# Enthalpy of formation: -96.420 kJ/mol 05GAM/BUG + -analytic -30.30488E-1 00E+0 37.68761E+2 00E+0 00E+0 NiSe2(cr) -NiSe2 = 1.000Ni+2 + 2.000HSe- - 1.000H2O + 0.500O2 - log_k -69.890 - delta_h 368.851 #kJ/mol - # Enthalpy of formation: -115.5 #kJ/mol #05OLI/NOL - -analytic -5.27017E+0 0E+0 -1.92664E+4 0E+0 0E+0 +NiSe2 = Ni+2 - 2 H+ - 2 e- + 2 HSe- + log_k -26.9 + delta_h 89.088 #kJ/mol +# Enthalpy of formation: -115.500 kJ/mol 05OLI/NOL + -analytic -11.29245E+0 00E+0 -46.5339E+2 00E+0 00E+0 + +Nontronite_Nau-2 +Ca0.247K0.02(Si3.458Al0.542)(Fe1.688Al0.276Mg0.068)O10(OH)2 = 0.247 Ca+2 + 0.068 Mg+2 + 0.02 K+ + 1.688 Fe+3 + 0.818 Al+3 - 8.168 H+ + 3.458 H4(SiO4) - 1.832 H2O + log_k 1.3 + delta_h -189.304 #kJ/mol +# Enthalpy of formation: -5035.690 kJ/mol 13GAI/BLA + -analytic -31.86464E+0 00E+0 98.88037E+2 00E+0 00E+0 + -Vm 136.38 Nontronite-Ca -Ca0.17Fe1.67Al0.67Si3.66O10(OH)2 = 0.170Ca+2 + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O - log_k -2.830 - delta_h -145.927 #kJ/mol - # Enthalpy of formation: -4982.32 #kJ/mol #15BLA/VIE - -analytic -2.83953E+1 0E+0 7.62229E+3 0E+0 0E+0 +Ca0.17Fe1.67Al0.67Si3.66O10(OH)2 = 0.17 Ca+2 + 1.67 Fe+3 + 0.67 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O + log_k -2.86 + delta_h -147.69 #kJ/mol +# Enthalpy of formation: -4982.320 kJ/mol 15BLA/VIE + -analytic -28.73418E+0 00E+0 77.14386E+2 00E+0 00E+0 + -Vm 133.74 Nontronite-K -K0.34Fe1.67Al0.67Si3.66O10(OH)2 = 0.340K+ + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O - log_k -4.000 - delta_h -127.394 #kJ/mol - # Enthalpy of formation: -4994.27 #kJ/mol #15BLA/VIE - -analytic -2.63184E+1 0E+0 6.65424E+3 0E+0 0E+0 +K0.34Fe1.67Al0.67Si3.66O10(OH)2 = 0.34 K+ + 1.67 Fe+3 + 0.67 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O + log_k -4.03 + delta_h -129.158 #kJ/mol +# Enthalpy of formation: -4994.270 kJ/mol 15BLA/VIE + -analytic -26.65751E+0 00E+0 67.46392E+2 00E+0 00E+0 + -Vm 132.85 Nontronite-Mg -Mg0.17Fe1.67Al0.67Si3.66O10(OH)2 = 0.170Mg+2 + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O - log_k -3.370 - delta_h -147.107 #kJ/mol - # Enthalpy of formation: -4968.22 #kJ/mol #15BLA/VIE - -analytic -2.9142E+1 0E+0 7.68392E+3 0E+0 0E+0 +Mg0.17Fe1.67Al0.67Si3.66O10(OH)2 = 0.17 Mg+2 + 1.67 Fe+3 + 0.67 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O + log_k -3.41 + delta_h -148.87 #kJ/mol +# Enthalpy of formation: -4968.220 kJ/mol 15BLA/VIE + -analytic -29.4909E+0 00E+0 77.76022E+2 00E+0 00E+0 + -Vm 129.74 Nontronite-Na -Na0.34Fe1.67Al0.67Si3.66O10(OH)2 = 0.340Na+ + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O - log_k -3.500 - delta_h -136.012 #kJ/mol - # Enthalpy of formation: -4981.64 #kJ/mol #15BLA/VIE - -analytic -2.73282E+1 0E+0 7.10439E+3 0E+0 0E+0 +Na0.34Fe1.67Al0.67Si3.66O10(OH)2 = 0.34 Na+ + 1.67 Fe+3 + 0.67 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O + log_k -3.53 + delta_h -137.776 #kJ/mol +# Enthalpy of formation: -4981.640 kJ/mol 15BLA/VIE + -analytic -27.66732E+0 00E+0 71.96542E+2 00E+0 00E+0 + -Vm 132.12 -Nontronite_Nau-2 -Ca0.247K0.02(Si3.458Al0.542)(Fe1.688Al0.276Mg0.068)O10(OH)2 = 0.247Ca+2 + 0.068Mg+2 + 0.020K+ + 1.688Fe+3 + 0.818Al+3 + 3.458H4(SiO4) - 1.832H2O - 8.168H+ - log_k 1.350 - delta_h -187.521 #kJ/mol - # Enthalpy of formation: -5035.69 #kJ/mol #13GAI/BLA - -analytic -3.15022E+1 0E+0 9.79489E+3 0E+0 0E+0 - -Np(CO3)(OH)(s) -Np(CO3)(OH) = 1.000Np+3 - 1.000H+ + 1.000CO3-2 + 1.000H2O - log_k -6.060 #Estimated by correlation with An(III) in function of ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.06E+0 0E+0 0E+0 0E+0 0E+0 +Np(cr) +Np = Np+3 + 3 e- + log_k 89.85 + delta_h -527.184 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 01LEM/FUG + -analytic -25.08672E-1 00E+0 27.53674E+3 00E+0 00E+0 Np(HPO4)2(s) -Np(HPO4)2 = 1.000Np+4 - 2.000H+ + 2.000H2(PO4)- - log_k -16.060 #Estimated by correlation with An(III) in function of ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.606E+1 0E+0 0E+0 0E+0 0E+0 +Np(HPO4)2 = Np+4 - 2 H+ + 2 H2(PO4)- + log_k -16.06 #Estimated by correlation with An(III) in function of ionic radii + -analytic -16.06E+0 00E+0 00E+0 00E+0 00E+0 Np(OH)3(s) -Np(OH)3 = 1.000Np+3 - 3.000H+ + 3.000H2O - log_k 18.000 #80ALL/KIP - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.8E+1 0E+0 0E+0 0E+0 0E+0 - -Np(cr) -Np = 1.000Np+3 + 1.500H2O - 3.000H+ - 0.750O2 - log_k 154.335 - delta_h -946.829 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #01LEM/FUG - -analytic -1.1542E+1 0E+0 4.94562E+4 0E+0 0E+0 +Np(OH)3 = Np+3 - 3 H+ + 3 H2O + log_k 18 #80ALL/KIP + -analytic 18E+0 00E+0 00E+0 00E+0 00E+0 Np2O5(cr) -Np2O5 = 2.000NpO2+ - 2.000H+ + 1.000H2O - log_k 3.700 - delta_h -79.492 #kJ/mol - # Enthalpy of formation: -2162.7 #kJ/mol #01LEM/FUG - -analytic -1.02264E+1 0E+0 4.15215E+3 0E+0 0E+0 - -NpO2(CO3)(s) -NpO2(CO3) = 1.000NpO2+2 + 1.000CO3-2 - log_k -14.600 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.46E+1 0E+0 0E+0 0E+0 0E+0 - -NpO2(CO3)2Na3(s) -NpO2(CO3)2Na3 = 3.000Na+ + 1.000NpO2+ + 2.000CO3-2 - log_k -14.220 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.422E+1 0E+0 0E+0 0E+0 0E+0 - -NpO2(CO3)Na:3.5H2O(s) -NpO2(CO3)Na:3.5H2O = 1.000Na+ + 1.000NpO2+ + 1.000CO3-2 + 3.500H2O - log_k -11.000 #03GUI/FAN - delta_h 30.995 #kJ/mol - # Enthalpy of formation: -2925.151 #kJ/mol - -analytic -5.56992E+0 0E+0 -1.61898E+3 0E+0 0E+0 - -NpO2(NH4)4(CO3)3(s) -NpO2(NH4)4(CO3)3 = 1.000NpO2+2 + 4.000H+ + 3.000CO3-2 + 4.000NH3 - log_k -26.810 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.681E+1 0E+0 0E+0 0E+0 0E+0 - -NpO2(s) -NpO2 = 1.000Np+4 - 4.000H+ + 2.000H2O - log_k -9.750 - delta_h -53.682 #kJ/mol - # Enthalpy of formation: -1074 #kJ/mol #01LEM/FUG - -analytic -1.91547E+1 0E+0 2.804E+3 0E+0 0E+0 +Np2O5 = 2 NpO2+ - 2 H+ + H2O + log_k 3.07 + delta_h -79.492 #kJ/mol +# Enthalpy of formation: -2162.700 kJ/mol 01LEM/FUG + -analytic -10.8564E+0 00E+0 41.52156E+2 00E+0 00E+0 + +NpCO3OH(s) +Np(CO3)(OH) = Np+3 - H+ + CO3-2 + H2O + log_k -6.35 #Estimated using the data for AmCO3OH(s) and the trend versus r identified for AnCO3OH·0.5H2O(s)(orthorhombic). + -analytic -63.5E-1 00E+0 00E+0 00E+0 00E+0 + +NpO2(cr) +NpO2 = Np+4 - 4 H+ + 2 H2O + log_k -9.75 + delta_h -53.682 #kJ/mol +# Enthalpy of formation: -1074.000 kJ/mol 01LEM/FUG + -analytic -19.15468E+0 00E+0 28.04006E+2 00E+0 00E+0 + +NpO2(OH)2:H2O(cr) +NpO2(OH)2:H2O = NpO2+2 - 2 H+ + 3 H2O + log_k 5.47 #20GRE/GAO + -analytic 54.7E-1 00E+0 00E+0 00E+0 00E+0 NpO2:2H2O(am) -NpO2:2H2O = 1.000Np+4 - 4.000H+ + 4.000H2O - log_k -0.700 #03GUI/FAN - delta_h -81.156 #kJ/mol - # Enthalpy of formation: -1618.186 #kJ/mol - -analytic -1.49179E+1 0E+0 4.23907E+3 0E+0 0E+0 - -NpO2OH(am,aged) -NpO2OH = 1.000NpO2+ - 1.000H+ + 1.000H2O - log_k 4.700 #01LEM/FUG - delta_h -41.111 #kJ/mol - # Enthalpy of formation: -1222.9 #kJ/mol #01LEM/FUG - -analytic -2.50233E+0 0E+0 2.14737E+3 0E+0 0E+0 - -NpO2OH(am,fresh) -NpO2OH = 1.000NpO2+ - 1.000H+ + 1.000H2O - log_k 5.300 #01LEM/FUG - delta_h -41.111 #kJ/mol - # Enthalpy of formation: -1222.9 #kJ/mol #01LEM/FUG - -analytic -1.90233E+0 0E+0 2.14737E+3 0E+0 0E+0 - -NpO3:H2O(cr) -NpO3:H2O = 1.000NpO2+2 - 2.000H+ + 2.000H2O - log_k 5.470 #01LEM/FUG - delta_h -52.240 #kJ/mol - # Enthalpy of formation: -1380.153 #kJ/mol - -analytic -3.68204E+0 0E+0 2.72868E+3 0E+0 0E+0 +NpO2:2H2O = Np+4 - 4 H+ + 4 H2O + log_k -0.7 #03GUI/FAN + delta_h -81.154 #kJ/mol +# Enthalpy of formation: -1618.186 kJ/mol + -analytic -14.91757E+0 00E+0 42.38969E+2 00E+0 00E+0 + +NpO2CO3(cr) +NpO2CO3 = NpO2+2 + CO3-2 + log_k -14.83 #20GRE/GAO + -analytic -14.83E+0 00E+0 00E+0 00E+0 00E+0 + +NpO2OH(am) +NpO2OH = NpO2+ - H+ + H2O + log_k 5.3 #01LEM/FUG + delta_h -41.111 #kJ/mol +# Enthalpy of formation: -1222.900 kJ/mol 01LEM/FUG + -analytic -19.02338E-1 00E+0 21.47377E+2 00E+0 00E+0 Okenite -CaSi2O5:2H2O = 1.000Ca+2 - 2.000H+ + 2.000H4(SiO4) - 1.000H2O - log_k 9.180 - delta_h -44.388 #kJ/mol - # Enthalpy of formation: -3135.17 #kJ/mol #10BLA/BOU1 - -analytic 1.40357E+0 0E+0 2.31854E+3 0E+0 0E+0 - -#Olivine -#Ni2(SiO4) = 2.000Ni+2 - 4.000H+ + 1.000H4(SiO4) - # log_k - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: -1396 #kJ/mol #05GAM/BUG - # -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 +CaSi2O5:2H2O = Ca+2 - 2 H+ + 2 H4(SiO4) - H2O + log_k 9.18 + delta_h -44.388 #kJ/mol +# Enthalpy of formation: -3135.170 kJ/mol 10BLA/BOU1 + -analytic 14.03556E-1 00E+0 23.18547E+2 00E+0 00E+0 + -Vm 94.77 + +Olivine +Ni2(SiO4) = 2 Ni+2 - 4 H+ + H4(SiO4) + log_k 19.68 + delta_h -175.218 #kJ/mol +# Enthalpy of formation: -1396.000 kJ/mol 05GAM/BUG + -analytic -11.01688E+0 00E+0 91.52274E+2 00E+0 00E+0 Orpiment -As2S3 = 9.000H+ + 3.000HS- + 2.000AsO4-3 - 6.000H2O - 1.000O2 - log_k -41.480 - delta_h -6.843 #kJ/mol - # Enthalpy of formation: -91.223 #kJ/mol - -analytic -4.26788E+1 0E+0 3.57434E+2 0E+0 0E+0 +As2S3 = 13 H+ + 4 e- + 3 HS- + 2 AsO4-3 - 8 H2O + log_k -127.46 + delta_h 552.68 #kJ/mol +# Enthalpy of formation: -91.223 kJ/mol + -analytic -30.63462E+0 00E+0 -28.86849E+3 00E+0 00E+0 P(cr) -P = 1.000H+ + 1.000H2(PO4)- - 1.500H2O - 1.250O2 - log_k 140.515 - delta_h -858.688 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #89COX/WAG - -analytic -9.92037E+0 0E+0 4.48523E+4 0E+0 0E+0 +P = 6 H+ + 5 e- + H2(PO4)- - 4 H2O + log_k 33.04 + delta_h -159.28 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic 51.35342E-1 00E+0 83.19774E+2 00E+0 00E+0 Pa(cr) -Pa = 1.000Pa+4 + 2.000H2O - 4.000H+ - 1.000O2 - log_k 184.730 - delta_h -1179.526 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #85BAR/PAR - -analytic -2.19138E+1 0E+0 6.16108E+4 0E+0 0E+0 +Pa = 4 e- + Pa+4 + log_k 98.75 + delta_h -620 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 85BAR/PAR + -analytic -98.69337E-1 00E+0 32.38486E+3 00E+0 00E+0 Pa2O5(s) -Pa2O5 = - 2.000H+ + 2.000PaO2+ + 1.000H2O - log_k -4.000 #76BAE/MES - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4E+0 0E+0 0E+0 0E+0 0E+0 +Pa2O5 = -2 H+ + 2 PaO2+ + H2O + log_k -4 #76BAE/MES; Uncertainty to include available data. + -analytic -40E-1 00E+0 00E+0 00E+0 00E+0 PaO2(s) -PaO2 = - 4.000H+ + 1.000Pa+4 + 2.000H2O - log_k 0.600 #76BAE/MES - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6E-1 0E+0 0E+0 0E+0 0E+0 +PaO2 = -4 H+ + Pa+4 + 2 H2O + log_k 0.6 #76BAE/MES + -analytic 60E-2 00E+0 00E+0 00E+0 00E+0 Paragonite -NaAl3Si3O10(OH)2 = 1.000Na+ + 3.000Al+3 - 10.000H+ + 3.000H4(SiO4) - log_k 16.800 - delta_h -301.622 #kJ/mol - # Enthalpy of formation: -5937.5 #kJ/mol #96ROU/HOV - -analytic -3.60418E+1 0E+0 1.57548E+4 0E+0 0E+0 +NaAl3Si3O10(OH)2 = Na+ + 3 Al+3 - 10 H+ + 3 H4(SiO4) + log_k 16.79 + delta_h -301.622 #kJ/mol +# Enthalpy of formation: -5937.500 kJ/mol 96ROU/HOV + -analytic -36.05191E+0 00E+0 15.75481E+3 00E+0 00E+0 + -Vm 132.1 Paralaurionite -PbCl(OH) = 1.000Pb+2 - 1.000H+ + 1.000Cl- + 1.000H2O - log_k 0.620 #99LOT/OCH - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.2E-1 0E+0 0E+0 0E+0 0E+0 +PbCl(OH) = Pb+2 - H+ + Cl- + H2O + log_k 0.62 #99LOT/OCH + -analytic 62E-2 00E+0 00E+0 00E+0 00E+0 + +Pb(cr) +Pb = Pb+2 + 2 e- + log_k 4.25 + delta_h 0.92 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic 44.11177E-1 00E+0 -48.05495E+0 00E+0 00E+0 Pb(H2PO4)2(cr) -Pb(H2PO4)2 = 1.000Pb+2 + 2.000H2(PO4)- - log_k -9.840 #74NRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -9.84E+0 0E+0 0E+0 0E+0 0E+0 +Pb(H2PO4)2 = Pb+2 + 2 H2(PO4)- + log_k -9.84 #74NRI + -analytic -98.4E-1 00E+0 00E+0 00E+0 00E+0 Pb(HPO4)(s) -Pb(HPO4) = 1.000Pb+2 - 1.000H+ + 1.000H2(PO4)- - log_k -4.250 #74NRI - delta_h 16.436 #kJ/mol - # Enthalpy of formation: -1318.116 #kJ/mol - -analytic -1.37054E+0 0E+0 -8.58511E+2 0E+0 0E+0 +Pb(HPO4) = Pb+2 - H+ + H2(PO4)- + log_k -4.25 #74NRI + delta_h 16.436 #kJ/mol +# Enthalpy of formation: -1318.115 kJ/mol + -analytic -13.70536E-1 00E+0 -85.85121E+1 00E+0 00E+0 Pb(OH)2(s) -Pb(OH)2 = 1.000Pb+2 - 2.000H+ + 2.000H2O - log_k 13.510 - delta_h -56.140 #kJ/mol - # Enthalpy of formation: -514.6 #kJ/mol #52LAT - -analytic 3.67471E+0 0E+0 2.93239E+3 0E+0 0E+0 +Pb(OH)2 = Pb+2 - 2 H+ + 2 H2O + log_k 13.51 + delta_h -56.14 #kJ/mol +# Enthalpy of formation: -514.600 kJ/mol 52LAT; Uncertainty to cover available data. + -analytic 36.74694E-1 00E+0 29.32396E+2 00E+0 00E+0 + +Pb(Ox)(cr) +Pb(Ox) = Pb+2 + Ox-2 + log_k -11.13 #13XIO/KIR + -analytic -11.13E+0 00E+0 00E+0 00E+0 00E+0 Pb(SeO3)(s) -Pb(SeO3) = 1.000Pb+2 + 1.000SeO3-2 - log_k -12.500 #05OLI/NOL - delta_h 25.840 #kJ/mol - # Enthalpy of formation: -532.08 #kJ/mol #05OLI/NOL - -analytic -7.97303E+0 0E+0 -1.34972E+3 0E+0 0E+0 +Pb(SeO3) = Pb+2 + SeO3-2 + log_k -12.5 #05OLI/NOL + delta_h 25.84 #kJ/mol +# Enthalpy of formation: -532.080 kJ/mol 05OLI/NOL + -analytic -79.73026E-1 00E+0 -13.49717E+2 00E+0 00E+0 Pb(SeO4)(s) -Pb(SeO4) = 1.000Pb+2 + 1.000SeO4-2 - log_k -6.900 #05OLI/NOL - delta_h 4.720 #kJ/mol #05OLI/NOL - # Enthalpy of formation: -607.3 #kJ/mol - -analytic -6.07309E+0 0E+0 -2.46542E+2 0E+0 0E+0 - -Pb(cr) -Pb = 1.000Pb+2 + 1.000H2O - 2.000H+ - 0.500O2 - log_k 47.240 - delta_h -278.843 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #89COX/WAG - -analytic -1.61112E+0 0E+0 1.4565E+4 0E+0 0E+0 +Pb(SeO4) = Pb+2 + SeO4-2 + log_k -6.9 #05OLI/NOL + delta_h 4.72 #kJ/mol 05OLI/NOL +# Enthalpy of formation: -607.300 kJ/mol + -analytic -60.73091E-1 00E+0 -24.65428E+1 00E+0 00E+0 Pb2(SiO4)(s) -Pb2(SiO4) = 2.000Pb+2 - 4.000H+ + 1.000H4(SiO4) - log_k 15.890 - delta_h -81.474 #kJ/mol - # Enthalpy of formation: -1377.88 #kJ/mol #98CHA - -analytic 1.61639E+0 0E+0 4.25568E+3 0E+0 0E+0 +Pb2(SiO4) = 2 Pb+2 - 4 H+ + H4(SiO4) + log_k 15.89 + delta_h -81.474 #kJ/mol +# Enthalpy of formation: -1377.880 kJ/mol 98CHA + -analytic 16.16368E-1 00E+0 42.55683E+2 00E+0 00E+0 Pb3(AsO4)2(s) -Pb3(AsO4)2 = 3.000Pb+2 + 2.000AsO4-3 - log_k -35.400 #74NAU/RYZ - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.54E+1 0E+0 0E+0 0E+0 0E+0 +Pb3(AsO4)2 = 3 Pb+2 + 2 AsO4-3 + log_k -35.4 #74NAU/RYZ + -analytic -35.4E+0 00E+0 00E+0 00E+0 00E+0 Pb3(PO4)2(s) -Pb3(PO4)2 = 3.000Pb+2 - 4.000H+ + 2.000H2(PO4)- - log_k -5.260 #74NRI - delta_h -3.548 #kJ/mol - # Enthalpy of formation: -2598.892 #kJ/mol - -analytic -5.88158E+0 0E+0 1.85325E+2 0E+0 0E+0 +Pb3(PO4)2 = 3 Pb+2 - 4 H+ + 2 H2(PO4)- + log_k -5.26 #74NRI + delta_h -3.548 #kJ/mol +# Enthalpy of formation: -2598.892 kJ/mol + -analytic -58.81583E-1 00E+0 18.53249E+1 00E+0 00E+0 Pb4O(PO4)2(cr) -Pb4O(PO4)2 = 4.000Pb+2 - 6.000H+ + 2.000H2(PO4)- + 1.000H2O - log_k 2.240 #74NRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.24E+0 0E+0 0E+0 0E+0 0E+0 +Pb4O(PO4)2 = 4 Pb+2 - 6 H+ + 2 H2(PO4)- + H2O + log_k 2.24 #74NRI + -analytic 22.4E-1 00E+0 00E+0 00E+0 00E+0 PbB2O4(s) -PbB2O4 = 1.000Pb+2 + 2.000B(OH)4- - 4.000H2O - log_k -10.870 #91BAL/NOR - delta_h 2.761 #kJ/mol #91BAL/NOR - # Enthalpy of formation: -1548.753 #kJ/mol - -analytic -1.03863E+1 0E+0 -1.44217E+2 0E+0 0E+0 +PbB2O4 = Pb+2 + 2 B(OH)4- - 4 H2O + log_k -10.87 #91BAL/NOR + delta_h 2.761 #kJ/mol 91BAL/NOR +# Enthalpy of formation: -1548.753 kJ/mol + -analytic -10.38629E+0 00E+0 -14.42171E+1 00E+0 00E+0 PbF2(s) -PbF2 = 1.000Pb+2 + 2.000F- - log_k -7.520 #99LOT/OCH - delta_h 6.530 #kJ/mol - # Enthalpy of formation: -676.31 #kJ/mol - -analytic -6.37599E+0 0E+0 -3.41085E+2 0E+0 0E+0 +PbF2 = Pb+2 + 2 F- + log_k -7.52 #99LOT/OCH + delta_h 6.53 #kJ/mol +# Enthalpy of formation: -676.309 kJ/mol + -analytic -63.75993E-1 00E+0 -34.10857E+1 00E+0 00E+0 PbI2(cr) -PbI2 = 1.000Pb+2 + 2.000I- - log_k -8.050 - delta_h 62.801 #kJ/mol - # Enthalpy of formation: -175.441 #kJ/mol - -analytic 2.95225E+0 0E+0 -3.28032E+3 0E+0 0E+0 +PbI2 = Pb+2 + 2 I- + log_k -8.05 + delta_h 62.816 #kJ/mol +# Enthalpy of formation: -175.456 kJ/mol + -analytic 29.54891E-1 00E+0 -32.81108E+2 00E+0 00E+0 PbMoO4(s) -PbMoO4 = 1.000Pb+2 + 1.000MoO4-2 - log_k -15.800 - delta_h 55.795 #kJ/mol - # Enthalpy of formation: -1051.875 #kJ/mol - -analytic -6.02515E+0 0E+0 -2.91437E+3 0E+0 0E+0 +PbMoO4 = Pb+2 + MoO4-2 + log_k -15.8 + delta_h 55.795 #kJ/mol +# Enthalpy of formation: -1051.875 kJ/mol + -analytic -60.25136E-1 00E+0 -29.14376E+2 00E+0 00E+0 PbSiO3(Glass) -PbSiO3 = 1.000Pb+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O - log_k 6.600 - delta_h -36.814 #kJ/mol - # Enthalpy of formation: -1137.63 #kJ/mol #74NAU/RYZ - -analytic 1.50474E-1 0E+0 1.92293E+3 0E+0 0E+0 - -Pd(OH)2(s) -Pd(OH)2 = - 2.000H+ + 1.000Pd+2 + 2.000H2O - log_k -1.610 #70NAB/KAL - delta_h 13.223 #kJ/mol - # Enthalpy of formation: -395 #kJ/mol #82WAG/EVA - -analytic 7.06567E-1 0E+0 -6.90684E+2 0E+0 0E+0 +PbSiO3 = Pb+2 - 2 H+ + H4(SiO4) - H2O + log_k 6.6 + delta_h -36.814 #kJ/mol +# Enthalpy of formation: -1137.630 kJ/mol 74NAU/RYZ + -analytic 15.04641E-2 00E+0 19.22929E+2 00E+0 00E+0 Pd(cr) -Pd = 1.000Pd+2 + 1.000H2O - 2.000H+ - 0.500O2 - log_k 9.960 #43TEM/WAT - delta_h -89.880 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol - -analytic -5.78628E+0 0E+0 4.69475E+3 0E+0 0E+0 +Pd = Pd+2 + 2 e- + log_k -33.03 + delta_h 189.889 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 79ROB/HEM in 98SAS/SHO + -analytic 23.71248E-2 00E+0 -99.18593E+2 00E+0 00E+0 + +Pd(OH)2(am) +Pd(OH)2 = -2 H+ + Pd+2 + 2 H2O + log_k -3.58 #12RAI/YUI + delta_h 13.229 #kJ/mol +# Enthalpy of formation: -395.000 kJ/mol 82WAG/EVA + -analytic -12.62379E-1 00E+0 -69.09988E+1 00E+0 00E+0 PdBr2(cr) -PdBr2 = 1.000Pd+2 + 2.000Br- - log_k -13.310 #89BAE/McK - delta_h 51.263 #kJ/mol - # Enthalpy of formation: -104.2 #kJ/mol #89BAE/McK - -analytic -4.32912E+0 0E+0 -2.67765E+3 0E+0 0E+0 +PdBr2 = Pd+2 + 2 Br- + log_k -13.31 #89BAE/McK + delta_h 51.269 #kJ/mol +# Enthalpy of formation: -104.200 kJ/mol 89BAE/McK + -analytic -43.28057E-1 00E+0 -26.77966E+2 00E+0 00E+0 PdCl2(cr) -PdCl2 = 1.000Pd+2 + 2.000Cl- - log_k -9.200 - delta_h 54.423 #kJ/mol - # Enthalpy of formation: -198.7 #kJ/mol #82WAG/EVA - -analytic 3.34486E-1 0E+0 -2.84271E+3 0E+0 0E+0 +PdCl2 = Pd+2 + 2 Cl- + log_k -9.2 + delta_h 54.429 #kJ/mol +# Enthalpy of formation: -198.700 kJ/mol 82WAG/EVA + -analytic 33.55515E-2 00E+0 -28.43025E+2 00E+0 00E+0 PdI2(cr) -PdI2 = 1.000Pd+2 + 2.000I- - log_k -25.870 - delta_h 139.923 #kJ/mol - # Enthalpy of formation: -63.6 #kJ/mol #89BAE/McK - -analytic -1.35658E+0 0E+0 -7.30868E+3 0E+0 0E+0 +PdI2 = Pd+2 + 2 I- + log_k -25.87 + delta_h 139.929 #kJ/mol +# Enthalpy of formation: -63.600 kJ/mol 89BAE/McK + -analytic -13.55492E-1 00E+0 -73.09001E+2 00E+0 00E+0 PdO(s) -PdO = - 2.000H+ + 1.000Pd+2 + 1.000H2O - log_k -6.020 - delta_h -10.547 #kJ/mol - # Enthalpy of formation: -85.4 #kJ/mol #82WAG/EVA - -analytic -7.86775E+0 0E+0 5.50907E+2 0E+0 0E+0 +PdO = -2 H+ + Pd+2 + H2O + log_k -6.02 + delta_h -10.541 #kJ/mol +# Enthalpy of formation: -85.400 kJ/mol 82WAG/EVA + -analytic -78.66704E-1 00E+0 55.05948E+1 00E+0 00E+0 PdS(s) -PdS = - 1.000H+ + 1.000Pd+2 + 1.000HS- - log_k -46.860 - delta_h 244.293 #kJ/mol - # Enthalpy of formation: -70.71 #kJ/mol #74MIL - -analytic -4.06177E+0 0E+0 -1.27603E+4 0E+0 0E+0 +PdS = - H+ + Pd+2 + HS- + log_k -46.86 + delta_h 244.299 #kJ/mol +# Enthalpy of formation: -70.710 kJ/mol 74MIL + -analytic -40.60652E-1 00E+0 -12.76063E+3 00E+0 00E+0 PdSe(s) -PdSe = - 1.000H+ + 1.000Pd+2 + 1.000HSe- - log_k -49.110 - delta_h 254.463 #kJ/mol - # Enthalpy of formation: -50.28 #kJ/mol #74MIL - -analytic -4.53006E+0 0E+0 -1.32915E+4 0E+0 0E+0 +PdSe = - H+ + Pd+2 + HSe- + log_k -49.11 + delta_h 254.469 #kJ/mol +# Enthalpy of formation: -50.280 kJ/mol 74MIL + -analytic -45.28945E-1 00E+0 -13.29184E+3 00E+0 00E+0 Pentahydrite -MgSO4:5H2O = 1.000Mg+2 + 1.000SO4-2 + 5.000H2O - log_k -1.280 #80HAR/WEA - delta_h -14.187 #kJ/mol - # Enthalpy of formation: -2791.303 #kJ/mol - -analytic -3.76545E+0 0E+0 7.41038E+2 0E+0 0E+0 +MgSO4:5H2O = Mg+2 + SO4-2 + 5 H2O + log_k -1.28 #80HAR/WEA + delta_h -14.187 #kJ/mol +# Enthalpy of formation: -2791.300 kJ/mol + -analytic -37.65456E-1 00E+0 74.10386E+1 00E+0 00E+0 Periclase -MgO = 1.000Mg+2 - 2.000H+ + 1.000H2O - log_k 21.580 - delta_h -151.230 #kJ/mol - # Enthalpy of formation: -601.6 #kJ/mol #89COX/WAG - -analytic -4.91432E+0 0E+0 7.89928E+3 0E+0 0E+0 +MgO = Mg+2 - 2 H+ + H2O + log_k 21.58 + delta_h -151.23 #kJ/mol +# Enthalpy of formation: -601.600 kJ/mol 89COX/WAG + -analytic -49.14359E-1 00E+0 78.99293E+2 00E+0 00E+0 + -Vm 11.25 Phillipsite_Ca -Ca0.5AlSi3O8:3H2O = 0.500Ca+2 + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 1.000H2O - log_k 2.320 #09BLA - delta_h -83.630 #kJ/mol - # Enthalpy of formation: -4824.022 #kJ/mol - -analytic -1.23313E+1 0E+0 4.36829E+3 0E+0 0E+0 +Ca0.5AlSi3O8:3H2O = 0.5 Ca+2 + Al+3 - 4 H+ + 3 H4(SiO4) - H2O + log_k 2.32 #09BLA + delta_h -83.633 #kJ/mol +# Enthalpy of formation: -4824.020 kJ/mol + -analytic -12.33187E+0 00E+0 43.68456E+2 00E+0 00E+0 + -Vm 151.15 Phillipsite_K -KAlSi3O8:3H2O = 1.000K+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 1.000H2O - log_k 0.040 #09BLA - delta_h -46.433 #kJ/mol - # Enthalpy of formation: -4841.859 #kJ/mol - -analytic -8.0947E+0 0E+0 2.42536E+3 0E+0 0E+0 +KAlSi3O8:3H2O = K+ + Al+3 - 4 H+ + 3 H4(SiO4) - H2O + log_k 0.04 #09BLA + delta_h -46.436 #kJ/mol +# Enthalpy of formation: -4841.858 kJ/mol + -analytic -80.95238E-1 00E+0 24.25521E+2 00E+0 00E+0 + -Vm 148.97 Phillipsite_Na -NaAlSi3O8:3H2O = 1.000Na+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 1.000H2O - log_k 1.450 #09BLA - delta_h -64.815 #kJ/mol - # Enthalpy of formation: -4811.677 #kJ/mol - -analytic -9.90508E+0 0E+0 3.38552E+3 0E+0 0E+0 +NaAlSi3O8:3H2O = Na+ + Al+3 - 4 H+ + 3 H4(SiO4) - H2O + log_k 1.45 #09BLA + delta_h -64.833 #kJ/mol +# Enthalpy of formation: -4811.661 kJ/mol + -analytic -99.08254E-1 00E+0 33.86463E+2 00E+0 00E+0 + -Vm 149.69 Phlogopite_K -KMg3Si3AlO10(OH)2 = 3.000Mg+2 + 1.000K+ + 1.000Al+3 - 10.000H+ + 3.000H4(SiO4) - log_k 41.100 - delta_h -360.122 #kJ/mol - # Enthalpy of formation: -6215 #kJ/mol #92CIR/NAV - -analytic -2.19906E+1 0E+0 1.88105E+4 0E+0 0E+0 +KMg3Si3AlO10(OH)2 = 3 Mg+2 + K+ + Al+3 - 10 H+ + 3 H4(SiO4) + log_k 41.08 + delta_h -360.122 #kJ/mol +# Enthalpy of formation: -6215.000 kJ/mol 92CIR/NAV + -analytic -22.01067E+0 00E+0 18.81048E+3 00E+0 00E+0 + -Vm 149.65 Phlogopite_Na -NaMg3AlSi3O10(OH)2 = 3.000Mg+2 + 1.000Na+ + 1.000Al+3 - 10.000H+ + 3.000H4(SiO4) - log_k 44.200 - delta_h -391.182 #kJ/mol - # Enthalpy of formation: -6172.14 #kJ/mol #98HOL/POW - -analytic -2.4332E+1 0E+0 2.04328E+4 0E+0 0E+0 +NaMg3AlSi3O10(OH)2 = 3 Mg+2 + Na+ + Al+3 - 10 H+ + 3 H4(SiO4) + log_k 44.18 + delta_h -391.182 #kJ/mol +# Enthalpy of formation: -6172.140 kJ/mol 98HOL/POW + -analytic -24.35214E+0 00E+0 20.43286E+3 00E+0 00E+0 + -Vm 144.5 Phosgenite -Pb2(CO3)Cl2 = 2.000Pb+2 + 1.000CO3-2 + 2.000Cl- - log_k 19.900 #74NAU/RYZ - delta_h -163.291 #kJ/mol - # Enthalpy of formation: -844.259 #kJ/mol - -analytic -8.70731E+0 0E+0 8.52927E+3 0E+0 0E+0 +Pb2(CO3)Cl2 = 2 Pb+2 + CO3-2 + 2 Cl- + log_k 19.9 #74NAU/RYZ + delta_h -163.291 #kJ/mol +# Enthalpy of formation: -844.259 kJ/mol + -analytic -87.07355E-1 00E+0 85.29283E+2 00E+0 00E+0 Picromerite -K2Mg(SO4)2:6H2O = 1.000Mg+2 + 2.000K+ + 2.000SO4-2 + 6.000H2O - log_k -4.330 #84HAR/MOL - delta_h 33.487 #kJ/mol - # Enthalpy of formation: -4538.427 #kJ/mol #74NAU/RYZ - -analytic 1.53666E+0 0E+0 -1.74915E+3 0E+0 0E+0 +K2Mg(SO4)2:6H2O = Mg+2 + 2 K+ + 2 SO4-2 + 6 H2O + log_k -4.33 #84HAR/MOL + delta_h 33.487 #kJ/mol +# Enthalpy of formation: -4538.427 kJ/mol 74NAU/RYZ + -analytic 15.36671E-1 00E+0 -17.49148E+2 00E+0 00E+0 Pirssonite -Na2Ca(CO3)2:2H2O = 1.000Ca+2 + 2.000Na+ + 2.000CO3-2 + 2.000H2O - log_k -8.910 #99KON/KON - delta_h 9.580 #kJ/mol - # Enthalpy of formation: -2955.38 #kJ/mol - -analytic -7.23166E+0 0E+0 -5.00398E+2 0E+0 0E+0 +Na2Ca(CO3)2:2H2O = Ca+2 + 2 Na+ + 2 CO3-2 + 2 H2O + log_k -8.91 #99KON/KON + delta_h 9.579 #kJ/mol +# Enthalpy of formation: -2955.379 kJ/mol + -analytic -72.31831E-1 00E+0 -50.0346E+1 00E+0 00E+0 Plattnerite -PbO2 = 1.000Pb+2 - 2.000H+ + 1.000H2O + 0.500O2 - log_k 6.610 - delta_h -16.507 #kJ/mol - # Enthalpy of formation: -274.47 #kJ/mol #98CHA - -analytic 3.7181E+0 0E+0 8.62219E+2 0E+0 0E+0 +PbO2 = Pb+2 - 4 H+ - 2 e- + 2 H2O + log_k 49.6 + delta_h -296.27 #kJ/mol +# Enthalpy of formation: -274.470 kJ/mol 98CHA + -analytic -23.04276E-1 00E+0 15.47526E+3 00E+0 00E+0 Plumbogummite -PbAl3(PO4)2(OH)5:H2O = 1.000Pb+2 + 3.000Al+3 - 9.000H+ + 2.000H2(PO4)- + 6.000H2O - log_k 13.240 #74NRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.324E+1 0E+0 0E+0 0E+0 0E+0 +PbAl3(PO4)2(OH)5:H2O = Pb+2 + 3 Al+3 - 9 H+ + 2 H2(PO4)- + 6 H2O + log_k 13.24 #74NRI + -analytic 13.24E+0 00E+0 00E+0 00E+0 00E+0 Plumbonacrite -Pb10(CO3)6O(OH)6 = 10.000Pb+2 - 8.000H+ + 6.000CO3-2 + 7.000H2O - log_k -42.090 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.209E+1 0E+0 0E+0 0E+0 0E+0 +Pb10(CO3)6O(OH)6 = 10 Pb+2 - 8 H+ + 6 CO3-2 + 7 H2O + log_k -42.09 + -analytic -42.09E+0 00E+0 00E+0 00E+0 00E+0 Polydymite -Ni3S4 = 3.000Ni+2 - 2.000H+ + 4.000HS- - 1.000H2O + 0.500O2 - log_k -82.260 - delta_h 375.879 #kJ/mol - # Enthalpy of formation: -326.352 #kJ/mol #74MIL - -analytic -1.64089E+1 0E+0 -1.96335E+4 0E+0 0E+0 +Ni3S4 = 3 Ni+2 - 4 H+ - 2 e- + 4 HS- + log_k -39.27 + delta_h 96.116 #kJ/mol +# Enthalpy of formation: -326.352 kJ/mol 74MIL + -analytic -22.4312E+0 00E+0 -50.20488E+2 00E+0 00E+0 Polyhalite -K2MgCa2(SO4)4:2H2O = 2.000Ca+2 + 1.000Mg+2 + 2.000K+ + 4.000SO4-2 + 2.000H2O - log_k -13.740 #84HAR/MOL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.374E+1 0E+0 0E+0 0E+0 0E+0 +K2MgCa2(SO4)4:2H2O = 2 Ca+2 + Mg+2 + 2 K+ + 4 SO4-2 + 2 H2O + log_k -13.74 #84HAR/MOL + -analytic -13.74E+0 00E+0 00E+0 00E+0 00E+0 Portlandite -Ca(OH)2 = 1.000Ca+2 - 2.000H+ + 2.000H2O - log_k 22.810 #10BLA/BOU1 - delta_h -130.078 #kJ/mol - # Enthalpy of formation: -984.582 #kJ/mol - -analytic 2.13461E-2 0E+0 6.79444E+3 0E+0 0E+0 - -Pu(CO3)(OH)(s) -Pu(CO3)(OH) = 1.000Pu+3 - 1.000H+ + 1.000CO3-2 + 1.000H2O - log_k -5.740 #Estimated by correlation with An(III) in function of ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.74E+0 0E+0 0E+0 0E+0 0E+0 - -Pu(HPO4)2(am,hyd) -Pu(HPO4)2 = 1.000Pu+4 - 2.000H+ + 2.000H2(PO4)- - log_k -16.030 #01LEM/FUG - delta_h -32.718 #kJ/mol - # Enthalpy of formation: -3112.377 #kJ/mol - -analytic -2.17619E+1 0E+0 1.70898E+3 0E+0 0E+0 - -Pu(OH)3(cr) -Pu(OH)3 = 1.000Pu+3 - 3.000H+ + 3.000H2O - log_k 15.800 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.58E+1 0E+0 0E+0 0E+0 0E+0 - -Pu(OH)4(am) -Pu(OH)4 = 1.000Pu+4 - 4.000H+ + 4.000H2O - log_k -0.800 #89LEM/GAR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -8E-1 0E+0 0E+0 0E+0 0E+0 - -Pu(PO4)(s,hyd) -Pu(PO4) = 1.000Pu+3 - 2.000H+ + 1.000H2(PO4)- - log_k -5.040 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.04E+0 0E+0 0E+0 0E+0 0E+0 +Ca(OH)2 = Ca+2 - 2 H+ + 2 H2O + log_k 22.81 #10BLA/BOU1 + delta_h -130.107 #kJ/mol +# Enthalpy of formation: -984.552 kJ/mol + -analytic 16.23204E-3 00E+0 67.95962E+2 00E+0 00E+0 + -Vm 33.06 Pu(cr) -Pu = 1.000Pu+3 + 1.500H2O - 3.000H+ - 0.750O2 - log_k 165.915 - delta_h -1011.435 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #01LEM/FUG - -analytic -1.12805E+1 0E+0 5.28308E+4 0E+0 0E+0 +Pu = Pu+3 + 3 e- + log_k 101.43 + delta_h -591.79 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 01LEM/FUG + -analytic -22.47158E-1 00E+0 30.91134E+3 00E+0 00E+0 + +Pu(HPO4)2(am,hyd) +Pu(HPO4)2 = Pu+4 - 2 H+ + 2 H2(PO4)- + log_k -16.03 #01LEM/FUG + delta_h -32.691 #kJ/mol +# Enthalpy of formation: -3112.403 kJ/mol + -analytic -21.75722E+0 00E+0 17.0757E+2 00E+0 00E+0 + +Pu(OH)3(am) +Pu(OH)3 = Pu+3 - 3 H+ + 3 H2O + log_k 14.58 #20GRE/GAO + -analytic 14.58E+0 00E+0 00E+0 00E+0 00E+0 + +Pu(PO4)(am) +Pu(PO4) = Pu+3 - 2 H+ + H2(PO4)- + log_k -4.88 #20GRE/GAO + -analytic -48.8E-1 00E+0 00E+0 00E+0 00E+0 Pu2O3(s) -Pu2O3 = 2.000Pu+3 - 6.000H+ + 3.000H2O - log_k 50.630 - delta_h -385.070 #kJ/mol - # Enthalpy of formation: -1656 #kJ/mol #01LEM/FUG - -analytic -1.68313E+1 0E+0 2.01136E+4 0E+0 0E+0 +Pu2O3 = 2 Pu+3 - 6 H+ + 3 H2O + log_k 50.63 + delta_h -385.07 #kJ/mol +# Enthalpy of formation: -1656.000 kJ/mol 01LEM/FUG + -analytic -16.83137E+0 00E+0 20.11361E+3 00E+0 00E+0 PuAs(s) -PuAs = 1.000AsO4-3 + 1.000PuO2+2 - 0.500H2O + 1.000H+ - 2.750O2 - log_k 192.005 - delta_h -1293.893 #kJ/mol - # Enthalpy of formation: -240 #kJ/mol #01LEM/FUG - -analytic -3.46749E+1 0E+0 6.75846E+4 0E+0 0E+0 +PuAs = PuO2+2 + 12 H+ + 11 e- + AsO4-3 - 6 H2O + log_k -44.42 + delta_h 244.804 #kJ/mol +# Enthalpy of formation: -240.000 kJ/mol 01LEM/FUG + -analytic -15.3218E-1 00E+0 -12.787E+3 00E+0 00E+0 + +PuCO3OH(s) +Pu(CO3)(OH) = Pu+3 - H+ + CO3-2 + H2O + log_k -6.27 #Estimated using the data for AmCO3OH(s) and the trend versus r identified for AnCO3OH·0.5H2O(s)(orthorhombic). + -analytic -62.7E-1 00E+0 00E+0 00E+0 00E+0 PuF4(s) -PuF4 = 1.000Pu+4 + 4.000F- - log_k -26.070 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.607E+1 0E+0 0E+0 0E+0 0E+0 - -PuO2(CO3)(s) -PuO2(CO3) = 1.000PuO2+2 + 1.000CO3-2 - log_k -14.650 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.465E+1 0E+0 0E+0 0E+0 0E+0 - -PuO2(OH)(s) -PuO2(OH) = 1.000PuO2+ - 1.000H+ + 1.000H2O - log_k 5.000 #01LEM/FUG - delta_h -36.164 #kJ/mol - # Enthalpy of formation: -1159.793 #kJ/mol - -analytic -1.33565E+0 0E+0 1.88897E+3 0E+0 0E+0 - -PuO2(OH)2:H2O(s) -PuO2(OH)2:H2O = 1.000PuO2+2 - 2.000H+ + 3.000H2O - log_k 5.500 #01LEM/FUG - delta_h -46.718 #kJ/mol - # Enthalpy of formation: -1632.808 #kJ/mol - -analytic -2.68463E+0 0E+0 2.44025E+3 0E+0 0E+0 +PuF4 = Pu+4 + 4 F- + log_k -26.07 #01LEM/FUG + -analytic -26.07E+0 00E+0 00E+0 00E+0 00E+0 + +PuO2(CO3)(cr) +PuO2(CO3) = PuO2+2 + CO3-2 + log_k -14.82 #20GRE/GAO + -analytic -14.82E+0 00E+0 00E+0 00E+0 00E+0 + +PuO2(coll) +PuO2 = Pu+4 - 4 H+ + 2 H2O + log_k 0.2 #07NEC/ALT3 + -analytic 20E-2 00E+0 00E+0 00E+0 00E+0 + +PuO2(cr) +PuO2 = Pu+4 - 4 H+ + 2 H2O + log_k -8.03 + delta_h -55.755 #kJ/mol +# Enthalpy of formation: -1055.800 kJ/mol 01LEM/FUG + -analytic -17.79786E+0 00E+0 29.12286E+2 00E+0 00E+0 + +PuO2(OH)2:H2O(am) +PuO2(OH)2:H2O = PuO2+2 - 2 H+ + 3 H2O + log_k 5.17 #20GRE/GAO + delta_h -44.834 #kJ/mol +# Enthalpy of formation: -1634.691 kJ/mol + -analytic -26.8458E-1 00E+0 23.41843E+2 00E+0 00E+0 PuO2(Ox):3H2O(s) -PuO2(Ox):3H2O = 1.000PuO2+2 + 1.000Ox-2 + 3.000H2O - log_k -10.000 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1E+1 0E+0 0E+0 0E+0 0E+0 - -PuO2(coll,hyd) -PuO2 = 1.000Pu+4 - 4.000H+ + 2.000H2O - log_k 0.200 #07NEC/ALT3 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2E-1 0E+0 0E+0 0E+0 0E+0 - -PuO2(s) -PuO2 = 1.000Pu+4 - 4.000H+ + 2.000H2O - log_k -8.030 - delta_h -55.755 #kJ/mol - # Enthalpy of formation: -1055.8 #kJ/mol #01LEM/FUG - -analytic -1.77978E+1 0E+0 2.91228E+3 0E+0 0E+0 +PuO2(Ox):3H2O = PuO2+2 + Ox-2 + 3 H2O + log_k -10 #05HUM/AND + -analytic -10E+0 00E+0 00E+0 00E+0 00E+0 PuO2:2H2O(am) -PuO2:2H2O = 1.000Pu+4 - 4.000H+ + 4.000H2O - log_k -2.370 #03GUI/FAN - delta_h -58.548 #kJ/mol - # Enthalpy of formation: -1624.667 #kJ/mol - -analytic -1.26272E+1 0E+0 3.05817E+3 0E+0 0E+0 +PuO2:2H2O = Pu+4 - 4 H+ + 4 H2O + log_k -2.33 #03GUI/FAN + delta_h -58.774 #kJ/mol +# Enthalpy of formation: -1624.439 kJ/mol + -analytic -12.62676E+0 00E+0 30.6998E+2 00E+0 00E+0 + +PuO2OH(am) +PuO2OH = PuO2+ - H+ + H2O + log_k 5 #01LEM/FUG + delta_h -36.164 #kJ/mol +# Enthalpy of formation: -1159.793 kJ/mol + -analytic -13.35661E-1 00E+0 18.88977E+2 00E+0 00E+0 Pyrite -FeS2 = 1.000Fe+2 + 2.000HS- - 1.000H2O + 0.500O2 - log_k -58.780 - delta_h 324.813 #kJ/mol - # Enthalpy of formation: -167.65 #kJ/mol #76RAU in 04CHI - -analytic -1.87529E+0 0E+0 -1.69661E+4 0E+0 0E+0 +FeS2 = Fe+2 - 2 H+ - 2 e- + 2 HS- + log_k -16.82 + delta_h 50.735 #kJ/mol +# Enthalpy of formation: -173.630 kJ/mol 20LEM/PAL + -analytic -79.3161E-1 00E+0 -26.50074E+2 00E+0 00E+0 + -Vm 23.94 Pyrochroite -Mn(OH)2 = 1.000Mn+2 - 2.000H+ + 2.000H2O - log_k 15.300 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.53E+1 0E+0 0E+0 0E+0 0E+0 +Mn(OH)2 = Mn+2 - 2 H+ + 2 H2O + log_k 15.3 #96FAL/REA + -analytic 15.3E+0 00E+0 00E+0 00E+0 00E+0 Pyromorphite -Pb5Cl(PO4)3 = 5.000Pb+2 - 6.000H+ + 1.000Cl- + 3.000H2(PO4)- - log_k -25.750 #74NRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.575E+1 0E+0 0E+0 0E+0 0E+0 +Pb5Cl(PO4)3 = 5 Pb+2 - 6 H+ + Cl- + 3 H2(PO4)- + log_k -25.75 #74NRI + -analytic -25.75E+0 00E+0 00E+0 00E+0 00E+0 Pyromorphite-Br -Pb5Br(PO4)3 = 5.000Pb+2 - 6.000H+ + 1.000Br- + 3.000H2(PO4)- - log_k -19.450 #74NRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.945E+1 0E+0 0E+0 0E+0 0E+0 +Pb5Br(PO4)3 = 5 Pb+2 - 6 H+ + Br- + 3 H2(PO4)- + log_k -19.45 #74NRI + -analytic -19.45E+0 00E+0 00E+0 00E+0 00E+0 Pyromorphite-F -Pb5F(PO4)3 = 5.000Pb+2 - 6.000H+ + 1.000F- + 3.000H2(PO4)- - log_k -13.100 #74NRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.31E+1 0E+0 0E+0 0E+0 0E+0 +Pb5F(PO4)3 = 5 Pb+2 - 6 H+ + F- + 3 H2(PO4)- + log_k -13.1 #74NRI + -analytic -13.1E+0 00E+0 00E+0 00E+0 00E+0 Pyromorphite-OH -Pb5(OH)(PO4)3 = 5.000Pb+2 - 7.000H+ + 3.000H2(PO4)- + 1.000H2O - log_k -4.150 #74NRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.15E+0 0E+0 0E+0 0E+0 0E+0 +Pb5(OH)(PO4)3 = 5 Pb+2 - 7 H+ + 3 H2(PO4)- + H2O + log_k -4.15 #74NRI + -analytic -41.5E-1 00E+0 00E+0 00E+0 00E+0 Pyrophyllite -Al2Si4O10(OH)2 = 2.000Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O - log_k -0.420 - delta_h -138.256 #kJ/mol - # Enthalpy of formation: -5640 #kJ/mol #95ROB/HEM - -analytic -2.46414E+1 0E+0 7.2216E+3 0E+0 0E+0 +Al2Si4O10(OH)2 = 2 Al+3 - 6 H+ + 4 H4(SiO4) - 4 H2O + log_k -0.44 + delta_h -138.256 #kJ/mol +# Enthalpy of formation: -5640.000 kJ/mol 95ROB/HEM + -analytic -24.66141E+0 00E+0 72.21614E+2 00E+0 00E+0 + -Vm 128.1 Pyrrhotite -Fe0.87S = 0.870Fe+2 - 0.740H+ + 1.000HS- - 0.130H2O + 0.065O2 - log_k -11.179 - delta_h 38.819 #kJ/mol - # Enthalpy of formation: -97.5 #kJ/mol #95ROB/HEM - -analytic -4.37788E+0 0E+0 -2.02766E+3 0E+0 0E+0 +Fe0.87S = 0.87 Fe+2 - H+ - 0.26 e- + HS- + log_k -5.32 + delta_h 0.673 #kJ/mol +# Enthalpy of formation: -95.530 kJ/mol 20LEM/PAL + -analytic -52.02095E-1 00E+0 -35.15324E+0 00E+0 00E+0 + -Vm 18.2 Quartz -SiO2 = 1.000H4(SiO4) - 2.000H2O - log_k -3.740 - delta_h 21.166 #kJ/mol - # Enthalpy of formation: -910.7 #kJ/mol #82RIC/BOT - -analytic -3.18814E-2 0E+0 -1.10558E+3 0E+0 0E+0 +SiO2 = H4(SiO4) - 2 H2O + log_k -3.74 + delta_h 21.166 #kJ/mol +# Enthalpy of formation: -910.700 kJ/mol 82RIC/BOT + -analytic -31.87597E-3 00E+0 -11.05577E+2 00E+0 00E+0 + -Vm 22.69 Ra(CO3)(s) -Ra(CO3) = 1.000Ra+2 + 1.000CO3-2 - log_k -8.300 #85LAN/RIE - delta_h 13.390 #kJ/mol - # Enthalpy of formation: -1216.646 #kJ/mol - -analytic -5.95418E+0 0E+0 -6.99407E+2 0E+0 0E+0 +Ra(CO3) = Ra+2 + CO3-2 + log_k -8.3 #85LAN/RIE; Uncertainty estimated by analogy with Sr(CO3)(s). + delta_h 13.64 #kJ/mol +# Enthalpy of formation: -1216.896 kJ/mol + -analytic -59.10375E-1 00E+0 -71.24668E+1 00E+0 00E+0 + +Ra(cr) +Ra = Ra+2 + 2 e- + log_k 98.44 + delta_h -528.025 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 82WAG/EVA + -analytic 59.33991E-1 00E+0 27.58067E+3 00E+0 00E+0 Ra(NO3)2(s) -Ra(NO3)2 = 1.000Ra+2 + 2.000NO3- - log_k -2.210 - delta_h 49.980 #kJ/mol - # Enthalpy of formation: -991.706 #kJ/mol - -analytic 6.54611E+0 0E+0 -2.61063E+3 0E+0 0E+0 +Ra(NO3)2 = Ra+2 + 2 NO3- + log_k -2.21 + delta_h 49.981 #kJ/mol +# Enthalpy of formation: -991.706 kJ/mol + -analytic 65.46295E-1 00E+0 -26.10689E+2 00E+0 00E+0 Ra(OH)2(s) -Ra(OH)2 = - 2.000H+ + 1.000Ra+2 + 2.000H2O - log_k 30.990 - delta_h -149.763 #kJ/mol - # Enthalpy of formation: -949.923 #kJ/mol - -analytic 4.75269E+0 0E+0 7.82265E+3 0E+0 0E+0 +Ra(OH)2 = -2 H+ + Ra+2 + 2 H2O + log_k 30.99 + delta_h -149.762 #kJ/mol +# Enthalpy of formation: -949.923 kJ/mol + -analytic 47.52824E-1 00E+0 78.22614E+2 00E+0 00E+0 Ra(SO4)(s) -Ra(SO4) = 1.000Ra+2 + 1.000SO4-2 - log_k -10.260 #99SCH, 85LAN/RIE - delta_h 38.910 #kJ/mol - # Enthalpy of formation: -1476.275 #kJ/mol - -analytic -3.44327E+0 0E+0 -2.03241E+3 0E+0 0E+0 - -Ra(cr) -Ra = 1.000Ra+2 + 1.000H2O - 2.000H+ - 0.500O2 - log_k 141.430 - delta_h -807.788 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #82WAG/EVA - -analytic -8.81751E-2 0E+0 4.21936E+4 0E+0 0E+0 +Ra(SO4) = Ra+2 + SO4-2 + log_k -10.26 #99SCH, 85LAN/RIE + delta_h 39.014 #kJ/mol +# Enthalpy of formation: -1476.379 kJ/mol + -analytic -34.25041E-1 00E+0 -20.37843E+2 00E+0 00E+0 RaCl2:2H2O(s) -RaCl2:2H2O = 1.000Ra+2 + 2.000Cl- + 2.000H2O - log_k -0.730 - delta_h 32.220 #kJ/mol - # Enthalpy of formation: -1466.065 #kJ/mol - -analytic 4.91469E+0 0E+0 -1.68297E+3 0E+0 0E+0 - -Rb(s) -Rb = 1.000Rb+ + 0.500H2O - 1.000H+ - 0.250O2 - log_k 71.255 - delta_h -391.002 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #92GRE/FUG - -analytic 2.75458E+0 0E+0 2.04234E+4 0E+0 0E+0 +RaCl2:2H2O = Ra+2 + 2 Cl- + 2 H2O + log_k -0.73 + delta_h 32.221 #kJ/mol +# Enthalpy of formation: -1466.065 kJ/mol + -analytic 49.14877E-1 00E+0 -16.8302E+2 00E+0 00E+0 + +Rb(cr) +Rb = e- + Rb+ + log_k 49.76 + delta_h -251.12 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 92GRE/FUG + -analytic 57.65664E-1 00E+0 13.11691E+3 00E+0 00E+0 Rb2MoO4(s) -Rb2MoO4 = 1.000MoO4-2 + 2.000Rb+ - log_k 3.100 - delta_h -5.391 #kJ/mol - # Enthalpy of formation: -1493.849 #kJ/mol - -analytic 2.15554E+0 0E+0 2.81591E+2 0E+0 0E+0 +Rb2MoO4 = MoO4-2 + 2 Rb+ + log_k 3.1 + delta_h -5.315 #kJ/mol +# Enthalpy of formation: -1493.925 kJ/mol + -analytic 21.68852E-1 00E+0 27.76218E+1 00E+0 00E+0 Realgar -AsS = 4.000H+ + 1.000HS- + 1.000AsO4-3 - 2.500H2O - 0.750O2 - log_k -2.575 - delta_h -109.359 #kJ/mol - # Enthalpy of formation: -71.406 #kJ/mol - -analytic -2.17338E+1 0E+0 5.71218E+3 0E+0 0E+0 +AsS = 7 H+ + 3 e- + HS- + AsO4-3 - 4 H2O + log_k -67.06 + delta_h 310.285 #kJ/mol +# Enthalpy of formation: -71.406 kJ/mol + -analytic -12.7004E+0 00E+0 -16.20731E+3 00E+0 00E+0 Rhodochrosite -Mn(CO3) = 1.000Mn+2 + 1.000CO3-2 - log_k -11.130 #92PEA/BER - delta_h -5.899 #kJ/mol - # Enthalpy of formation: -890.081 #kJ/mol - -analytic -1.21635E+1 0E+0 3.08126E+2 0E+0 0E+0 +Mn(CO3) = Mn+2 + CO3-2 + log_k -11.13 #92PEA/BER + delta_h -5.899 #kJ/mol 92PEA/BER +# Enthalpy of formation: -890.131 kJ/mol + -analytic -12.16346E+0 00E+0 30.81262E+1 00E+0 00E+0 Rhodochrosite(syn) -Mn(CO3) = 1.000Mn+2 + 1.000CO3-2 - log_k -10.520 - delta_h -6.792 #kJ/mol - # Enthalpy of formation: -889.188 #kJ/mol #92JOH - -analytic -1.17099E+1 0E+0 3.5477E+2 0E+0 0E+0 +Mn(CO3) = Mn+2 + CO3-2 + log_k -10.49 + delta_h -6.842 #kJ/mol +# Enthalpy of formation: -889.188 kJ/mol 92JOH + -analytic -11.68867E+0 00E+0 35.73825E+1 00E+0 00E+0 Ripidolite_Cca-2 -(Mg2.964Fe1.712Fe0.215Al1.116Ca0.011)(Si2.633Al1.367)O10(OH)8 = 0.011Ca+2 + 2.964Mg+2 + 0.215Fe+3 + 1.712Fe+2 + 2.483Al+3 - 17.468H+ + 2.633H4(SiO4) + 7.468H2O - log_k 61.350 - delta_h -633.385 #kJ/mol - # Enthalpy of formation: -8240.14 #kJ/mol #13BLA/GAI2 - -analytic -4.96141E+1 0E+0 3.3084E+4 0E+0 0E+0 +(Mg2.964Fe1.712Fe0.215Al1.116Ca0.011)(Si2.633Al1.367)O10(OH)8 = 0.011 Ca+2 + 2.964 Mg+2 + 0.215 Fe+3 + 1.712 Fe+2 + 2.483 Al+3 - 17.468 H+ + 2.633 H4(SiO4) + 7.468 H2O + log_k 61.35 + delta_h -634.118 #kJ/mol +# Enthalpy of formation: -8240.140 kJ/mol 13BLA/GAI2 + -analytic -49.7427E+0 00E+0 33.12229E+3 00E+0 00E+0 + -Vm 211.83 Romarchite -SnO = 1.000Sn+2 - 2.000H+ + 1.000H2O - log_k 1.590 - delta_h -11.207 #kJ/mol - # Enthalpy of formation: -284.24 #kJ/mol #12GAM/GAJ - -analytic -3.73379E-1 0E+0 5.85382E+2 0E+0 0E+0 +SnO = Sn+2 - 2 H+ + H2O + log_k 1.59 + delta_h -11.207 #kJ/mol +# Enthalpy of formation: -284.240 kJ/mol 12GAM/GAJ + -analytic -37.33821E-2 00E+0 58.53824E+1 00E+0 00E+0 Rutherfordine -(UO2)(CO3) = 1.000UO2+2 + 1.000CO3-2 - log_k -14.760 #03GUI/FAN - delta_h -2.929 #kJ/mol - # Enthalpy of formation: -1691.301 #kJ/mol - -analytic -1.52731E+1 0E+0 1.52992E+2 0E+0 0E+0 +(UO2)(CO3) = UO2+2 + CO3-2 + log_k -14.76 #03GUI/FAN + delta_h -2.929 #kJ/mol +# Enthalpy of formation: -1691.302 kJ/mol + -analytic -15.27314E+0 00E+0 15.29923E+1 00E+0 00E+0 S(cr) -S = 1.000H+ + 1.000HS- - 1.000H2O + 0.500O2 - log_k -45.130 - delta_h 263.463 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #89COX/WAG - -analytic 1.02667E+0 0E+0 -1.37616E+4 0E+0 0E+0 +S = - H+ - 2 e- + HS- + log_k -2.14 + delta_h -16.3 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic -49.95637E-1 00E+0 85.14083E+1 00E+0 00E+0 Sacchite -MnCl2 = 1.000Mn+2 + 2.000Cl- - log_k 8.770 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.77E+0 0E+0 0E+0 0E+0 0E+0 +MnCl2 = Mn+2 + 2 Cl- + log_k 8.77 #96FAL/REA + -analytic 87.7E-1 00E+0 00E+0 00E+0 00E+0 Sanidine -KAlSi3O8 = 1.000K+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 4.000H2O - log_k 0.580 - delta_h -65.073 #kJ/mol - # Enthalpy of formation: -3965.73 #kJ/mol #99ARN/STE - -analytic -1.08203E+1 0E+0 3.39899E+3 0E+0 0E+0 +KAlSi3O8 = K+ + Al+3 - 4 H+ + 3 H4(SiO4) - 4 H2O + log_k 0.58 + delta_h -65.072 #kJ/mol +# Enthalpy of formation: -3965.730 kJ/mol 99ARN/STE + -analytic -10.82013E+0 00E+0 33.98947E+2 00E+0 00E+0 + +Saponite_SapCa +(Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2 = 0.038 Ca+2 + 2.949 Mg+2 + 0.021 K+ + 0.394 Na+ + 0.034 Fe+3 + 0.021 Fe+2 + 0.397 Al+3 - 7.724 H+ + 3.569 H4(SiO4) - 2.276 H2O + log_k 31.45 + delta_h -285.541 #kJ/mol +# Enthalpy of formation: -5994.060 kJ/mol 13GAI/BLA + -analytic -18.57464E+0 00E+0 14.91485E+3 00E+0 00E+0 + -Vm 141.66 + +Saponite_SapCa(4.151H2O) +(Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2:4.151H2O = 0.038 Ca+2 + 2.949 Mg+2 + 0.021 K+ + 0.394 Na+ + 0.034 Fe+3 + 0.021 Fe+2 + 0.397 Al+3 - 7.724 H+ + 3.569 H4(SiO4) + 1.875 H2O + log_k 28.27 + delta_h -255.631 #kJ/mol +# Enthalpy of formation: -7210.450 kJ/mol 09GAI + -analytic -16.51463E+0 00E+0 13.35254E+3 00E+0 00E+0 + -Vm 216.67 Saponite-Ca -Ca0.17Mg3Al0.34Si3.66O10(OH)2 = 0.170Ca+2 + 3.000Mg+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O - log_k 29.340 - delta_h -271.305 #kJ/mol - # Enthalpy of formation: -5998.44 #kJ/mol #15BLA/VIE - -analytic -1.81905E+1 0E+0 1.41712E+4 0E+0 0E+0 +Ca0.17Mg3Al0.34Si3.66O10(OH)2 = 0.17 Ca+2 + 3 Mg+2 + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O + log_k 29.34 + delta_h -271.305 #kJ/mol +# Enthalpy of formation: -5998.440 kJ/mol 15BLA/VIE + -analytic -18.1906E+0 00E+0 14.17125E+3 00E+0 00E+0 + -Vm 142.57 Saponite-FeCa -Ca0.17Mg2FeAl0.34Si3.66O10(OH)2 = 0.170Ca+2 + 2.000Mg+2 + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O - log_k 26.550 - delta_h -259.175 #kJ/mol - # Enthalpy of formation: -5633.57 #kJ/mol #15BLA/VIE - -analytic -1.88554E+1 0E+0 1.35376E+4 0E+0 0E+0 +Ca0.17Mg2FeAl0.34Si3.66O10(OH)2 = 0.17 Ca+2 + 2 Mg+2 + Fe+2 + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O + log_k 24.48 + delta_h -259.47 #kJ/mol +# Enthalpy of formation: -5633.570 kJ/mol 15BLA/VIE + -analytic -20.97719E+0 00E+0 13.55306E+3 00E+0 00E+0 + -Vm 145.15 Saponite-FeK -K0.34Mg2FeAl0.34Si3.66O10(OH)2 = 2.000Mg+2 + 0.340K+ + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O - log_k 25.380 - delta_h -240.632 #kJ/mol - # Enthalpy of formation: -5645.53 #kJ/mol #15BLA/VIE - -analytic -1.67769E+1 0E+0 1.25691E+4 0E+0 0E+0 +K0.34Mg2FeAl0.34Si3.66O10(OH)2 = 2 Mg+2 + 0.34 K+ + Fe+2 + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O + log_k 25.4 + delta_h -240.927 #kJ/mol +# Enthalpy of formation: -5645.530 kJ/mol 15BLA/VIE + -analytic -16.8086E+0 00E+0 12.58449E+3 00E+0 00E+0 + -Vm 144.27 Saponite-FeMg -Mg0.17Mg2FeAl0.34Si3.66O10(OH)2 = 2.170Mg+2 + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O - log_k 26.000 - delta_h -260.345 #kJ/mol - # Enthalpy of formation: -5619.48 #kJ/mol #15BLA/VIE - -analytic -1.96104E+1 0E+0 1.35987E+4 0E+0 0E+0 +Mg0.17Mg2FeAl0.34Si3.66O10(OH)2 = 2.17 Mg+2 + Fe+2 + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O + log_k 26.03 + delta_h -260.64 #kJ/mol +# Enthalpy of formation: -5619.480 kJ/mol 15BLA/VIE + -analytic -19.63217E+0 00E+0 13.61418E+3 00E+0 00E+0 + -Vm 141.16 Saponite-FeNa -Na0.34Mg2FeAl0.34Si3.66O10(OH)2 = 2.000Mg+2 + 0.340Na+ + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O - log_k 25.700 - delta_h -248.260 #kJ/mol - # Enthalpy of formation: -5633.89 #kJ/mol #15BLA/VIE - -analytic -1.77932E+1 0E+0 1.29675E+4 0E+0 0E+0 +Na0.34Mg2FeAl0.34Si3.66O10(OH)2 = 2 Mg+2 + 0.34 Na+ + Fe+2 + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O + log_k 25.73 + delta_h -248.555 #kJ/mol +# Enthalpy of formation: -5633.890 kJ/mol 15BLA/VIE + -analytic -17.81497E+0 00E+0 12.98293E+3 00E+0 00E+0 + -Vm 143.54 Saponite-K -K0.34Mg3Al0.34Si3.66O10(OH)2 = 3.000Mg+2 + 0.340K+ + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O - log_k 28.170 - delta_h -252.772 #kJ/mol - # Enthalpy of formation: -6010.39 #kJ/mol #15BLA/VIE - -analytic -1.61137E+1 0E+0 1.32032E+4 0E+0 0E+0 +K0.34Mg3Al0.34Si3.66O10(OH)2 = 3 Mg+2 + 0.34 K+ + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O + log_k 28.17 + delta_h -252.772 #kJ/mol +# Enthalpy of formation: -6010.390 kJ/mol 15BLA/VIE + -analytic -16.11375E+0 00E+0 13.2032E+3 00E+0 00E+0 + -Vm 141.69 Saponite-Mg -Mg0.17Mg3Al0.34Si3.66O10(OH)2 = 3.170Mg+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O - log_k 28.790 - delta_h -272.485 #kJ/mol - # Enthalpy of formation: -5984.34 #kJ/mol #15BLA/VIE - -analytic -1.89473E+1 0E+0 1.42329E+4 0E+0 0E+0 +Mg0.17Mg3Al0.34Si3.66O10(OH)2 = 3.17 Mg+2 + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O + log_k 28.79 + delta_h -272.485 #kJ/mol +# Enthalpy of formation: -5984.340 kJ/mol 15BLA/VIE + -analytic -18.94732E+0 00E+0 14.23288E+3 00E+0 00E+0 + -Vm 138.58 Saponite-Na -Na0.34Mg3Al0.34Si3.66O10(OH)2 = 3.000Mg+2 + 0.340Na+ + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O - log_k 28.670 - delta_h -261.390 #kJ/mol - # Enthalpy of formation: -5997.76 #kJ/mol #15BLA/VIE - -analytic -1.71235E+1 0E+0 1.36533E+4 0E+0 0E+0 - -Saponite_SapCa -(Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2 = 0.038Ca+2 + 2.949Mg+2 + 0.021K+ + 0.394Na+ + 0.034Fe+3 + 0.021Fe+2 + 0.397Al+3 - 7.724H+ + 3.569H4(SiO4) - 2.276H2O - log_k 31.470 - delta_h -285.499 #kJ/mol - # Enthalpy of formation: -5994.06 #kJ/mol #13GAI/BLA - -analytic -1.85472E+1 0E+0 1.49126E+4 0E+0 0E+0 - -Saponite_SapCa(4.151H2O) -(Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2:4.151H2O = 0.038Ca+2 + 2.949Mg+2 + 0.021K+ + 0.394Na+ + 0.034Fe+3 + 0.021Fe+2 + 0.397Al+3 - 7.724H+ + 3.569H4(SiO4) + 1.875H2O - log_k 28.300 - delta_h -255.590 #kJ/mol - # Enthalpy of formation: -7210.45 #kJ/mol #09GAI - -analytic -1.64774E+1 0E+0 1.33504E+4 0E+0 0E+0 +Na0.34Mg3Al0.34Si3.66O10(OH)2 = 3 Mg+2 + 0.34 Na+ + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O + log_k 28.67 + delta_h -261.39 #kJ/mol +# Enthalpy of formation: -5997.760 kJ/mol 15BLA/VIE + -analytic -17.12356E+0 00E+0 13.65335E+3 00E+0 00E+0 + -Vm 140.96 Sb(cr) -Sb = 1.000Sb(OH)3 - 1.500H2O - 0.750O2 - log_k 52.815 - delta_h -336.045 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol - -analytic -6.05738E+0 0E+0 1.75528E+4 0E+0 0E+0 +Sb = 3 H+ + 3 e- + Sb(OH)3 - 3 H2O + log_k -11.67 + delta_h 83.597 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 98KON/VAN + -analytic 29.75566E-1 00E+0 -43.66575E+2 00E+0 00E+0 Sb2O5(s) -Sb2O5 = 2.000Sb(OH)5 - 5.000H2O - log_k -7.400 #48TOU/MOU in 76BAE/MES - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -7.4E+0 0E+0 0E+0 0E+0 0E+0 - -Schoepite -UO3:2H2O = 1.000UO2+2 - 2.000H+ + 3.000H2O - log_k 5.960 #91SAN/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.96E+0 0E+0 0E+0 0E+0 0E+0 - -Schoepite(des) -UO3:0.9H2O = 1.000UO2+2 - 2.000H+ + 1.900H2O - log_k 5.000 - delta_h -55.777 #kJ/mol - # Enthalpy of formation: -1506.3 #kJ/mol #92GRE/FUG - -analytic -4.7717E+0 0E+0 2.91343E+3 0E+0 0E+0 +Sb2O5 = 2 Sb(OH)5 - 5 H2O + log_k -7.4 #48TOU/MOU in 76BAE/MES + -analytic -74E-1 00E+0 00E+0 00E+0 00E+0 + +Schwertmannite(cr) +Fe8O8(OH)6SO4 = 8 Fe+3 - 22 H+ + SO4-2 + 14 H2O + log_k 8.72 + -analytic 87.2E-1 00E+0 00E+0 00E+0 00E+0 Scolecite -CaAl2Si3O10:3H2O = 1.000Ca+2 + 2.000Al+3 - 8.000H+ + 3.000H4(SiO4) + 1.000H2O - log_k 16.650 - delta_h -240.212 #kJ/mol - # Enthalpy of formation: -6049 #kJ/mol #83JOH/FLO - -analytic -2.54333E+1 0E+0 1.25471E+4 0E+0 0E+0 +CaAl2Si3O10:3H2O = Ca+2 + 2 Al+3 - 8 H+ + 3 H4(SiO4) + H2O + log_k 16.63 + delta_h -240.212 #kJ/mol +# Enthalpy of formation: -6049.000 kJ/mol 83JOH/FLO + -analytic -25.45334E+0 00E+0 12.54715E+3 00E+0 00E+0 + -Vm 172.3 Se(s) -Se = 1.000H+ + 1.000HSe- - 1.000H2O + 0.500O2 - log_k -50.610 - delta_h 294.063 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #92GRE/FUG - -analytic 9.07551E-1 0E+0 -1.536E+4 0E+0 0E+0 +Se = - H+ - 2 e- + HSe- + log_k -7.62 + delta_h 14.3 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 92GRE/FUG + -analytic -51.14748E-1 00E+0 -74.6941E+1 00E+0 00E+0 Se3U(cr) -Se3U = 1.000UO2+2 + 1.000H+ + 3.000HSe- - 2.000H2O - log_k -18.270 - delta_h 47.560 #kJ/mol - # Enthalpy of formation: -452 #kJ/mol #92GRE/FUG - -analytic -9.93786E+0 0E+0 -2.48423E+3 0E+0 0E+0 +Se3U = UO2+2 + H+ + 3 HSe- - 2 H2O + log_k -18.27 + delta_h 47.56 #kJ/mol +# Enthalpy of formation: -452.000 kJ/mol 92GRE/FUG + -analytic -99.37846E-1 00E+0 -24.84232E+2 00E+0 00E+0 SeO3(cr) -SeO3 = 2.000H+ + 1.000SeO4-2 - 1.000H2O - log_k 20.360 - delta_h -154.570 #kJ/mol - # Enthalpy of formation: -163.1 #kJ/mol #05OLI/NOL - -analytic -6.71946E+0 0E+0 8.07374E+3 0E+0 0E+0 +SeO3 = 2 H+ + SeO4-2 - H2O + log_k 20.36 + delta_h -154.57 #kJ/mol +# Enthalpy of formation: -163.100 kJ/mol 05OLI/NOL + -analytic -67.19502E-1 00E+0 80.73753E+2 00E+0 00E+0 SeU(cr) -SeU = 1.000U+4 - 3.000H+ + 1.000HSe- + 1.000H2O - 0.500O2 - log_k 80.330 - delta_h -584.663 #kJ/mol - # Enthalpy of formation: -272 #kJ/mol #05OLI/NOL - -analytic -2.20984E+1 0E+0 3.0539E+4 0E+0 0E+0 +SeU = U+4 - H+ + 2 e- + HSe- + log_k 37.34 + delta_h -304.9 #kJ/mol +# Enthalpy of formation: -272.000 kJ/mol 05OLI/NOL + -analytic -16.07619E+0 00E+0 15.92604E+3 00E+0 00E+0 Si(cr) -Si = 1.000H4(SiO4) - 2.000H2O - 1.000O2 - log_k 149.170 - delta_h -877.400 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #89COX/WAG - -analytic -4.54366E+0 0E+0 4.58297E+4 0E+0 0E+0 - -SiO2(am) -SiO2 = 1.000H4(SiO4) - 2.000H2O - log_k -2.710 #00GUN/ARN - delta_h 13.522 #kJ/mol - # Enthalpy of formation: -903.056 #kJ/mol - -analytic -3.41051E-1 0E+0 -7.06302E+2 0E+0 0E+0 +Si = 4 H+ + 4 e- + H4(SiO4) - 4 H2O + log_k 63.19 + delta_h -317.874 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic 75.00866E-1 00E+0 16.60372E+3 00E+0 00E+0 Siderite -Fe(CO3) = 1.000Fe+2 + 1.000CO3-2 - log_k -10.800 #92BRU/WER - delta_h -12.012 #kJ/mol - # Enthalpy of formation: -753.218 #kJ/mol - -analytic -1.29044E+1 0E+0 6.2743E+2 0E+0 0E+0 +Fe(CO3) = Fe+2 + CO3-2 + log_k -10.68 + delta_h -12.916 #kJ/mol +# Enthalpy of formation: -752.609 kJ/mol 13LEM/BER + -analytic -12.94279E+0 00E+0 67.46497E+1 00E+0 00E+0 + -Vm 29.38 Siderophyllite -KFe2Al3Si2O10(OH)2 = 1.000K+ + 2.000Fe+2 + 3.000Al+3 - 14.000H+ + 2.000H4(SiO4) + 4.000H2O - log_k 40.570 - delta_h -484.778 #kJ/mol - # Enthalpy of formation: -5628.27 #kJ/mol #90HOL/POW - -analytic -4.43593E+1 0E+0 2.53217E+4 0E+0 0E+0 +KFe2Al3Si2O10(OH)2 = K+ + 2 Fe+2 + 3 Al+3 - 14 H+ + 2 H4(SiO4) + 4 H2O + log_k 40.6 + delta_h -485.368 #kJ/mol +# Enthalpy of formation: -5628.270 kJ/mol 90HOL/POW + -analytic -44.43282E+0 00E+0 25.35254E+3 00E+0 00E+0 + -Vm 150.63 + +SiO2(am) +SiO2 = H4(SiO4) - 2 H2O + log_k -2.71 #00GUN/ARN + delta_h 13.522 #kJ/mol +# Enthalpy of formation: -903.057 kJ/mol + -analytic -34.10473E-2 00E+0 -70.63033E+1 00E+0 00E+0 + -Vm 29 + +Sm(cr) +Sm = Sm+3 + 3 e- + log_k 116.62 + delta_h -691.198 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 79ROB/HEM + -analytic -44.72692E-1 00E+0 36.10379E+3 00E+0 00E+0 Sm(OH)3(am) -Sm(OH)3 = 1.000Sm+3 - 3.000H+ + 3.000H2O - log_k 17.850 #98DIA/RAG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.785E+1 0E+0 0E+0 0E+0 0E+0 +Sm(OH)3 = Sm+3 - 3 H+ + 3 H2O + log_k 17.85 #98DIA/RAG + -analytic 17.85E+0 00E+0 00E+0 00E+0 00E+0 Sm(OH)3(s) -Sm(OH)3 = 1.000Sm+3 - 3.000H+ + 3.000H2O - log_k 16.130 #98DIA/RAG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.613E+1 0E+0 0E+0 0E+0 0E+0 - -Sm(cr) -Sm = 1.000Sm+3 + 1.500H2O - 3.000H+ - 0.750O2 - log_k 181.105 - delta_h -1110.844 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #79ROB/HEM - -analytic -1.35061E+1 0E+0 5.80233E+4 0E+0 0E+0 +Sm(OH)3 = Sm+3 - 3 H+ + 3 H2O + log_k 16.13 #98DIA/RAG + -analytic 16.13E+0 00E+0 00E+0 00E+0 00E+0 Sm2(CO3)3(s) -Sm2(CO3)3 = 2.000Sm+3 + 3.000CO3-2 - log_k -34.500 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.45E+1 0E+0 0E+0 0E+0 0E+0 +Sm2(CO3)3 = 2 Sm+3 + 3 CO3-2 + log_k -34.5 #95SPA/BRU + -analytic -34.5E+0 00E+0 00E+0 00E+0 00E+0 Sm2(SO4)3(s) -Sm2(SO4)3 = 2.000Sm+3 + 3.000SO4-2 - log_k -9.800 #95SPA/BRU - delta_h -211.318 #kJ/mol - # Enthalpy of formation: -3899.1 #kJ/mol #82WAG/EVA - -analytic -4.68213E+1 0E+0 1.10379E+4 0E+0 0E+0 +Sm2(SO4)3 = 2 Sm+3 + 3 SO4-2 + log_k -9.8 #95SPA/BRU + delta_h -211.316 #kJ/mol +# Enthalpy of formation: -3899.100 kJ/mol 82WAG/EVA + -analytic -46.82097E+0 00E+0 11.0378E+3 00E+0 00E+0 Sm2O3(s) -Sm2O3 = 2.000Sm+3 - 6.000H+ + 3.000H2O - log_k 43.110 - delta_h -355.039 #kJ/mol - # Enthalpy of formation: -1884.849 #kJ/mol - -analytic -1.90901E+1 0E+0 1.8545E+4 0E+0 0E+0 +Sm2O3 = 2 Sm+3 - 6 H+ + 3 H2O + log_k 43.11 + delta_h -355.036 #kJ/mol +# Enthalpy of formation: -1884.849 kJ/mol + -analytic -19.08964E+0 00E+0 18.54482E+3 00E+0 00E+0 SmCl3:6H2O(s) -SmCl3:6H2O = 1.000Sm+3 + 3.000Cl- + 6.000H2O - log_k 4.800 #96FAL/REA - delta_h -38.311 #kJ/mol - # Enthalpy of formation: -2869.108 #kJ/mol - -analytic -1.91179E+0 0E+0 2.00112E+3 0E+0 0E+0 +SmCl3:6H2O = Sm+3 + 3 Cl- + 6 H2O + log_k 4.8 #96FAL/REA + delta_h -38.319 #kJ/mol +# Enthalpy of formation: -2869.096 kJ/mol + -analytic -19.13201E-1 00E+0 20.01541E+2 00E+0 00E+0 + +SmCO3OH(cr) +SmOHCO3 = Sm+3 - H+ + CO3-2 + H2O + log_k -10.23 + delta_h -38.858 #kJ/mol +# Enthalpy of formation: -1613.400 kJ/mol 05ROR/FUG + -analytic -17.03763E+0 00E+0 20.29695E+2 00E+0 00E+0 + +SmCO3OH:0.5H2O(s) +SmOHCO3:0.5H2O = Sm+3 - H+ + CO3-2 + 1.5 H2O + log_k -7.31 + delta_h -51.073 #kJ/mol +# Enthalpy of formation: -1744.100 kJ/mol 05ROR/FUG + -analytic -16.25761E+0 00E+0 26.67729E+2 00E+0 00E+0 + +Smectite MX80 +Na0.409K0.024Ca0.009(Si3.738Al0.262)(Al1.598Mg0.214Fe0.173Fe0.035)O10(OH)2 = 0.009 Ca+2 + 0.214 Mg+2 + 0.024 K+ + 0.409 Na+ + 0.173 Fe+3 + 0.035 Fe+2 + 1.86 Al+3 - 7.048 H+ + 3.738 H4(SiO4) - 2.952 H2O + log_k 5.26 + delta_h -184.222 #kJ/mol +# Enthalpy of formation: -5656.370 kJ/mol 12GAI/BLA + -analytic -27.01431E+0 00E+0 96.22585E+2 00E+0 00E+0 + -Vm 134.92 + +Smectite_MX80(3.989H2O) +(Ca0.009Na0.409K0.024)(Si3.738Al0.262)(Al1.598Fe0.173Fe0.035Mg0.214)O10(OH)2:3.989H2O = 0.009 Ca+2 + 0.214 Mg+2 + 0.024 K+ + 0.409 Na+ + 0.173 Fe+3 + 0.035 Fe+2 + 1.86 Al+3 - 7.048 H+ + 3.738 H4(SiO4) + 1.037 H2O + log_k 1.75 + delta_h -157.438 #kJ/mol +# Enthalpy of formation: -6823.330 kJ/mol 12GAI/BLA + -analytic -25.83195E+0 00E+0 82.23559E+2 00E+0 00E+0 + -Vm 207 + +Smectite_MX80(5.189H2O) +(Ca0.009Na0.409K0.024)(Si3.738Al0.262)(Al1.598Fe0.173Fe0.035Mg0.214)O10(OH)2:5.189H2O = 0.009 Ca+2 + 0.214 Mg+2 + 0.024 K+ + 0.409 Na+ + 0.173 Fe+3 + 0.035 Fe+2 + 1.86 Al+3 - 7.048 H+ + 3.738 H4(SiO4) + 2.237 H2O + log_k 1.41 + delta_h -149.344 #kJ/mol +# Enthalpy of formation: -7174.420 kJ/mol 12GAI/BLA + -analytic -24.75395E+0 00E+0 78.0078E+2 00E+0 00E+0 + -Vm 228.69 SmF3:0.5H2O(s) -SmF3:0.5H2O = 1.000Sm+3 + 3.000F- + 0.500H2O - log_k -17.500 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.75E+1 0E+0 0E+0 0E+0 0E+0 - -SmOHCO3(cr) -SmOHCO3 = 1.000Sm+3 - 1.000H+ + 1.000CO3-2 + 1.000H2O - log_k -10.230 - delta_h -38.859 #kJ/mol - # Enthalpy of formation: -1613.4 #kJ/mol #05ROR/FUG - -analytic -1.70378E+1 0E+0 2.02974E+3 0E+0 0E+0 - -SmOHCO3:0.5H2O(cr) -SmOHCO3:0.5H2O = 1.000Sm+3 - 1.000H+ + 1.000CO3-2 + 1.500H2O - log_k -7.310 - delta_h -51.074 #kJ/mol - # Enthalpy of formation: -1744.1 #kJ/mol #05ROR/FUG - -analytic -1.62578E+1 0E+0 2.66778E+3 0E+0 0E+0 +SmF3:0.5H2O = Sm+3 + 3 F- + 0.5 H2O + log_k -17.5 #95SPA/BRU + -analytic -17.5E+0 00E+0 00E+0 00E+0 00E+0 SmPO4:H2O(am) -SmPO4:H2O = 1.000Sm+3 - 2.000H+ + 1.000H2(PO4)- + 1.000H2O - log_k -5.000 #05CET/WOO - delta_h -26.480 #kJ/mol - # Enthalpy of formation: -2253.149 #kJ/mol #05CET/WOO - -analytic -9.63909E+0 0E+0 1.38314E+3 0E+0 0E+0 +SmPO4:H2O = Sm+3 - 2 H+ + H2(PO4)- + H2O + log_k -5 #05CET/WOO + delta_h -26.479 #kJ/mol +# Enthalpy of formation: -2253.149 kJ/mol 05CET/WOO + -analytic -96.38922E-1 00E+0 13.83094E+2 00E+0 00E+0 SmPO4:H2O(cr) -SmPO4:H2O = 1.000Sm+3 - 2.000H+ + 1.000H2(PO4)- + 1.000H2O - log_k -6.670 #97LIU/BYR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.67E+0 0E+0 0E+0 0E+0 0E+0 - -SmectiteMX80 -Na0.409K0.024Ca0.009(Si3.738Al0.262)(Al1.598Mg0.214Fe0.173Fe0.035)O10(OH)2 = 0.009Ca+2 + 0.214Mg+2 + 0.024K+ + 0.409Na+ + 0.173Fe+3 + 1.860Al+3 + 3.738H4(SiO4) + 0.035Fe+2 - 2.952H2O - 7.048H+ - log_k 5.270 - delta_h -184.029 #kJ/mol - # Enthalpy of formation: -5656.37 #kJ/mol #12GAI/BLA - -analytic -2.69704E+1 0E+0 9.61249E+3 0E+0 0E+0 - -Smectite_MX80(3.989H2O) -(Ca0.009Na0.409K0.024)(Si3.738Al0.262)(Al1.598Fe0.173Fe0.035Mg0.214)O10(OH)2:3.989H2O = 0.009Ca+2 + 0.214Mg+2 + 0.024K+ + 0.409Na+ + 0.173Fe+3 + 0.035Fe+2 + 1.860Al+3 - 7.048H+ + 3.738H4(SiO4) + 1.037H2O - log_k 1.780 - delta_h -157.245 #kJ/mol - # Enthalpy of formation: -6823.33 #kJ/mol #12GAI/BLA - -analytic -2.57681E+1 0E+0 8.21347E+3 0E+0 0E+0 - -Smectite_MX80(5.189H2O) -(Ca0.009Na0.409K0.024)(Si3.738Al0.262)(Al1.598Fe0.173Fe0.035Mg0.214)O10(OH)2:5.189H2O = 0.009Ca+2 + 0.214Mg+2 + 0.024K+ + 0.409Na+ + 0.173Fe+3 + 0.035Fe+2 + 1.860Al+3 - 7.048H+ + 3.738H4(SiO4) + 2.237H2O - log_k 1.440 - delta_h -149.152 #kJ/mol - # Enthalpy of formation: -7174.42 #kJ/mol #12GAI/BLA - -analytic -2.46903E+1 0E+0 7.79074E+3 0E+0 0E+0 +SmPO4:H2O = Sm+3 - 2 H+ + H2(PO4)- + H2O + log_k -6.67 #97LIU/BYR + -analytic -66.7E-1 00E+0 00E+0 00E+0 00E+0 + +Sn(cr,alfa) +Sn = Sn+2 + 2 e- + log_k 4.82 + delta_h -7.637 #kJ/mol +# Enthalpy of formation: -1.980 kJ/mol 12GAM/GAJ + -analytic 34.82055E-1 00E+0 39.89083E+1 00E+0 00E+0 + +Sn(cr,beta) +Sn = Sn+2 + 2 e- + log_k 4.8 + delta_h -9.617 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic 31.15174E-1 00E+0 50.23309E+1 00E+0 00E+0 Sn(OH)4(s) -Sn(OH)4 = 1.000Sn+4 - 4.000H+ + 4.000H2O - log_k -1.280 #70BAR/KLI in 01SEB/POT - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.28E+0 0E+0 0E+0 0E+0 0E+0 +Sn(OH)4 = Sn+4 - 4 H+ + 4 H2O + log_k -1.28 #70BAR/KLI in 01SEB/POT; Uncertainty to cover available data. + -analytic -12.8E-1 00E+0 00E+0 00E+0 00E+0 Sn(OH)Cl(s) -Sn(OH)Cl = 1.000Sn+2 - 1.000H+ + 1.000Cl- + 1.000H2O - log_k -2.420 #30RAN/MUR recalculated in 99LOT/OCH - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.42E+0 0E+0 0E+0 0E+0 0E+0 - -Sn(cr)(alfa) -Sn = 1.000Sn+2 + 1.000H2O - 2.000H+ - 0.500O2 - log_k 47.810 - delta_h -287.400 #kJ/mol - # Enthalpy of formation: -1.98 #kJ/mol #12GAM/GAJ - -analytic -2.54024E+0 0E+0 1.50119E+4 0E+0 0E+0 - -Sn(cr)(beta) -Sn = 1.000Sn+2 + 1.000H2O - 2.000H+ - 0.500O2 - log_k 47.790 - delta_h -289.380 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #89COX/WAG - -analytic -2.90713E+0 0E+0 1.51153E+4 0E+0 0E+0 +Sn(OH)Cl = Sn+2 - H+ + Cl- + H2O + log_k -2.42 #30RAN/MUR recalculated in 99LOT/OCH + -analytic -24.2E-1 00E+0 00E+0 00E+0 00E+0 SnO2(am) -SnO2 = 1.000Sn+4 - 4.000H+ + 2.000H2O - log_k -14.770 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.477E+1 0E+0 0E+0 0E+0 0E+0 +SnO2 = Sn+4 - 4 H+ + 2 H2O + log_k -14.77 + -analytic -14.77E+0 00E+0 00E+0 00E+0 00E+0 SnSe(alfa) -SnSe = 1.000Sn+2 - 1.000H+ + 1.000HSe- - log_k -21.670 - delta_h 114.183 #kJ/mol - # Enthalpy of formation: -109.5 #kJ/mol #05OLI/NOL - -analytic -1.66603E+0 0E+0 -5.96418E+3 0E+0 0E+0 +SnSe = Sn+2 - H+ + HSe- + log_k -21.67 + delta_h 114.183 #kJ/mol +# Enthalpy of formation: -109.500 kJ/mol 05OLI/NOL + -analytic -16.65997E-1 00E+0 -59.64193E+2 00E+0 00E+0 SnSe2(s) -SnSe2 = 1.000Sn+2 + 2.000HSe- - 1.000H2O + 0.500O2 - log_k -73.780 - delta_h 413.646 #kJ/mol - # Enthalpy of formation: -114.9 #kJ/mol #05OLI/NOL - -analytic -1.31244E+0 0E+0 -2.16062E+4 0E+0 0E+0 - -Soddyite(synt1) -(UO2)2SiO4:2H2O = 2.000UO2+2 - 4.000H+ + 1.000H4(SiO4) + 2.000H2O - log_k 3.900 #97PER/CAS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.9E+0 0E+0 0E+0 0E+0 0E+0 - -Soddyite(synt2) -(UO2)2SiO4:2H2O = 2.000UO2+2 - 4.000H+ + 1.000H4(SiO4) + 2.000H2O - log_k 6.430 #07GOR/MAZ - delta_h -25.454 #kJ/mol - # Enthalpy of formation: -4045.4 #kJ/mol #07GOR/MAZ - -analytic 1.97066E+0 0E+0 1.32955E+3 0E+0 0E+0 +SnSe2 = Sn+2 - 2 H+ - 2 e- + 2 HSe- + log_k -30.79 + delta_h 133.883 #kJ/mol +# Enthalpy of formation: -114.900 kJ/mol 05OLI/NOL + -analytic -73.34705E-1 00E+0 -69.93196E+2 00E+0 00E+0 + +Soddyite +(UO2)2SiO4:2H2O = 2 UO2+2 - 4 H+ + H4(SiO4) + 2 H2O + log_k 5.75 #20GRE/GAO + -analytic 57.5E-1 00E+0 00E+0 00E+0 00E+0 Sodium-compreignacite -Na2(UO2)6O4(OH)6:7H2O = 2.000Na+ + 6.000UO2+2 - 14.000H+ + 17.000H2O - log_k 39.400 #08GOR/FEI - delta_h -517.390 #kJ/mol - # Enthalpy of formation: -10936.4 #kJ/mol #06KUB/HEL - -analytic -5.12427E+1 0E+0 2.70251E+4 0E+0 0E+0 +Na2(UO2)6O4(OH)6:7H2O = 2 Na+ + 6 UO2+2 - 14 H+ + 17 H2O + log_k 39.4 #08GOR/FEI + delta_h -517.39 #kJ/mol +# Enthalpy of formation: -10936.400kJ/mol 06KUB/HEL + -analytic -51.24284E+0 00E+0 27.02516E+3 00E+0 00E+0 Sphaerocobaltite -CoCO3 = 1.000Co+2 + 1.000CO3-2 - log_k -11.200 #99GRA2 - delta_h -9.421 #kJ/mol - # Enthalpy of formation: -723.409 #kJ/mol - -analytic -1.28505E+1 0E+0 4.92092E+2 0E+0 0E+0 +CoCO3 = Co+2 + CO3-2 + log_k -11.2 #99GRA2 + delta_h -9.421 #kJ/mol +# Enthalpy of formation: -723.409 kJ/mol + -analytic -12.85049E+0 00E+0 49.20931E+1 00E+0 00E+0 + +Sr(cr) +Sr = Sr+2 + 2 e- + log_k 98.79 + delta_h -550.9 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 98CHA + -analytic 22.76463E-1 00E+0 28.77551E+3 00E+0 00E+0 Sr(HPO4)(s) -Sr(HPO4) = 1.000Sr+2 - 1.000H+ + 1.000H2(PO4)- - log_k 0.280 #97MAR/SMI - delta_h -19.487 #kJ/mol - # Enthalpy of formation: -1834.012 #kJ/mol - -analytic -3.13397E+0 0E+0 1.01788E+3 0E+0 0E+0 +Sr(HPO4) = Sr+2 - H+ + H2(PO4)- + log_k 0.28 #97MAR/SMI + delta_h -19.487 #kJ/mol +# Enthalpy of formation: -1834.013 kJ/mol + -analytic -31.33976E-1 00E+0 10.17877E+2 00E+0 00E+0 Sr(NO3)2(cr) -Sr(NO3)2 = 1.000Sr+2 + 2.000NO3- - log_k 0.400 - delta_h 17.760 #kJ/mol - # Enthalpy of formation: -982.36 #kJ/mol #92GRE/FUG - -analytic 3.51141E+0 0E+0 -9.27668E+2 0E+0 0E+0 +Sr(NO3)2 = Sr+2 + 2 NO3- + log_k 0.4 + delta_h 17.76 #kJ/mol +# Enthalpy of formation: -982.360 kJ/mol 92GRE/FUG + -analytic 35.11418E-1 00E+0 -92.76694E+1 00E+0 00E+0 Sr(NO3)2:2H2O(s) -Sr(NO3)2:2H2O = 1.000Sr+2 + 2.000NO3- + 2.000H2O - log_k 0.050 #25/08/1994 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5E-2 0E+0 0E+0 0E+0 0E+0 +Sr(NO3)2:2H2O = Sr+2 + 2 NO3- + 2 H2O + log_k 0.05 #25/08/1994 + -analytic 50E-3 00E+0 00E+0 00E+0 00E+0 Sr(NO3)2:4H2O(s) -Sr(NO3)2:4H2O = 1.000Sr+2 + 2.000NO3- + 4.000H2O - log_k -0.870 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -8.7E-1 0E+0 0E+0 0E+0 0E+0 +Sr(NO3)2:4H2O = Sr+2 + 2 NO3- + 4 H2O + log_k -0.87 #96FAL/REA + -analytic -87E-2 00E+0 00E+0 00E+0 00E+0 Sr(OH)2(s) -Sr(OH)2 = 1.000Sr+2 - 2.000H+ + 2.000H2O - log_k 27.510 - delta_h -153.670 #kJ/mol - # Enthalpy of formation: -968.89 #kJ/mol #98CHA - -analytic 5.88211E-1 0E+0 8.02673E+3 0E+0 0E+0 +Sr(OH)2 = Sr+2 - 2 H+ + 2 H2O + log_k 27.51 + delta_h -153.67 #kJ/mol +# Enthalpy of formation: -968.890 kJ/mol 98CHA + -analytic 58.81716E-2 00E+0 80.26743E+2 00E+0 00E+0 Sr(OH)2:8H2O(s) -Sr(OH)2:8H2O = 1.000Sr+2 - 2.000H+ + 10.000H2O - log_k 24.320 #98FEL/DIX - delta_h -57.000 #kJ/mol - # Enthalpy of formation: -3352.2 #kJ/mol #82WAG/EVA - -analytic 1.4334E+1 0E+0 2.97731E+3 0E+0 0E+0 +Sr(OH)2:8H2O = Sr+2 - 2 H+ + 10 H2O + log_k 24.32 #98FEL/DIX + delta_h -57 #kJ/mol +# Enthalpy of formation: -3352.200 kJ/mol 82WAG/EVA + -analytic 14.33403E+0 00E+0 29.77317E+2 00E+0 00E+0 Sr(SeO3)(cr) -Sr(SeO3) = 1.000Sr+2 + 1.000SeO3-2 - log_k -6.300 #05OLI/NOL - delta_h -6.160 #kJ/mol - # Enthalpy of formation: -1051.9 #kJ/mol #05OLI/NOL - -analytic -7.37918E+0 0E+0 3.21759E+2 0E+0 0E+0 +Sr(SeO3) = Sr+2 + SeO3-2 + log_k -6.3 #05OLI/NOL + delta_h -6.16 #kJ/mol +# Enthalpy of formation: -1051.900 kJ/mol 05OLI/NOL + -analytic -73.79186E-1 00E+0 32.17592E+1 00E+0 00E+0 Sr(SeO4)(s) -Sr(SeO4) = 1.000Sr+2 + 1.000SeO4-2 - log_k -4.350 #Original source 59SEL/ZUB recalculated in 05OLI/NOL - delta_h -21.841 #kJ/mol - # Enthalpy of formation: -1132.559 #kJ/mol - -analytic -8.17637E+0 0E+0 1.14083E+3 0E+0 0E+0 - -Sr(cr) -Sr = 1.000Sr+2 + 1.000H2O - 2.000H+ - 0.500O2 - log_k 141.780 - delta_h -830.663 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol - -analytic -3.7457E+0 0E+0 4.33885E+4 0E+0 0E+0 +Sr(SeO4) = Sr+2 + SeO4-2 + log_k -4.35 #Original source 59SEL/ZUB recalculated in 05OLI/NOL + delta_h -21.841 #kJ/mol +# Enthalpy of formation: -1132.559 kJ/mol + -analytic -81.76379E-1 00E+0 11.40835E+2 00E+0 00E+0 Sr2SiO4(s) -Sr2SiO4 = 2.000Sr+2 - 4.000H+ + 1.000H4(SiO4) - log_k 43.250 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.325E+1 0E+0 0E+0 0E+0 0E+0 +Sr2SiO4 = 2 Sr+2 - 4 H+ + H4(SiO4) + log_k 43.25 + -analytic 43.25E+0 00E+0 00E+0 00E+0 00E+0 Sr3(AsO4)2(s) -Sr3(AsO4)2 = 3.000Sr+2 + 2.000AsO4-3 - log_k -16.080 - delta_h -109.493 #kJ/mol - # Enthalpy of formation: -3319.487 #kJ/mol - -analytic -3.52623E+1 0E+0 5.71921E+3 0E+0 0E+0 +Sr3(AsO4)2 = 3 Sr+2 + 2 AsO4-3 + log_k -16.08 + delta_h -109.504 #kJ/mol +# Enthalpy of formation: -3319.478 kJ/mol + -analytic -35.26428E+0 00E+0 57.19792E+2 00E+0 00E+0 Sr3(PO4)2(s) -Sr3(PO4)2 = 3.000Sr+2 - 4.000H+ + 2.000H2(PO4)- - log_k 10.530 #06BLA/IGN - delta_h -147.900 #kJ/mol - # Enthalpy of formation: -4110 #kJ/mol #97KHA/JEM - -analytic -1.53809E+1 0E+0 7.72534E+3 0E+0 0E+0 +Sr3(PO4)2 = 3 Sr+2 - 4 H+ + 2 H2(PO4)- + log_k 10.53 #06BLA/IGN + delta_h -147.9 #kJ/mol +# Enthalpy of formation: -4110.000 kJ/mol 97KHA/JEM + -analytic -15.38097E+0 00E+0 77.25355E+2 00E+0 00E+0 Sr5(PO4)3(OH)(s) -Sr5(PO4)3(OH) = 5.000Sr+2 - 7.000H+ + 3.000H2(PO4)- + 1.000H2O - log_k 7.170 #05KIM/PAR - delta_h -261.630 #kJ/mol - # Enthalpy of formation: -6686.5 #kJ/mol #95JEM/CHE - -analytic -3.86655E+1 0E+0 1.36659E+4 0E+0 0E+0 +Sr5(PO4)3(OH) = 5 Sr+2 - 7 H+ + 3 H2(PO4)- + H2O + log_k 7.17 #05KIM/PAR + delta_h -261.63 #kJ/mol +# Enthalpy of formation: -6686.500 kJ/mol 95JEM/CHE + -analytic -38.66561E+0 00E+0 13.66589E+3 00E+0 00E+0 SrBr2(s) -SrBr2 = 1.000Sr+2 + 2.000Br- - log_k 12.500 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.25E+1 0E+0 0E+0 0E+0 0E+0 +SrBr2 = Sr+2 + 2 Br- + log_k 12.5 #96FAL/REA + -analytic 12.5E+0 00E+0 00E+0 00E+0 00E+0 SrBr2:6H2O(s) -SrBr2:6H2O = 1.000Sr+2 + 2.000Br- + 6.000H2O - log_k 2.820 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.82E+0 0E+0 0E+0 0E+0 0E+0 +SrBr2:6H2O = Sr+2 + 2 Br- + 6 H2O + log_k 2.82 #96FAL/REA + -analytic 28.2E-1 00E+0 00E+0 00E+0 00E+0 SrBr2:H2O(s) -SrBr2:H2O = 1.000Sr+2 + 2.000Br- + 1.000H2O - log_k 8.800 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.8E+0 0E+0 0E+0 0E+0 0E+0 +SrBr2:H2O = Sr+2 + 2 Br- + H2O + log_k 8.8 #96FAL/REA + -analytic 88E-1 00E+0 00E+0 00E+0 00E+0 SrCl2(s) -SrCl2 = 1.000Sr+2 + 2.000Cl- - log_k 8.120 - delta_h -56.210 #kJ/mol - # Enthalpy of formation: -828.85 #kJ/mol #98CHA - -analytic -1.72755E+0 0E+0 2.93605E+3 0E+0 0E+0 +SrCl2 = Sr+2 + 2 Cl- + log_k 8.12 + delta_h -56.21 #kJ/mol +# Enthalpy of formation: -828.850 kJ/mol 98CHA + -analytic -17.27569E-1 00E+0 29.36053E+2 00E+0 00E+0 SrCl2:2H2O(s) -SrCl2:2H2O = 1.000Sr+2 + 2.000Cl- + 2.000H2O - log_k 3.470 - delta_h -18.720 #kJ/mol - # Enthalpy of formation: -1438 #kJ/mol #82WAG/EVA - -analytic 1.90402E-1 0E+0 9.77812E+2 0E+0 0E+0 +SrCl2:2H2O = Sr+2 + 2 Cl- + 2 H2O + log_k 3.47 + delta_h -18.72 #kJ/mol +# Enthalpy of formation: -1438.000 kJ/mol 82WAG/EVA + -analytic 19.03968E-2 00E+0 97.78137E+1 00E+0 00E+0 SrCl2:6H2O(s) -SrCl2:6H2O = 1.000Sr+2 + 2.000Cl- + 6.000H2O - log_k 1.610 - delta_h 23.760 #kJ/mol - # Enthalpy of formation: -2623.8 #kJ/mol #82WAG/EVA - -analytic 5.77257E+0 0E+0 -1.24107E+3 0E+0 0E+0 +SrCl2:6H2O = Sr+2 + 2 Cl- + 6 H2O + log_k 1.61 + delta_h 23.76 #kJ/mol +# Enthalpy of formation: -2623.800 kJ/mol 82WAG/EVA + -analytic 57.72573E-1 00E+0 -12.41071E+2 00E+0 00E+0 SrCl2:H2O(s) -SrCl2:H2O = 1.000Sr+2 + 2.000Cl- + 1.000H2O - log_k 4.910 - delta_h -34.090 #kJ/mol - # Enthalpy of formation: -1136.8 #kJ/mol #82WAG/EVA - -analytic -1.0623E+0 0E+0 1.78064E+3 0E+0 0E+0 +SrCl2:H2O = Sr+2 + 2 Cl- + H2O + log_k 4.91 + delta_h -34.09 #kJ/mol +# Enthalpy of formation: -1136.800 kJ/mol 82WAG/EVA + -analytic -10.62312E-1 00E+0 17.80645E+2 00E+0 00E+0 SrCrO4(s) -SrCrO4 = 1.000Sr+2 + 1.000CrO4-2 - log_k -4.650 #97MAR/SMI - delta_h -10.125 #kJ/mol #97MAR/SMI - # Enthalpy of formation: -1419.775 #kJ/mol - -analytic -6.42382E+0 0E+0 5.28865E+2 0E+0 0E+0 +SrCrO4 = Sr+2 + CrO4-2 + log_k -4.65 #97MAR/SMI + delta_h -10.125 #kJ/mol 97MAR/SMI +# Enthalpy of formation: -1419.775 kJ/mol + -analytic -64.23824E-1 00E+0 52.88656E+1 00E+0 00E+0 SrF2(cr) -SrF2 = 1.000Sr+2 + 2.000F- - log_k -8.540 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -8.54E+0 0E+0 0E+0 0E+0 0E+0 +SrF2 = Sr+2 + 2 F- + log_k -8.54 #96FAL/REA + -analytic -85.4E-1 00E+0 00E+0 00E+0 00E+0 SrMoO4(s) -SrMoO4 = 1.000Sr+2 + 1.000MoO4-2 - log_k -6.590 #54RAO in 74OHA/KEN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.59E+0 0E+0 0E+0 0E+0 0E+0 +SrMoO4 = Sr+2 + MoO4-2 + log_k -6.59 #54RAO in 74OHA/KEN + -analytic -65.9E-1 00E+0 00E+0 00E+0 00E+0 SrO(cr) -SrO = 1.000Sr+2 - 2.000H+ + 1.000H2O - log_k 41.980 - delta_h -244.690 #kJ/mol - # Enthalpy of formation: -592.04 #kJ/mol #98CHA - -analytic -8.87785E-1 0E+0 1.2781E+4 0E+0 0E+0 +SrO = Sr+2 - 2 H+ + H2O + log_k 41.98 + delta_h -244.69 #kJ/mol +# Enthalpy of formation: -592.040 kJ/mol 98CHA + -analytic -88.78479E-2 00E+0 12.78105E+3 00E+0 00E+0 SrS(s) -SrS = 1.000Sr+2 - 1.000H+ + 1.000HS- - log_k 14.680 # - delta_h -93.570 #kJ/mol - # Enthalpy of formation: -473.63 #kJ/mol #82WAG/EVA - -analytic -1.71274E+0 0E+0 4.88749E+3 0E+0 0E+0 +SrS = Sr+2 - H+ + HS- + log_k 14.68 + delta_h -93.57 #kJ/mol +# Enthalpy of formation: -473.630 kJ/mol 82WAG/EVA + -analytic -17.1276E-1 00E+0 48.87501E+2 00E+0 00E+0 SrSiO3(s) -SrSiO3 = 1.000Sr+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O - log_k 13.160 - delta_h -80.278 #kJ/mol - # Enthalpy of formation: -1645.986 #kJ/mol #74NAU/RYZ - -analytic -9.04081E-1 0E+0 4.19321E+3 0E+0 0E+0 +SrSiO3 = Sr+2 - 2 H+ + H4(SiO4) - H2O + log_k 13.16 + delta_h -80.278 #kJ/mol +# Enthalpy of formation: -1645.986 kJ/mol 74NAU/RYZ + -analytic -90.41019E-2 00E+0 41.93212E+2 00E+0 00E+0 SrZrSi2O7(cr) -SrZrSi2O7 = 1.000Sr+2 - 6.000H+ + 2.000H4(SiO4) + 1.000Zr+4 - 1.000H2O - log_k 5.200 - delta_h -155.158 #kJ/mol - # Enthalpy of formation: -3640.8 #kJ/mol #05BRO/CUR - -analytic -2.19825E+1 0E+0 8.10445E+3 0E+0 0E+0 +SrZrSi2O7 = Sr+2 - 6 H+ + 2 H4(SiO4) + Zr+4 - H2O + log_k 5.2 + delta_h -155.158 #kJ/mol +# Enthalpy of formation: -3640.800 kJ/mol 05BRO/CUR + -analytic -21.98251E+0 00E+0 81.04467E+2 00E+0 00E+0 Stellerite -Ca2Al4Si14O36:14H2O = 2.000Ca+2 + 4.000Al+3 - 16.000H+ + 14.000H4(SiO4) - 6.000H2O - log_k 6.990 - delta_h -325.096 #kJ/mol - # Enthalpy of formation: -21656.24 #kJ/mol #01FRI/NEU - -analytic -4.99643E+1 0E+0 1.69809E+4 0E+0 0E+0 +Ca2Al4Si14O36:14H2O = 2 Ca+2 + 4 Al+3 - 16 H+ + 14 H4(SiO4) - 6 H2O + log_k 6.92 + delta_h -325.096 #kJ/mol +# Enthalpy of formation: -21656.240kJ/mol 01FRI/NEU + -analytic -50.03437E+0 00E+0 16.98095E+3 00E+0 00E+0 + -Vm 666.5 Stibnite -Sb2S3 = 3.000H+ + 3.000HS- + 2.000Sb(OH)3 - 6.000H2O - log_k -56.030 - delta_h 269.695 #kJ/mol - # Enthalpy of formation: -151.4 #kJ/mol #95ROB/HEM - -analytic -8.78153E+0 0E+0 -1.40871E+4 0E+0 0E+0 +Sb2S3 = 3 H+ + 3 HS- + 2 Sb(OH)3 - 6 H2O + log_k -56.03 + delta_h 269.694 #kJ/mol +# Enthalpy of formation: -151.400 kJ/mol 95ROB/HEM + -analytic -87.81639E-1 00E+0 -14.0871E+3 00E+0 00E+0 Stilbite -NaCa2(Al5Si13)O36:16H2O = 2.000Ca+2 + 1.000Na+ + 5.000Al+3 - 20.000H+ + 13.000H4(SiO4) - log_k 23.050 - delta_h -434.152 #kJ/mol - # Enthalpy of formation: -22579.71 #kJ/mol #01FRI/NEU - -analytic -5.30101E+1 0E+0 2.26773E+4 0E+0 0E+0 +NaCa2(Al5Si13)O36:16H2O = 2 Ca+2 + Na+ + 5 Al+3 - 20 H+ + 13 H4(SiO4) + log_k 22.97 + delta_h -434.152 #kJ/mol +# Enthalpy of formation: -22579.710kJ/mol 01FRI/NEU + -analytic -53.09017E+0 00E+0 22.67734E+3 00E+0 00E+0 + -Vm 664.7 Stilleite -ZnSe = 1.000Zn+2 - 1.000H+ + 1.000HSe- - log_k -12.050 - delta_h 36.910 #kJ/mol - # Enthalpy of formation: -176 #kJ/mol #05OLI/NOL - -analytic -5.58366E+0 0E+0 -1.92794E+3 0E+0 0E+0 +ZnSe = Zn+2 - H+ + HSe- + log_k -12.05 + delta_h 36.91 #kJ/mol +# Enthalpy of formation: -176.000 kJ/mol 05OLI/NOL + -analytic -55.83646E-1 00E+0 -19.27944E+2 00E+0 00E+0 Stratlingite -Ca2Al2SiO3(OH)8:4H2O = 2.000Ca+2 + 2.000Al+3 - 10.000H+ + 1.000H4(SiO4) + 11.000H2O - log_k 49.660 #10BLA/BOU2 - delta_h -397.795 #kJ/mol - # Enthalpy of formation: -6370.329 #kJ/mol - -analytic -2.00306E+1 0E+0 2.07782E+4 0E+0 0E+0 +Ca2Al2SiO3(OH)8:4H2O = 2 Ca+2 + 2 Al+3 - 10 H+ + H4(SiO4) + 11 H2O + log_k 49.66 #10BLA/BOU2 + delta_h -397.949 #kJ/mol +# Enthalpy of formation: -6370.171 kJ/mol + -analytic -20.05767E+0 00E+0 20.78632E+3 00E+0 00E+0 + -Vm 215.63 Strontianite -Sr(CO3) = 1.000Sr+2 + 1.000CO3-2 - log_k -9.270 #84BUS/PLU - delta_h -0.366 #kJ/mol - # Enthalpy of formation: -1225.764 #kJ/mol - -analytic -9.33412E+0 0E+0 1.91175E+1 0E+0 0E+0 +Sr(CO3) = Sr+2 + CO3-2 + log_k -9.27 #84BUS/PLU + delta_h -0.366 #kJ/mol +# Enthalpy of formation: -1225.765 kJ/mol + -analytic -93.3412E-1 00E+0 19.11751E+0 00E+0 00E+0 Sudoite -Mg2Al4Si3O10(OH)8 = 2.000Mg+2 + 4.000Al+3 - 16.000H+ + 3.000H4(SiO4) + 6.000H2O - log_k 37.960 - delta_h -530.892 #kJ/mol - # Enthalpy of formation: -8655.27 #kJ/mol #05VID/PAR - -analytic -5.50481E+1 0E+0 2.77304E+4 0E+0 0E+0 +Mg2Al4Si3O10(OH)8 = 2 Mg+2 + 4 Al+3 - 16 H+ + 3 H4(SiO4) + 6 H2O + log_k 37.93 + delta_h -530.892 #kJ/mol +# Enthalpy of formation: -8655.270 kJ/mol 05VID/PAR + -analytic -55.07829E+0 00E+0 27.73042E+3 00E+0 00E+0 + -Vm 205.1 Sylvite -KCl = 1.000K+ + 1.000Cl- - log_k 0.870 - delta_h 17.460 #kJ/mol - # Enthalpy of formation: -436.68 #kJ/mol #98CHA - -analytic 3.92886E+0 0E+0 -9.11998E+2 0E+0 0E+0 +KCl = K+ + Cl- + log_k 0.87 + delta_h 17.46 #kJ/mol +# Enthalpy of formation: -436.680 kJ/mol 98CHA + -analytic 39.28861E-1 00E+0 -91.19993E+1 00E+0 00E+0 + -Vm 37.52 Syngenite -K2Ca(SO4)2:6H2O = 1.000Ca+2 + 2.000K+ + 2.000SO4-2 + 6.000H2O - log_k -7.450 #84HAR/MOL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -7.45E+0 0E+0 0E+0 0E+0 0E+0 +K2Ca(SO4)2:6H2O = Ca+2 + 2 K+ + 2 SO4-2 + 6 H2O + log_k -7.45 #84HAR/MOL + -analytic -74.5E-1 00E+0 00E+0 00E+0 00E+0 Tachyhydrite -Mg2CaCl6:12H2O = 1.000Ca+2 + 2.000Mg+2 + 6.000Cl- + 12.000H2O - log_k 17.380 #84HAR/MOL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.738E+1 0E+0 0E+0 0E+0 0E+0 +Mg2CaCl6:12H2O = Ca+2 + 2 Mg+2 + 6 Cl- + 12 H2O + log_k 17.38 #84HAR/MOL + -analytic 17.38E+0 00E+0 00E+0 00E+0 00E+0 Talc -Mg3Si4O10(OH)2 = 3.000Mg+2 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O - log_k 24.940 - delta_h -210.356 #kJ/mol - # Enthalpy of formation: -5892.1 #kJ/mol #01KAH/MAR - -analytic -1.19127E+1 0E+0 1.09876E+4 0E+0 0E+0 +Mg3Si4O10(OH)2 = 3 Mg+2 - 6 H+ + 4 H4(SiO4) - 4 H2O + log_k 24.92 + delta_h -210.356 #kJ/mol +# Enthalpy of formation: -5892.100 kJ/mol 01KAH/MAR + -analytic -11.93279E+0 00E+0 10.98766E+3 00E+0 00E+0 + -Vm 136.2 Tc(cr) -Tc = 1.000TcO(OH)2 - 1.000H2O - 1.000O2 - log_k 60.900 - delta_h -451.356 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #99RAR/RAN - -analytic -1.81741E+1 0E+0 2.35759E+4 0E+0 0E+0 - -Tc2O7(s) -Tc2O7 = 2.000H+ + 2.000TcO4- - 1.000H2O - log_k 15.310 - delta_h -46.470 #kJ/mol - # Enthalpy of formation: -1126.5 #kJ/mol #99RAR/RAN - -analytic 7.16882E+0 0E+0 2.42729E+3 0E+0 0E+0 +Tc = TcO(OH)2 + 4 H+ + 4 e- - 3 H2O + log_k -24.34 + delta_h 108.247 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 99RAR/RAN + -analytic -53.7594E-1 00E+0 -56.54135E+2 00E+0 00E+0 + +Tc2O7(cr) +Tc2O7 = 2 H+ + 2 TcO4- - H2O + log_k 15.31 + delta_h -46.47 #kJ/mol +# Enthalpy of formation: -1126.500 kJ/mol 99RAR/RAN + -analytic 71.68805E-1 00E+0 24.27297E+2 00E+0 00E+0 Tc2O7:H2O(s) -Tc2O7:H2O = 2.000H+ + 2.000TcO4- - log_k 14.100 - delta_h -44.654 #kJ/mol - # Enthalpy of formation: -1414.146 #kJ/mol #99RAR/RAN - -analytic 6.27697E+0 0E+0 2.33244E+3 0E+0 0E+0 +Tc2O7:H2O = 2 H+ + 2 TcO4- + log_k 14.11 + delta_h -44.654 #kJ/mol +# Enthalpy of formation: -1414.146 kJ/mol 99RAR/RAN + -analytic 62.86955E-1 00E+0 23.32441E+2 00E+0 00E+0 + +TcO2(aged) +TcO2 = TcO(OH)2 - H2O + log_k -8.72 #20GRE/GAO + -analytic -87.2E-1 00E+0 00E+0 00E+0 00E+0 TcO2(cr) -TcO2 = 1.000TcO(OH)2 - 1.000H2O - log_k -9.140 #97NGU/LAN - delta_h -5.690 #kJ/mol - # Enthalpy of formation: -457.8 #kJ/mol #99RAR/RAN - -analytic -1.01368E+1 0E+0 2.97209E+2 0E+0 0E+0 - -TcO2:1.63H2O(s) -TcO2:1.63H2O = 1.000TcO(OH)2 + 0.630H2O - log_k -8.400 #99RAR/RAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -8.4E+0 0E+0 0E+0 0E+0 0E+0 +TcO2 = TcO(OH)2 - H2O + log_k -9.15 #97NGU/LAN + delta_h -5.613 #kJ/mol +# Enthalpy of formation: -457.800 kJ/mol 20GRE/GAO + -analytic -10.13336E+0 00E+0 29.31874E+1 00E+0 00E+0 + +TcO2(fresh) +TcO2 = TcO(OH)2 - H2O + log_k -7.66 #20GRE/GAO + -analytic -76.6E-1 00E+0 00E+0 00E+0 00E+0 + +Th(cr) +Th = Th+4 + 4 e- + log_k 123.47 + delta_h -768.7 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 09RAN/FUG + -analytic -11.20046E+0 00E+0 40.152E+3 00E+0 00E+0 Th(HPO4)2(s) -Th(HPO4)2 = 1.000Th+4 - 2.000H+ + 2.000H2(PO4)- - log_k -16.110 #Estimated from An(IV) correlations - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.611E+1 0E+0 0E+0 0E+0 0E+0 +Th(HPO4)2 = Th+4 - 2 H+ + 2 H2(PO4)- + log_k -16.11 #Estimated from An(IV) correlations + -analytic -16.11E+0 00E+0 00E+0 00E+0 00E+0 Th(SO4)2:9H2O(cr) -Th(SO4)2:9H2O = 1.000Th+4 + 2.000SO4-2 + 9.000H2O - log_k -11.250 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.125E+1 0E+0 0E+0 0E+0 0E+0 +Th(SO4)2:9H2O = Th+4 + 2 SO4-2 + 9 H2O + log_k -11.25 #09RAN/FUG + -analytic -11.25E+0 00E+0 00E+0 00E+0 00E+0 + +Thenardite +Na2SO4 = 2 Na+ + SO4-2 + log_k -0.36 + delta_h -2.2 #kJ/mol +# Enthalpy of formation: -1387.820 kJ/mol 98CHA + -analytic -74.54235E-2 00E+0 11.4914E+1 00E+0 00E+0 + -Vm 53.33 -Th(cr) -Th = 1.000Th+4 + 2.000H2O - 4.000H+ - 1.000O2 - log_k 209.450 - delta_h -1328.226 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #09RAN/FUG - -analytic -2.32449E+1 0E+0 6.9378E+4 0E+0 0E+0 +Thermonatrite +Na2(CO3):H2O = 2 Na+ + CO3-2 + H2O + log_k 0.48 #84HAR/MOL + delta_h -12.04 #kJ/mol +# Enthalpy of formation: -1429.700 kJ/mol 82VAN + -analytic -16.29317E-1 00E+0 62.8893E+1 00E+0 00E+0 ThF4(cr) -ThF4 = 1.000Th+4 + 4.000F- - log_k -19.110 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.911E+1 0E+0 0E+0 0E+0 0E+0 +ThF4 = Th+4 + 4 F- + log_k -30.63 + delta_h 74.611 #kJ/mol +# Enthalpy of formation: -2184.710 kJ/mol + -analytic -17.55871E+0 00E+0 -38.97204E+2 00E+0 00E+0 ThO2(aged) -ThO2 = 1.000Th+4 - 4.000H+ + 2.000H2O - log_k 8.500 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.5E+0 0E+0 0E+0 0E+0 0E+0 +ThO2 = Th+4 - 4 H+ + 2 H2O + log_k 8.5 #09RAN/FUG + -analytic 85E-1 00E+0 00E+0 00E+0 00E+0 ThO2(coll) -ThO2 = 1.000Th+4 - 4.000H+ + 2.000H2O - log_k 11.100 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.11E+1 0E+0 0E+0 0E+0 0E+0 +ThO2 = Th+4 - 4 H+ + 2 H2O + log_k 11.1 #09RAN/FUG + -analytic 11.1E+0 00E+0 00E+0 00E+0 00E+0 ThO2(cr) -ThO2 = 1.000Th+4 - 4.000H+ + 2.000H2O - log_k 1.770 - delta_h -113.960 #kJ/mol - # Enthalpy of formation: -1226.4 #kJ/mol #09RAN/FUG - -analytic -1.81949E+1 0E+0 5.95254E+3 0E+0 0E+0 +ThO2 = Th+4 - 4 H+ + 2 H2O + log_k 1.77 + delta_h -113.96 #kJ/mol +# Enthalpy of formation: -1226.400 kJ/mol 09RAN/FUG + -analytic -18.19493E+0 00E+0 59.52545E+2 00E+0 00E+0 ThO2(fresh) -ThO2 = 1.000Th+4 - 4.000H+ + 2.000H2O - log_k 9.300 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.3E+0 0E+0 0E+0 0E+0 0E+0 +ThO2 = Th+4 - 4 H+ + 2 H2O + log_k 9.3 #09RAN/FUG + -analytic 93E-1 00E+0 00E+0 00E+0 00E+0 ThO2(mcr) -ThO2 = 1.000Th+4 - 4.000H+ + 2.000H2O - log_k 3.000 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3E+0 0E+0 0E+0 0E+0 0E+0 - -Thermonatrite -Na2(CO3):H2O = 2.000Na+ + 1.000CO3-2 + 1.000H2O - log_k 0.480 #84HAR/MOL - delta_h -12.040 #kJ/mol - # Enthalpy of formation: -1429.7 #kJ/mol #82VAN - -analytic -1.62931E+0 0E+0 6.28892E+2 0E+0 0E+0 - -Thernardite -Na2SO4 = 2.000Na+ + 1.000SO4-2 - log_k -0.360 - delta_h -2.200 #kJ/mol - # Enthalpy of formation: -1387.82 #kJ/mol #98CHA - -analytic -7.45423E-1 0E+0 1.14914E+2 0E+0 0E+0 - -Tiemannite -HgSe = 1.000Hg+2 - 1.000H+ + 1.000HSe- - log_k -45.430 - delta_h 241.521 #kJ/mol - # Enthalpy of formation: -57.011 #kJ/mol - -analytic -3.1174E+0 0E+0 -1.26155E+4 0E+0 0E+0 +ThO2 = Th+4 - 4 H+ + 2 H2O + log_k 3 #09RAN/FUG + -analytic 30E-1 00E+0 00E+0 00E+0 00E+0 Tobermorite-11A -Ca5Si6O16.5(OH):5H2O = 5.000Ca+2 - 10.000H+ + 6.000H4(SiO4) - 1.500H2O - log_k 65.580 #10BLA/BOU1 - delta_h -372.499 #kJ/mol - # Enthalpy of formation: -10680.92 #kJ/mol #00ZUE/FEH - -analytic 3.21072E-1 0E+0 1.94569E+4 0E+0 0E+0 +Ca5Si6O16.5(OH):5H2O = 5 Ca+2 - 10 H+ + 6 H4(SiO4) - 1.5 H2O + log_k 65.58 #10BLA/BOU1 + delta_h -372.499 #kJ/mol +# Enthalpy of formation: -10680.920kJ/mol 00ZUE/FEH + -analytic 32.09765E-2 00E+0 19.45698E+3 00E+0 00E+0 + -Vm 286.19 Tobermorite-14A -Ca5Si6O16.5(OH):10H2O = 5.000Ca+2 - 10.000H+ + 6.000H4(SiO4) + 3.500H2O - log_k 62.940 #10BLA/BOU1 - delta_h -307.419 #kJ/mol - # Enthalpy of formation: -12175.15 #kJ/mol #10BLA/BOU1 - -analytic 9.08258E+0 0E+0 1.60576E+4 0E+0 0E+0 +Ca5Si6O16.5(OH):10H2O = 5 Ca+2 - 10 H+ + 6 H4(SiO4) + 3.5 H2O + log_k 62.94 #10BLA/BOU1 + delta_h -307.419 #kJ/mol +# Enthalpy of formation: -12175.150kJ/mol 10BLA/BOU1 + -analytic 90.82503E-1 00E+0 16.05761E+3 00E+0 00E+0 + -Vm 351.3 Trevorite -Fe2NiO4 = 2.000Fe+3 + 1.000Ni+2 - 8.000H+ + 4.000H2O - log_k 9.400 - delta_h -214.413 #kJ/mol - # Enthalpy of formation: -1081.173 #kJ/mol - -analytic -2.81635E+1 0E+0 1.11996E+4 0E+0 0E+0 +Fe2NiO4 = 2 Fe+3 + Ni+2 - 8 H+ + 4 H2O + log_k 9.43 + delta_h -217.41 #kJ/mol +# Enthalpy of formation: -1081.032 kJ/mol + -analytic -28.6586E+0 00E+0 11.35612E+3 00E+0 00E+0 Troilite -FeS = 1.000Fe+2 - 1.000H+ + 1.000HS- - log_k -5.310 #91DAV - delta_h 2.015 #kJ/mol - # Enthalpy of formation: -108.315 #kJ/mol - -analytic -4.95699E+0 0E+0 -1.05251E+2 0E+0 0E+0 +FeS = Fe+2 - H+ + HS- + log_k -3.99 + delta_h -5.685 #kJ/mol +# Enthalpy of formation: -100.910 kJ/mol 20LEM/PAL + -analytic -49.85969E-1 00E+0 29.69482E+1 00E+0 00E+0 Trona -Na3H(CO3)2:2H2O = 3.000Na+ + 1.000H+ + 2.000CO3-2 + 2.000H2O - log_k -11.380 #84HAR/MOL - delta_h 38.960 #kJ/mol - # Enthalpy of formation: -2682.1 #kJ/mol #82VAN - -analytic -4.55451E+0 0E+0 -2.03502E+3 0E+0 0E+0 +Na3H(CO3)2:2H2O = 3 Na+ + H+ + 2 CO3-2 + 2 H2O + log_k -11.38 #84HAR/MOL + delta_h 38.96 #kJ/mol +# Enthalpy of formation: -2682.100 kJ/mol 82VAN + -analytic -45.54501E-1 00E+0 -20.35023E+2 00E+0 00E+0 Truscottite -Ca7Si12O29(OH)4:H2O = 7.000Ca+2 - 14.000H+ + 12.000H4(SiO4) - 14.000H2O - log_k 77.080 - delta_h -479.088 #kJ/mol - # Enthalpy of formation: -16854.62 #kJ/mol #10BLA/BOU1 - -analytic -6.85249E+0 0E+0 2.50245E+4 0E+0 0E+0 +Ca7Si12O29(OH)4:H2O = 7 Ca+2 - 14 H+ + 12 H4(SiO4) - 14 H2O + log_k 77.08 + delta_h -479.088 #kJ/mol +# Enthalpy of formation: -16854.620kJ/mol 10BLA/BOU1 + -analytic -68.52615E-1 00E+0 25.02451E+3 00E+0 00E+0 + -Vm 478.73 + +U(cr) +U = U+4 + 4 e- + log_k 92.83 + delta_h -591.2 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 92GRE/FUG + -analytic -10.74379E+0 00E+0 30.88053E+3 00E+0 00E+0 U(HPO4)2:4H2O(s) -U(HPO4)2:4H2O = 1.000U+4 - 2.000H+ + 2.000H2(PO4)- + 4.000H2O - log_k -16.070 #92GRE/FUG - delta_h -4.902 #kJ/mol - # Enthalpy of formation: -4334.819 #kJ/mol - -analytic -1.69288E+1 0E+0 2.56049E+2 0E+0 0E+0 +U(HPO4)2:4H2O = U+4 - 2 H+ + 2 H2(PO4)- + 4 H2O + log_k -16.07 #92GRE/FUG + delta_h -4.89 #kJ/mol +# Enthalpy of formation: -4334.828 kJ/mol + -analytic -16.92669E+0 00E+0 25.54225E+1 00E+0 00E+0 U(OH)2(SO4)(cr) -U(OH)2(SO4) = 1.000U+4 - 2.000H+ + 1.000SO4-2 + 2.000H2O - log_k -3.170 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.17E+0 0E+0 0E+0 0E+0 0E+0 +U(OH)2(SO4) = U+4 - 2 H+ + SO4-2 + 2 H2O + log_k -3.17 #92GRE/FUG + -analytic -31.7E-1 00E+0 00E+0 00E+0 00E+0 U(SO4)2(cr) -U(SO4)2 = 1.000U+4 + 2.000SO4-2 - log_k -11.680 - delta_h -100.280 #kJ/mol - # Enthalpy of formation: -2309.6 #kJ/mol #92GRE/FUG - -analytic -2.92483E+1 0E+0 5.23798E+3 0E+0 0E+0 +U(SO4)2 = U+4 + 2 SO4-2 + log_k -11.68 + delta_h -100.28 #kJ/mol +# Enthalpy of formation: -2309.600 kJ/mol 92GRE/FUG + -analytic -29.2483E+0 00E+0 52.37989E+2 00E+0 00E+0 U(SO4)2:4H2O(cr) -U(SO4)2:4H2O = 1.000U+4 + 2.000SO4-2 + 4.000H2O - log_k -11.720 - delta_h -70.000 #kJ/mol - # Enthalpy of formation: -3483.2 #kJ/mol #92GRE/FUG - -analytic -2.39835E+1 0E+0 3.65635E+3 0E+0 0E+0 - -U(SO4)2:8H2O(cr) -U(SO4)2:8H2O = 1.000U+4 + 2.000SO4-2 + 8.000H2O - log_k -12.770 - delta_h -33.920 #kJ/mol - # Enthalpy of formation: -4662.6 #kJ/mol #92GRE/FUG - -analytic -1.87125E+1 0E+0 1.77176E+3 0E+0 0E+0 - -U(cr) -U = 1.000U+4 + 2.000H2O - 4.000H+ - 1.000O2 - log_k 178.810 - delta_h -1150.726 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #92GRE/FUG - -analytic -2.27882E+1 0E+0 6.01065E+4 0E+0 0E+0 +U(SO4)2:4H2O = U+4 + 2 SO4-2 + 4 H2O + log_k -11.71 + delta_h -70 #kJ/mol +# Enthalpy of formation: -3483.200 kJ/mol 92GRE/FUG + -analytic -23.97347E+0 00E+0 36.56355E+2 00E+0 00E+0 + +U(SO4)2:8H2O(s) +U(SO4)2:8H2O = U+4 + 2 SO4-2 + 8 H2O + log_k -12.77 + delta_h -33.92 #kJ/mol +# Enthalpy of formation: -4662.600 kJ/mol 92GRE/FUG + -analytic -18.71253E+0 00E+0 17.71765E+2 00E+0 00E+0 U2O7Ba(cr) -U2O7Ba = 1.000Ba+2 + 2.000UO2+2 - 6.000H+ + 3.000H2O - log_k 21.390 - delta_h -193.090 #kJ/mol - # Enthalpy of formation: -3237.2 #kJ/mol #92GRE/FUG - -analytic -1.24379E+1 0E+0 1.00858E+4 0E+0 0E+0 +U2O7Ba = Ba+2 + 2 UO2+2 - 6 H+ + 3 H2O + log_k 21.39 + delta_h -193.09 #kJ/mol +# Enthalpy of formation: -3237.200 kJ/mol 92GRE/FUG + -analytic -12.43792E+0 00E+0 10.08579E+3 00E+0 00E+0 U2O7Ba2(cr) -U2O7Ba2 = 2.000Ba+2 + 2.000UO2+ - 6.000H+ + 3.000H2O - log_k 35.350 - delta_h -237.344 #kJ/mol - # Enthalpy of formation: -3740 #kJ/mol #92GRE/FUG - -analytic -6.23082E+0 0E+0 1.23973E+4 0E+0 0E+0 +U2O7Ba2 = 2 Ba+2 + 2 UO2+ - 6 H+ + 3 H2O + log_k 35.35 + delta_h -237.344 #kJ/mol +# Enthalpy of formation: -3740.000 kJ/mol 92GRE/FUG + -analytic -62.30884E-1 00E+0 12.39734E+3 00E+0 00E+0 U2O7Na2(s) -U2O7Na2 = 2.000Na+ + 2.000UO2+2 - 6.000H+ + 3.000H2O - log_k 22.600 - delta_h -172.370 #kJ/mol - # Enthalpy of formation: -3203.8 #kJ/mol #92GRE/FUG - -analytic -7.59788E+0 0E+0 9.0035E+3 0E+0 0E+0 +U2O7Na2 = 2 Na+ + 2 UO2+2 - 6 H+ + 3 H2O + log_k 22.6 + delta_h -172.37 #kJ/mol +# Enthalpy of formation: -3203.800 kJ/mol 92GRE/FUG + -analytic -75.97928E-1 00E+0 90.03512E+2 00E+0 00E+0 U3As4(s) -U3As4 = 3.000UO2+2 - 3.000H2O + 6.000H+ + 4.000AsO4-3 - 9.500O2 - log_k 730.640 - delta_h -4916.797 #kJ/mol - # Enthalpy of formation: -720 #kJ/mol #03GUI/FAN - -analytic -1.30745E+2 0E+0 2.56822E+5 0E+0 0E+0 +U3As4 = 3 UO2+2 + 44 H+ + 38 e- + 4 AsO4-3 - 22 H2O + log_k -86.09 + delta_h 398.7 #kJ/mol +# Enthalpy of formation: -720.000 kJ/mol 03GUI/FAN + -analytic -16.24076E+0 00E+0 -20.82555E+3 00E+0 00E+0 UAs(s) -UAs = 1.000UO2+2 - 0.500H2O + 1.000H+ + 1.000AsO4-3 - 2.750O2 - log_k 225.935 - delta_h -1496.557 #kJ/mol - # Enthalpy of formation: -234.3 #kJ/mol #03GUI/FAN - -analytic -3.62501E+1 0E+0 7.81705E+4 0E+0 0E+0 +UAs = UO2+2 + 12 H+ + 11 e- + AsO4-3 - 6 H2O + log_k -10.48 + delta_h 42.14 #kJ/mol +# Enthalpy of formation: -234.300 kJ/mol 03GUI/FAN + -analytic -30.97389E-1 00E+0 -22.01125E+2 00E+0 00E+0 UAs2(s) -UAs2 = 1.000UO2+2 - 2.000H2O + 4.000H+ + 2.000AsO4-3 - 4.000O2 - log_k 278.200 - delta_h -1923.084 #kJ/mol - # Enthalpy of formation: -252 #kJ/mol #03GUI/FAN - -analytic -5.87094E+1 0E+0 1.0045E+5 0E+0 0E+0 +UAs2 = UO2+2 + 20 H+ + 16 e- + 2 AsO4-3 - 10 H2O + log_k -65.68 + delta_h 315.02 #kJ/mol +# Enthalpy of formation: -252.000 kJ/mol 03GUI/FAN + -analytic -10.49087E+0 00E+0 -16.45464E+3 00E+0 00E+0 UO2(CO3)3Mg2:18H2O(s) -UO2(CO3)3Mg2:18H2O = 2.000Mg+2 + 1.000UO2+2 + 3.000CO3-2 + 18.000H2O - log_k -29.010 - delta_h 40.570 #kJ/mol - # Enthalpy of formation: -9164.2 #kJ/mol #99CHE/EWI - -analytic -2.19025E+1 0E+0 -2.11912E+3 0E+0 0E+0 +UO2(CO3)3Mg2:18H2O = 2 Mg+2 + UO2+2 + 3 CO3-2 + 18 H2O + log_k -29.01 + delta_h 40.57 #kJ/mol +# Enthalpy of formation: -9164.200 kJ/mol 99CHE/EWI + -analytic -21.90244E+0 00E+0 -21.19119E+2 00E+0 00E+0 UO2(CO3)3Na4(cr) -UO2(CO3)3Na4 = 4.000Na+ + 1.000UO2+2 + 3.000CO3-2 - log_k -27.180 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.718E+1 0E+0 0E+0 0E+0 0E+0 +UO2(CO3)3Na4 = 4 Na+ + UO2+2 + 3 CO3-2 + log_k -27.18 #03GUI/FAN + -analytic -27.18E+0 00E+0 00E+0 00E+0 00E+0 UO2(HPO4):4H2O(cr) -UO2(HPO4):4H2O = 1.000UO2+2 - 1.000H+ + 1.000H2(PO4)- + 4.000H2O - log_k -4.640 #92GRE/FUG - delta_h 5.048 #kJ/mol - # Enthalpy of formation: -3469.968 #kJ/mol - -analytic -3.75563E+0 0E+0 -2.63675E+2 0E+0 0E+0 +UO2(HPO4):4H2O = UO2+2 - H+ + H2(PO4)- + 4 H2O + log_k -4.64 #92GRE/FUG + delta_h 5.048 #kJ/mol +# Enthalpy of formation: -3469.967 kJ/mol + -analytic -37.55628E-1 00E+0 -26.36754E+1 00E+0 00E+0 UO2(OH)2(beta) -UO2(OH)2 = 1.000UO2+2 - 2.000H+ + 2.000H2O - log_k 4.930 - delta_h -56.860 #kJ/mol - # Enthalpy of formation: -1533.8 #kJ/mol #92GRE/FUG - -analytic -5.03143E+0 0E+0 2.97E+3 0E+0 0E+0 +UO2(OH)2 = UO2+2 - 2 H+ + 2 H2O + log_k 4.93 + delta_h -56.86 #kJ/mol +# Enthalpy of formation: -1533.800 kJ/mol 92GRE/FUG + -analytic -50.31444E-1 00E+0 29.70005E+2 00E+0 00E+0 UO2(Ox):3H2O(s) -UO2(Ox):3H2O = 1.000UO2+2 + 1.000Ox-2 + 3.000H2O - log_k -8.930 #05HUM/AND - delta_h -5.160 #kJ/mol #05HUM/AND - # Enthalpy of formation: -2701.99 #kJ/mol - -analytic -9.83399E+0 0E+0 2.69525E+2 0E+0 0E+0 +UO2(Ox):3H2O = UO2+2 + Ox-2 + 3 H2O + log_k -8.93 #05HUM/AND + delta_h -5.16 #kJ/mol 05HUM/AND +# Enthalpy of formation: -2701.990 kJ/mol + -analytic -98.33993E-1 00E+0 26.95256E+1 00E+0 00E+0 UO2(SO3)(cr) -UO2(SO3) = 1.000UO2+2 + 1.000SO3-2 - log_k -15.830 - delta_h 6.450 #kJ/mol - # Enthalpy of formation: -1661 #kJ/mol #92GRE/FUG - -analytic -1.47E+1 0E+0 -3.36906E+2 0E+0 0E+0 +UO2(SO3) = UO2+2 + SO3-2 + log_k -16.05 + delta_h 10.94 #kJ/mol +# Enthalpy of formation: -1661.000 kJ/mol 92GRE/FUG + -analytic -14.13339E+0 00E+0 -57.1436E+1 00E+0 00E+0 UO2(SO4)(cr) -UO2(SO4) = 1.000UO2+2 + 1.000SO4-2 - log_k 1.890 #92GRE/FUG - delta_h -83.200 #kJ/mol - # Enthalpy of formation: -1845.14 #kJ/mol #92GRE/FUG - -analytic -1.2686E+1 0E+0 4.34583E+3 0E+0 0E+0 +UO2(SO4) = UO2+2 + SO4-2 + log_k 1.89 + delta_h -83.2 #kJ/mol +# Enthalpy of formation: -1845.140 kJ/mol 92GRE/FUG + -analytic -12.68601E+0 00E+0 43.45839E+2 00E+0 00E+0 UO2(SO4):2.5H2O(cr) -UO2(SO4):2.5H2O = 1.000UO2+2 + 1.000SO4-2 + 2.500H2O - log_k -1.590 - delta_h -35.915 #kJ/mol - # Enthalpy of formation: -2607 #kJ/mol #92GRE/FUG - -analytic -7.88203E+0 0E+0 1.87597E+3 0E+0 0E+0 +UO2(SO4):2.5H2O = UO2+2 + SO4-2 + 2.5 H2O + log_k -1.59 + delta_h -35.915 #kJ/mol +# Enthalpy of formation: -2607.000 kJ/mol 92GRE/FUG + -analytic -78.82038E-1 00E+0 18.75971E+2 00E+0 00E+0 UO2(SO4):3.5H2O(cr) -UO2(SO4):3.5H2O = 1.000UO2+2 + 1.000SO4-2 + 3.500H2O - log_k -1.590 - delta_h -27.145 #kJ/mol - # Enthalpy of formation: -2901.6 #kJ/mol #92GRE/FUG - -analytic -6.34559E+0 0E+0 1.41788E+3 0E+0 0E+0 +UO2(SO4):3.5H2O = UO2+2 + SO4-2 + 3.5 H2O + log_k -1.59 + delta_h -27.145 #kJ/mol +# Enthalpy of formation: -2901.600 kJ/mol 92GRE/FUG + -analytic -63.456E-1 00E+0 14.17882E+2 00E+0 00E+0 UO2(SO4):3H2O(cr) -UO2(SO4):3H2O = 1.000UO2+2 + 1.000SO4-2 + 3.000H2O - log_k -1.500 #92GRE/FUG - delta_h -34.330 #kJ/mol - # Enthalpy of formation: -2751.5 #kJ/mol #92GRE/FUG - -analytic -7.51435E+0 0E+0 1.79318E+3 0E+0 0E+0 +UO2(SO4):3H2O = UO2+2 + SO4-2 + 3 H2O + log_k -1.5 + delta_h -34.33 #kJ/mol +# Enthalpy of formation: -2751.500 kJ/mol 92GRE/FUG + -analytic -75.14358E-1 00E+0 17.93181E+2 00E+0 00E+0 UO2.25(s) -UO2.25 = 1.000U+4 - 4.000H+ + 2.000H2O + 0.125O2 - log_k -11.748 - delta_h -36.377 #kJ/mol - # Enthalpy of formation: -1128 #kJ/mol #92GRE/FUG - -analytic -1.81205E+1 0E+0 1.90011E+3 0E+0 0E+0 +UO2.25 = U+4 - 4.5 H+ - 0.5 e- + 2.25 H2O + log_k -1 + delta_h -106.318 #kJ/mol +# Enthalpy of formation: -1128.000 kJ/mol 92GRE/FUG + -analytic -19.62611E+0 00E+0 55.53376E+2 00E+0 00E+0 UO2.34(beta) -UO2.34 = 1.000U+4 - 4.000H+ + 2.000H2O + 0.170O2 - log_k -13.987 - delta_h -22.008 #kJ/mol - # Enthalpy of formation: -1141 #kJ/mol #03GUI/FAN - -analytic -1.78422E+1 0E+0 1.14953E+3 0E+0 0E+0 +UO2.34 = U+4 - 4.68 H+ - 0.68 e- + 2.34 H2O + log_k 0.95 + delta_h -119.042 #kJ/mol +# Enthalpy of formation: -1141.000 kJ/mol 03GUI/FAN + -analytic -19.90526E+0 00E+0 62.17997E+2 00E+0 00E+0 UO2.67(s) -UO2.67 = 1.000U+4 - 4.000H+ + 2.000H2O + 0.335O2 - log_k -21.953 - delta_h 25.618 #kJ/mol - # Enthalpy of formation: -1191.6 #kJ/mol #92GRE/FUG - -analytic -1.74652E+1 0E+0 -1.33813E+3 0E+0 0E+0 +UO2.67 = U+4 - 5.34 H+ - 1.34 e- + 2.67 H2O + log_k 7 + delta_h -162.766 #kJ/mol +# Enthalpy of formation: -1191.600 kJ/mol 92GRE/FUG + -analytic -21.51538E+0 00E+0 85.0186E+2 00E+0 00E+0 UO2:2H2O(am) -UO2:2H2O = 1.000U+4 - 4.000H+ + 4.000H2O - log_k 1.500 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.5E+0 0E+0 0E+0 0E+0 0E+0 +UO2:2H2O = U+4 - 4 H+ + 4 H2O + log_k 1.5 #20GRE/GAO + -analytic 15E-1 00E+0 00E+0 00E+0 00E+0 UO3(alfa) -UO3 = 1.000UO2+2 - 2.000H+ + 1.000H2O - log_k 9.520 - delta_h -92.420 #kJ/mol - # Enthalpy of formation: -1212.41 #kJ/mol #03GUI/FAN - -analytic -6.67127E+0 0E+0 4.82743E+3 0E+0 0E+0 +UO3 = UO2+2 - 2 H+ + H2O + log_k 9.52 + delta_h -92.42 #kJ/mol +# Enthalpy of formation: -1212.410 kJ/mol 03GUI/FAN + -analytic -66.71289E-1 00E+0 48.27433E+2 00E+0 00E+0 UO3(beta) -UO3 = 1.000UO2+2 - 2.000H+ + 1.000H2O - log_k 8.300 - delta_h -84.530 #kJ/mol - # Enthalpy of formation: -1220.3 #kJ/mol #92GRE/FUG - -analytic -6.509E+0 0E+0 4.4153E+3 0E+0 0E+0 +UO3 = UO2+2 - 2 H+ + H2O + log_k 8.3 + delta_h -84.53 #kJ/mol +# Enthalpy of formation: -1220.300 kJ/mol 92GRE/FUG + -analytic -65.0902E-1 00E+0 44.15309E+2 00E+0 00E+0 + +UO3:0.9H2O(s) +UO3:0.9H2O = UO2+2 - 2 H+ + 1.9 H2O + log_k 5 + delta_h -55.777 #kJ/mol +# Enthalpy of formation: -1506.300 kJ/mol 92GRE/FUG + -analytic -47.71711E-1 00E+0 29.13436E+2 00E+0 00E+0 UO3Na(s) -UO3Na = 1.000Na+ + 1.000UO2+ - 2.000H+ + 1.000H2O - log_k 8.340 - delta_h -56.397 #kJ/mol - # Enthalpy of formation: -1494.9 #kJ/mol #92GRE/FUG - -analytic -1.54032E+0 0E+0 2.94582E+3 0E+0 0E+0 +UO3Na = Na+ + UO2+ - 2 H+ + H2O + log_k 8.34 + delta_h -56.397 #kJ/mol +# Enthalpy of formation: -1494.900 kJ/mol 92GRE/FUG + -analytic -15.4033E-1 00E+0 29.4582E+2 00E+0 00E+0 UO4Ba(s) -UO4Ba = 1.000Ba+2 + 1.000UO2+2 - 4.000H+ + 2.000H2O - log_k 17.640 - delta_h -131.660 #kJ/mol - # Enthalpy of formation: -1993.8 #kJ/mol #92GRE/FUG - -analytic -5.42581E+0 0E+0 6.87707E+3 0E+0 0E+0 +UO4Ba = Ba+2 + UO2+2 - 4 H+ + 2 H2O + log_k 17.64 + delta_h -131.66 #kJ/mol +# Enthalpy of formation: -1993.800 kJ/mol 92GRE/FUG + -analytic -54.25842E-1 00E+0 68.77081E+2 00E+0 00E+0 UO4Ca(cr) -UO4Ca = 1.000Ca+2 + 1.000UO2+2 - 4.000H+ + 2.000H2O - log_k 15.930 - delta_h -131.360 #kJ/mol - # Enthalpy of formation: -2002.3 #kJ/mol #92GRE/FUG - -analytic -7.08325E+0 0E+0 6.8614E+3 0E+0 0E+0 +UO4Ca = Ca+2 + UO2+2 - 4 H+ + 2 H2O + log_k 15.93 + delta_h -131.36 #kJ/mol +# Enthalpy of formation: -2002.300 kJ/mol 92GRE/FUG + -analytic -70.83284E-1 00E+0 68.61411E+2 00E+0 00E+0 UO4Li2(s) -UO4Li2 = 2.000Li+ + 1.000UO2+2 - 4.000H+ + 2.000H2O - log_k 27.940 - delta_h -179.400 #kJ/mol - # Enthalpy of formation: -1968.2 #kJ/mol #92GRE/FUG - -analytic -3.48948E+0 0E+0 9.3707E+3 0E+0 0E+0 +UO4Li2 = UO2+2 - 4 H+ + 2 H2O + 2 Li+ + log_k 27.94 + delta_h -179.4 #kJ/mol +# Enthalpy of formation: -1968.200 kJ/mol 92GRE/FUG + -analytic -34.89531E-1 00E+0 93.70715E+2 00E+0 00E+0 UO4Mg(cr) -UO4Mg = 1.000Mg+2 + 1.000UO2+2 - 4.000H+ + 2.000H2O - log_k 23.230 - delta_h -200.360 #kJ/mol - # Enthalpy of formation: -1857.3 #kJ/mol #92GRE/FUG - -analytic -1.18715E+1 0E+0 1.04655E+4 0E+0 0E+0 +UO4Mg = Mg+2 + UO2+2 - 4 H+ + 2 H2O + log_k 23.23 + delta_h -200.36 #kJ/mol +# Enthalpy of formation: -1857.300 kJ/mol 92GRE/FUG + -analytic -11.87157E+0 00E+0 10.46553E+3 00E+0 00E+0 UO4Na2(alfa) -UO4Na2 = 2.000Na+ + 1.000UO2+2 - 4.000H+ + 2.000H2O - log_k 30.030 - delta_h -173.640 #kJ/mol - # Enthalpy of formation: -1897.7 #kJ/mol #92GRE/FUG - -analytic -3.90378E-1 0E+0 9.06984E+3 0E+0 0E+0 +UO4Na2 = 2 Na+ + UO2+2 - 4 H+ + 2 H2O + log_k 30.03 + delta_h -173.64 #kJ/mol +# Enthalpy of formation: -1897.700 kJ/mol 92GRE/FUG + -analytic -39.04222E-2 00E+0 90.69849E+2 00E+0 00E+0 UO4Na3(cr) -UO4Na3 = 3.000Na+ + 1.000UO2+ - 4.000H+ + 2.000H2O - log_k 56.280 - delta_h -293.807 #kJ/mol - # Enthalpy of formation: -2024 #kJ/mol #92GRE/FUG - -analytic 4.8073E+0 0E+0 1.53466E+4 0E+0 0E+0 +UO4Na3 = 3 Na+ + UO2+ - 4 H+ + 2 H2O + log_k 56.28 + delta_h -293.807 #kJ/mol +# Enthalpy of formation: -2024.000 kJ/mol 92GRE/FUG + -analytic 48.07223E-1 00E+0 15.34661E+3 00E+0 00E+0 UO4Sr(alfa) -UO4Sr = 1.000Sr+2 + 1.000UO2+2 - 4.000H+ + 2.000H2O - log_k 19.160 - delta_h -151.960 #kJ/mol - # Enthalpy of formation: -1989.6 #kJ/mol #92GRE/FUG - -analytic -7.46221E+0 0E+0 7.93741E+3 0E+0 0E+0 +UO4Sr = Sr+2 + UO2+2 - 4 H+ + 2 H2O + log_k 19.16 + delta_h -151.96 #kJ/mol +# Enthalpy of formation: -1989.600 kJ/mol 92GRE/FUG + -analytic -74.62249E-1 00E+0 79.37424E+2 00E+0 00E+0 UO6Ba3(cr) -UO6Ba3 = 3.000Ba+2 + 1.000UO2+2 - 8.000H+ + 4.000H2O - log_k 92.700 - delta_h -556.320 #kJ/mol - # Enthalpy of formation: -3210.4 #kJ/mol #92GRE/FUG - -analytic -4.76294E+0 0E+0 2.90586E+4 0E+0 0E+0 - -US2(cr) -US2 = 1.000U+4 - 2.000H+ + 2.000HS- - log_k -2.430 - delta_h -103.400 #kJ/mol - # Enthalpy of formation: -520.4 #kJ/mol #92GRE/FUG - -analytic -2.05449E+1 0E+0 5.40095E+3 0E+0 0E+0 - -USe2(beta) -USe2 = 1.000U+4 - 2.000H+ + 2.000HSe- - log_k 2.820 - delta_h -135.600 #kJ/mol - # Enthalpy of formation: -427 #kJ/mol #92GRE/FUG - -analytic -2.09361E+1 0E+0 7.08287E+3 0E+0 0E+0 +UO6Ba3 = 3 Ba+2 + UO2+2 - 8 H+ + 4 H2O + log_k 92.7 + delta_h -556.32 #kJ/mol +# Enthalpy of formation: -3210.400 kJ/mol 92GRE/FUG + -analytic -47.6308E-1 00E+0 29.05862E+3 00E+0 00E+0 Uraninite -UO2 = 1.000U+4 - 4.000H+ + 2.000H2O - log_k -4.850 - delta_h -77.860 #kJ/mol - # Enthalpy of formation: -1085 #kJ/mol #92GRE/FUG - -analytic -1.84905E+1 0E+0 4.06691E+3 0E+0 0E+0 +UO2 = U+4 - 4 H+ + 2 H2O + log_k -4.85 + delta_h -77.86 #kJ/mol +# Enthalpy of formation: -1085.000 kJ/mol 92GRE/FUG + -analytic -18.49049E+0 00E+0 40.66911E+2 00E+0 00E+0 Uranophane -Ca(UO2)2(SiO3OH)2:5H2O = 1.000Ca+2 + 2.000UO2+2 - 6.000H+ + 2.000H4(SiO4) + 5.000H2O - log_k 9.420 #92NGU/SIL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.42E+0 0E+0 0E+0 0E+0 0E+0 +Ca(UO2)2(SiO3OH)2:5H2O = Ca+2 + 2 UO2+2 - 6 H+ + 2 H4(SiO4) + 5 H2O + log_k 11.52 #20GRE/GAO + -analytic 11.52E+0 00E+0 00E+0 00E+0 00E+0 + +US2(cr) +US2 = U+4 - 2 H+ + 2 HS- + log_k -2.43 + delta_h -103.4 #kJ/mol +# Enthalpy of formation: -520.400 kJ/mol 92GRE/FUG + -analytic -20.5449E+0 00E+0 54.00958E+2 00E+0 00E+0 + +USe2(beta) +USe2 = U+4 - 2 H+ + 2 HSe- + log_k 2.82 + delta_h -135.6 #kJ/mol +# Enthalpy of formation: -427.000 kJ/mol 92GRE/FUG + -analytic -20.9361E+0 00E+0 70.82881E+2 00E+0 00E+0 Vaesite -NiS2 = 1.000Ni+2 + 2.000HS- - 1.000H2O + 0.500O2 - log_k -60.960 - delta_h 320.151 #kJ/mol - # Enthalpy of formation: -128 #kJ/mol #05GAM/BUG - -analytic -4.87203E+0 0E+0 -1.67226E+4 0E+0 0E+0 +NiS2 = Ni+2 - 2 H+ - 2 e- + 2 HS- + log_k -17.97 + delta_h 40.388 #kJ/mol +# Enthalpy of formation: -128.000 kJ/mol 05GAM/BUG + -analytic -10.89433E+0 00E+0 -21.09612E+2 00E+0 00E+0 Valentinite -Sb2O3 = 2.000Sb(OH)3 - 3.000H2O - log_k -8.480 #52GAY/GAR in 76BAE/MES - delta_h 18.500 #kJ/mol - # Enthalpy of formation: -708.77 #kJ/mol #62MAH in 03ZOT/SHI - -analytic -5.23894E+0 0E+0 -9.66321E+2 0E+0 0E+0 +Sb2O3 = 2 Sb(OH)3 - 3 H2O + log_k -8.48 + delta_h 18.474 #kJ/mol +# Enthalpy of formation: -708.770 kJ/mol 62MAH in 03ZOT/SHI + -analytic -52.43494E-1 00E+0 -96.49642E+1 00E+0 00E+0 Vaterite -CaCO3 = 1.000Ca+2 + 1.000CO3-2 - log_k -7.900 - delta_h -14.930 #kJ/mol - # Enthalpy of formation: -1203.3 #kJ/mol #87GAR/PAR - -analytic -1.05156E+1 0E+0 7.79847E+2 0E+0 0E+0 +CaCO3 = Ca+2 + CO3-2 + log_k -7.9 + delta_h -14.93 #kJ/mol +# Enthalpy of formation: -1203.300 kJ/mol 87GAR/PAR + -analytic -10.51562E+0 00E+0 77.98482E+1 00E+0 00E+0 + +Vermiculite_SO +(Ca0.445)(Si2.778Al1.222)(Al0.216Fe0.226Fe0.028Mg2.475)O10(OH)2 = 0.445 Ca+2 + 2.475 Mg+2 + 0.226 Fe+3 + 0.028 Fe+2 + 1.438 Al+3 - 10.888 H+ + 2.778 H4(SiO4) + 0.888 H2O + log_k 45.88 + delta_h -464.124 #kJ/mol +# Enthalpy of formation: -6034.410 kJ/mol 13GAI/BLA + -analytic -35.43103E+0 00E+0 24.24288E+3 00E+0 00E+0 + -Vm 148.36 Vermiculite-Ca -Ca0.43Mg3Si3.14Al0.86O10(OH)2 = 0.430Ca+2 + 3.000Mg+2 + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) - 0.560H2O - log_k 39.550 - delta_h -377.538 #kJ/mol - # Enthalpy of formation: -6148.06 #kJ/mol #15BLA/VIE - -analytic -2.65917E+1 0E+0 1.97202E+4 0E+0 0E+0 +Ca0.43Mg3Si3.14Al0.86O10(OH)2 = 0.43 Ca+2 + 3 Mg+2 + 0.86 Al+3 - 9.44 H+ + 3.14 H4(SiO4) - 0.56 H2O + log_k 39.55 + delta_h -377.538 #kJ/mol +# Enthalpy of formation: -6148.060 kJ/mol 15BLA/VIE + -analytic -26.59182E+0 00E+0 19.72018E+3 00E+0 00E+0 + -Vm 149.8 Vermiculite-K -K0.86Mg3.00Si3.14Al0.86O10(OH)2 = 3.000Mg+2 + 0.860K+ + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) - 0.560H2O - log_k 37.440 - delta_h -335.539 #kJ/mol - # Enthalpy of formation: -6173.41 #kJ/mol #15BLA/VIE - -analytic -2.13438E+1 0E+0 1.75264E+4 0E+0 0E+0 +K0.86Mg3Si3.14Al0.86O10(OH)2 = 3 Mg+2 + 0.86 K+ + 0.86 Al+3 - 9.44 H+ + 3.14 H4(SiO4) - 0.56 H2O + log_k 37.44 + delta_h -335.539 #kJ/mol +# Enthalpy of formation: -6173.410 kJ/mol 15BLA/VIE + -analytic -21.34391E+0 00E+0 17.52642E+3 00E+0 00E+0 + -Vm 147.56 Vermiculite-Mg -Mg0.43Mg3Si3.14Al0.86O10(OH)2 = 3.430Mg+2 + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) - 0.560H2O - log_k 38.040 - delta_h -379.808 #kJ/mol - # Enthalpy of formation: -6113.11 #kJ/mol #15BLA/VIE - -analytic -2.84994E+1 0E+0 1.98387E+4 0E+0 0E+0 +Mg0.43Mg3Si3.14Al0.86O10(OH)2 = 3.43 Mg+2 + 0.86 Al+3 - 9.44 H+ + 3.14 H4(SiO4) - 0.56 H2O + log_k 38.04 + delta_h -379.808 #kJ/mol +# Enthalpy of formation: -6113.110 kJ/mol 15BLA/VIE + -analytic -28.49951E+0 00E+0 19.83875E+3 00E+0 00E+0 + -Vm 139.69 Vermiculite-Na -Na0.86Mg3.00Si3.14Al0.86O10(OH)2 = 3.000Mg+2 + 0.860Na+ + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) - 0.560H2O - log_k 38.390 - delta_h -355.541 #kJ/mol - # Enthalpy of formation: -6143.26 #kJ/mol #15BLA/VIE - -analytic -2.3898E+1 0E+0 1.85712E+4 0E+0 0E+0 - -Vermiculite_SO -(Ca0.445)(Si2.778Al1.222)(Al0.216Fe0.226Fe0.028Mg2.475)O10(OH)2 = 0.445Ca+2 + 2.475Mg+2 + 0.226Fe+3 + 1.438Al+3 + 2.778H4(SiO4) + 0.028Fe+2 + 0.888H2O - 10.888H+ - log_k 45.910 - delta_h -463.877 #kJ/mol - # Enthalpy of formation: -6034.41 #kJ/mol #13GAI/BLA - -analytic -3.53576E+1 0E+0 2.42299E+4 0E+0 0E+0 +Na0.86Mg3Si3.14Al0.86O10(OH)2 = 3 Mg+2 + 0.86 Na+ + 0.86 Al+3 - 9.44 H+ + 3.14 H4(SiO4) - 0.56 H2O + log_k 38.39 + delta_h -355.541 #kJ/mol +# Enthalpy of formation: -6143.260 kJ/mol 15BLA/VIE + -analytic -23.89811E+0 00E+0 18.5712E+3 00E+0 00E+0 + -Vm 145.71 Vivianite -Fe3(PO4)2:8H2O = 3.000Fe+2 - 4.000H+ + 2.000H2(PO4)- + 8.000H2O - log_k 3.120 - delta_h -9.561 #kJ/mol - # Enthalpy of formation: -5152.279 #kJ/mol - -analytic 1.44499E+0 0E+0 4.99405E+2 0E+0 0E+0 +Fe3(PO4)2:8H2O = 3 Fe+2 - 4 H+ + 2 H2(PO4)- + 8 H2O + log_k 3.12 #20LEM/PAL + -analytic 31.2E-1 00E+0 00E+0 00E+0 00E+0 Wairakite -CaAl2Si4O12:2H2O = 1.000Ca+2 + 2.000Al+3 - 8.000H+ + 4.000H4(SiO4) - 2.000H2O - log_k 14.440 - delta_h -246.216 #kJ/mol - # Enthalpy of formation: -6646.7 #kJ/mol #96KIS/NAV - -analytic -2.86951E+1 0E+0 1.28607E+4 0E+0 0E+0 +CaAl2Si4O12:2H2O = Ca+2 + 2 Al+3 - 8 H+ + 4 H4(SiO4) - 2 H2O + log_k 14.42 + delta_h -246.216 #kJ/mol +# Enthalpy of formation: -6646.700 kJ/mol 96KIS/NAV + -analytic -28.71519E+0 00E+0 12.86076E+3 00E+0 00E+0 + -Vm 193.56 Witherite -Ba(CO3) = 1.000Ba+2 + 1.000CO3-2 - log_k -8.560 #86BUS/PLU - delta_h 2.941 #kJ/mol #86BUS/PLU - # Enthalpy of formation: -1212.971 #kJ/mol - -analytic -8.04476E+0 0E+0 -1.53619E+2 0E+0 0E+0 +Ba(CO3) = Ba+2 + CO3-2 + log_k -8.56 #86BUS/PLU + delta_h 2.941 #kJ/mol 86BUS/PLU +# Enthalpy of formation: -1212.971 kJ/mol + -analytic -80.44759E-1 00E+0 -15.36191E+1 00E+0 00E+0 Xonotlite -Ca6Si6O17(OH)2 = 6.000Ca+2 - 12.000H+ + 6.000H4(SiO4) - 5.000H2O - log_k 91.340 #10BLA/BOU1 - delta_h -573.864 #kJ/mol - # Enthalpy of formation: -10022.15 #kJ/mol #56NEW - -analytic -9.19651E+0 0E+0 2.9975E+4 0E+0 0E+0 +Ca6Si6O17(OH)2 = 6 Ca+2 - 12 H+ + 6 H4(SiO4) - 5 H2O + log_k 91.34 #10BLA/BOU1 + delta_h -573.864 #kJ/mol +# Enthalpy of formation: -10022.150kJ/mol 56NEW + -analytic -91.96657E-1 00E+0 29.975E+3 00E+0 00E+0 + -Vm 256.9 Zeolite_CaP -Ca2Al4Si4O16:9H2O = 2.000Ca+2 + 4.000Al+3 - 16.000H+ + 4.000H4(SiO4) + 9.000H2O - log_k 45.150 #09BLA - delta_h -527.736 #kJ/mol - # Enthalpy of formation: -11129.11 #kJ/mol #09BLA - -analytic -4.73052E+1 0E+0 2.75655E+4 0E+0 0E+0 +Ca2Al4Si4O16:9H2O = 2 Ca+2 + 4 Al+3 - 16 H+ + 4 H4(SiO4) + 9 H2O + log_k 45.15 #09BLA + delta_h -527.736 #kJ/mol +# Enthalpy of formation: -11129.110kJ/mol 09BLA + -analytic -47.30538E+0 00E+0 27.56557E+3 00E+0 00E+0 + -Vm 305.7 + +Zn(cr) +Zn = Zn+2 + 2 e- + log_k 25.79 + delta_h -153.39 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic -10.82774E-1 00E+0 80.12118E+2 00E+0 00E+0 Zn(SeO4):6H2O(s) -Zn(SeO4):6H2O = 1.000Zn+2 + 1.000SeO4-2 + 6.000H2O - log_k -1.538 #05OLI/NOL - delta_h -13.330 #kJ/mol - # Enthalpy of formation: -2458.54 #kJ/mol #05OLI/NOL - -analytic -3.87331E+0 0E+0 6.96273E+2 0E+0 0E+0 +Zn(SeO4):6H2O = Zn+2 + SeO4-2 + 6 H2O + log_k -1.54 #05OLI/NOL + delta_h -13.33 #kJ/mol +# Enthalpy of formation: -2458.540 kJ/mol 05OLI/NOL + -analytic -38.75316E-1 00E+0 69.62744E+1 00E+0 00E+0 Zn3(AsO4)2(s) -Zn3(AsO4)2 = 3.000Zn+2 + 2.000AsO4-3 - log_k -27.450 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.745E+1 0E+0 0E+0 0E+0 0E+0 +Zn3(AsO4)2 = 3 Zn+2 + 2 AsO4-3 + log_k -27.45 + -analytic -27.45E+0 00E+0 00E+0 00E+0 00E+0 ZnB2O4(s) -ZnB2O4 = 1.000Zn+2 + 2.000B(OH)4- - 4.000H2O - log_k -10.190 #91BAL/NOR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.019E+1 0E+0 0E+0 0E+0 0E+0 +ZnB2O4 = Zn+2 + 2 B(OH)4- - 4 H2O + log_k -10.19 #91BAL/NOR + -analytic -10.19E+0 00E+0 00E+0 00E+0 00E+0 + +Zr(cr) +Zr = 4 e- + Zr+4 + log_k 92.59 + delta_h -608.5 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 05BRO/CUR + -analytic -14.01462E+0 00E+0 31.78417E+3 00E+0 00E+0 Zr(HPO4)2(alfa) -Zr(HPO4)2 = - 2.000H+ + 2.000H2(PO4)- + 1.000Zr+4 - log_k -32.270 - delta_h -47.500 #kJ/mol - # Enthalpy of formation: -3166.2 #kJ/mol #05BRO/CUR - -analytic -4.05916E+1 0E+0 2.48109E+3 0E+0 0E+0 +Zr(HPO4)2 = -2 H+ + 2 H2(PO4)- + Zr+4 + log_k -32.27 + delta_h -47.5 #kJ/mol +# Enthalpy of formation: -3166.200 kJ/mol 05BRO/CUR + -analytic -40.59164E+0 00E+0 24.81098E+2 00E+0 00E+0 Zr(HPO4)2:H2O(cr) -Zr(HPO4)2:H2O = - 2.000H+ + 2.000H2(PO4)- + 1.000Zr+4 + 1.000H2O - log_k -27.080 #05BRO/CUR - delta_h -33.430 #kJ/mol - # Enthalpy of formation: -3466.1 #kJ/mol #05BRO/CUR - -analytic -3.29367E+1 0E+0 1.74617E+3 0E+0 0E+0 +Zr(HPO4)2:H2O = -2 H+ + 2 H2(PO4)- + Zr+4 + H2O + log_k -27.08 #05BRO/CUR + delta_h -33.43 #kJ/mol +# Enthalpy of formation: -3466.100 kJ/mol 05BRO/CUR + -analytic -32.93668E+0 00E+0 17.46171E+2 00E+0 00E+0 Zr(OH)4(am,aged) -Zr(OH)4 = - 4.000H+ + 1.000Zr+4 + 4.000H2O - log_k -5.550 #Recalculated from 04EKB/KAL in 05BRO/CUR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.55E+0 0E+0 0E+0 0E+0 0E+0 +Zr(OH)4 = -4 H+ + Zr+4 + 4 H2O + log_k -5.55 #Recalculated from 04EKB/KAL in 05BRO/CUR + -analytic -55.5E-1 00E+0 00E+0 00E+0 00E+0 Zr(OH)4(am,fresh) -Zr(OH)4 = - 4.000H+ + 1.000Zr+4 + 4.000H2O - log_k -3.240 #05BRO/CUR - delta_h -89.620 #kJ/mol - # Enthalpy of formation: -1662.2 #kJ/mol #05BRO/CUR - -analytic -1.89407E+1 0E+0 4.68117E+3 0E+0 0E+0 +Zr(OH)4 = -4 H+ + Zr+4 + 4 H2O + log_k -3.24 #05BRO/CUR + delta_h -89.62 #kJ/mol +# Enthalpy of formation: -1662.200 kJ/mol 05BRO/CUR + -analytic -18.94075E+0 00E+0 46.81179E+2 00E+0 00E+0 Zr(SO4)2(cr) -Zr(SO4)2 = 2.000SO4-2 + 1.000Zr+4 - log_k 1.240 - delta_h -181.980 #kJ/mol - # Enthalpy of formation: -2245.2 #kJ/mol #05BRO/CUR - -analytic -3.06415E+1 0E+0 9.50546E+3 0E+0 0E+0 +Zr(SO4)2 = 2 SO4-2 + Zr+4 + log_k 1.24 + delta_h -181.98 #kJ/mol +# Enthalpy of formation: -2245.200 kJ/mol 05BRO/CUR + -analytic -30.64153E+0 00E+0 95.05477E+2 00E+0 00E+0 Zr(SO4)2:4H2O(s) -Zr(SO4)2:4H2O = 2.000SO4-2 + 1.000Zr+4 + 4.000H2O - log_k -7.650 - delta_h -99.600 #kJ/mol - # Enthalpy of formation: -3470.9 #kJ/mol #05BRO/CUR - -analytic -2.50991E+1 0E+0 5.20246E+3 0E+0 0E+0 - -Zr(cr) -Zr = 1.000Zr+4 + 2.000H2O - 4.000H+ - 1.000O2 - log_k 178.570 - delta_h -1168.026 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #05BRO/CUR - -analytic -2.60591E+1 0E+0 6.10102E+4 0E+0 0E+0 +Zr(SO4)2:4H2O = 2 SO4-2 + Zr+4 + 4 H2O + log_k -7.65 + delta_h -99.6 #kJ/mol +# Enthalpy of formation: -3470.900 kJ/mol 05BRO/CUR + -analytic -25.09917E+0 00E+0 52.0247E+2 00E+0 00E+0 ZrBr4(cr) -ZrBr4 = 4.000Br- + 1.000Zr+4 - log_k 38.520 - delta_h -334.640 #kJ/mol - # Enthalpy of formation: -759.5 #kJ/mol #05BRO/CUR - -analytic -2.01063E+1 0E+0 1.74794E+4 0E+0 0E+0 +ZrBr4 = 4 Br- + Zr+4 + log_k 38.52 + delta_h -334.64 #kJ/mol +# Enthalpy of formation: -759.500 kJ/mol 05BRO/CUR + -analytic -20.10641E+0 00E+0 17.47946E+3 00E+0 00E+0 ZrCl(s) -ZrCl = 1.000Cl- + 1.000Zr+4 + 1.500H2O - 3.000H+ - 0.750O2 - log_k 133.725 - delta_h -904.025 #kJ/mol - # Enthalpy of formation: -291.2 #kJ/mol #05BRO/CUR - -analytic -2.46531E+1 0E+0 4.72204E+4 0E+0 0E+0 +ZrCl = 3 e- + Cl- + Zr+4 + log_k 69.24 + delta_h -484.38 #kJ/mol +# Enthalpy of formation: -291.200 kJ/mol 05BRO/CUR + -analytic -15.61973E+0 00E+0 25.30093E+3 00E+0 00E+0 ZrCl2(s) -ZrCl2 = 2.000Cl- + 1.000Zr+4 + 1.000H2O - 2.000H+ - 0.500O2 - log_k 94.640 - delta_h -679.623 #kJ/mol - # Enthalpy of formation: -542.8 #kJ/mol #05BRO/CUR - -analytic -2.44247E+1 0E+0 3.54991E+4 0E+0 0E+0 +ZrCl2 = 2 e- + 2 Cl- + Zr+4 + log_k 51.65 + delta_h -399.86 #kJ/mol +# Enthalpy of formation: -542.800 kJ/mol 05BRO/CUR + -analytic -18.40246E+0 00E+0 20.88614E+3 00E+0 00E+0 ZrCl3(s) -ZrCl3 = 3.000Cl- + 1.000Zr+4 + 0.500H2O - 1.000H+ - 0.250O2 - log_k 62.215 - delta_h -489.522 #kJ/mol - # Enthalpy of formation: -760.1 #kJ/mol #05BRO/CUR - -analytic -2.35454E+1 0E+0 2.55695E+4 0E+0 0E+0 +ZrCl3 = e- + 3 Cl- + Zr+4 + log_k 40.72 + delta_h -349.64 #kJ/mol +# Enthalpy of formation: -760.100 kJ/mol 05BRO/CUR + -analytic -20.5343E+0 00E+0 18.26297E+3 00E+0 00E+0 ZrCl4(s) -ZrCl4 = 4.000Cl- + 1.000Zr+4 - log_k 28.600 - delta_h -296.020 #kJ/mol - # Enthalpy of formation: -980.8 #kJ/mol #05BRO/CUR - -analytic -2.32604E+1 0E+0 1.54622E+4 0E+0 0E+0 +ZrCl4 = 4 Cl- + Zr+4 + log_k 28.6 + delta_h -296.02 #kJ/mol +# Enthalpy of formation: -980.800 kJ/mol 05BRO/CUR + -analytic -23.26048E+0 00E+0 15.4622E+3 00E+0 00E+0 ZrF2(s) -ZrF2 = 2.000F- + 1.000Zr+4 + 1.000H2O - 2.000H+ - 0.500O2 - log_k 75.600 - delta_h -602.963 #kJ/mol - # Enthalpy of formation: -956 #kJ/mol #97VIS/COR - -analytic -3.00344E+1 0E+0 3.14949E+4 0E+0 0E+0 +ZrF2 = 2 e- + 2 F- + Zr+4 + log_k 32.61 + delta_h -323.2 #kJ/mol +# Enthalpy of formation: -956.000 kJ/mol 97VIS/COR + -analytic -24.01221E+0 00E+0 16.88191E+3 00E+0 00E+0 ZrF3(s) -ZrF3 = 3.000F- + 1.000Zr+4 + 0.500H2O - 1.000H+ - 0.250O2 - log_k 24.295 - delta_h -321.432 #kJ/mol - # Enthalpy of formation: -1433 #kJ/mol #97VIS/COR - -analytic -3.20173E+1 0E+0 1.67895E+4 0E+0 0E+0 +ZrF3 = e- + 3 F- + Zr+4 + log_k 2.8 + delta_h -181.55 #kJ/mol +# Enthalpy of formation: -1433.000 kJ/mol 97VIS/COR + -analytic -29.00619E+0 00E+0 94.83017E+2 00E+0 00E+0 ZrF4(beta) -ZrF4 = 4.000F- + 1.000Zr+4 - log_k -27.250 - delta_h -38.600 #kJ/mol - # Enthalpy of formation: -1911.3 #kJ/mol #05BRO/CUR - -analytic -3.40124E+1 0E+0 2.01622E+3 0E+0 0E+0 +ZrF4 = 4 F- + Zr+4 + log_k -27.25 + delta_h -38.6 #kJ/mol +# Enthalpy of formation: -1911.300 kJ/mol 05BRO/CUR + -analytic -34.01243E+0 00E+0 20.16218E+2 00E+0 00E+0 ZrI4(cr) -ZrI4 = 4.000I- + 1.000Zr+4 - log_k 44.590 - delta_h -346.720 #kJ/mol - # Enthalpy of formation: -488.9 #kJ/mol #05BRO/CUR - -analytic -1.61526E+1 0E+0 1.81104E+4 0E+0 0E+0 +ZrI4 = 4 I- + Zr+4 + log_k 44.59 + delta_h -346.72 #kJ/mol +# Enthalpy of formation: -488.900 kJ/mol 05BRO/CUR + -analytic -16.15274E+0 00E+0 18.11045E+3 00E+0 00E+0 ZrO2(cr) -ZrO2 = - 4.000H+ + 1.000Zr+4 + 2.000H2O - log_k -7.000 - delta_h -79.560 #kJ/mol - # Enthalpy of formation: -1100.6 #kJ/mol #05BRO/CUR - -analytic -2.09383E+1 0E+0 4.1557E+3 0E+0 0E+0 +ZrO2 = -4 H+ + Zr+4 + 2 H2O + log_k -7 + delta_h -79.56 #kJ/mol +# Enthalpy of formation: -1100.600 kJ/mol 05BRO/CUR + -analytic -20.93831E+0 00E+0 41.55708E+2 00E+0 00E+0 ZrSiO4(s) -ZrSiO4 = - 4.000H+ + 1.000H4(SiO4) + 1.000Zr+4 - log_k -14.360 - delta_h -35.494 #kJ/mol - # Enthalpy of formation: -2034.2 #kJ/mol #05BRO/CUR - -analytic -2.05783E+1 0E+0 1.85398E+3 0E+0 0E+0 - -illite-FeIII -K0.85Fe0.25Al2.6Si3.15O10(OH)2 = 0.850K+ + 0.250Fe+3 + 2.600Al+3 - 9.400H+ + 3.150H4(SiO4) - 0.600H2O - log_k 12.370 - delta_h -262.282 #kJ/mol - # Enthalpy of formation: -5795.39 #kJ/mol #15BLA/VIE - -analytic -3.35798E+1 0E+0 1.36999E+4 0E+0 0E+0 - - +ZrSiO4 = -4 H+ + H4(SiO4) + Zr+4 + log_k -14.36 + delta_h -35.494 #kJ/mol +# Enthalpy of formation: -2034.200 kJ/mol 05BRO/CUR + -analytic -20.57828E+0 00E+0 18.53981E+2 00E+0 00E+0 # PMATCH GASES CH4(g) -CH4 = 2.000H+ + 1.000CO3-2 + 1.000H2O - 2.000O2 - log_k 130.910 - delta_h -861.919 #kJ/mol - # Enthalpy of formation: -74.873 #kJ/mol #98CHA - -analytic -2.00915E+1 0E+0 4.50211E+4 0E+0 0E+0 +CH4 = 10 H+ + 8 e- + CO3-2 - 3 H2O + log_k -41.05 + delta_h 257.133 #kJ/mol +# Enthalpy of formation: -74.873 kJ/mol 98CHA + -analytic 39.97768E-1 00E+0 -13.43099E+3 00E+0 00E+0 + +Cl2(g) +Cl2 = -2 e- + 2 Cl- + log_k 45.98 + delta_h -334.16 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic -12.56232E+0 00E+0 17.45439E+3 00E+0 00E+0 CO(g) -CO = 2.000H+ + 1.000CO3-2 - 1.000H2O - 0.500O2 - log_k 28.350 - delta_h -272.803 #kJ/mol - # Enthalpy of formation: -110.53 #kJ/mol #89COX/WAG - -analytic -1.9443E+1 0E+0 1.42495E+4 0E+0 0E+0 +CO = 4 H+ + 2 e- + CO3-2 - 2 H2O + log_k -14.64 + delta_h 6.96 #kJ/mol +# Enthalpy of formation: -110.530 kJ/mol 89COX/WAG + -analytic -13.42066E+0 00E+0 -36.35461E+1 00E+0 00E+0 CO2(g) -CO2 = 2.000H+ + 1.000CO3-2 - 1.000H2O - log_k -18.150 - delta_h 4.110 #kJ/mol - # Enthalpy of formation: -393.51 #kJ/mol #89COX/WAG - -analytic -1.743E+1 0E+0 -2.1468E+2 0E+0 0E+0 - -Cl2(g) -Cl2 = 2.000Cl- - 1.000H2O + 2.000H+ + 0.500O2 - log_k 2.990 - delta_h -54.397 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #89COX/WAG - -analytic -6.53993E+0 0E+0 2.84135E+3 0E+0 0E+0 +CO2 = 2 H+ + CO3-2 - H2O + log_k -18.15 + delta_h 4.11 #kJ/mol +# Enthalpy of formation: -393.510 kJ/mol 89COX/WAG + -analytic -17.42996E+0 00E+0 -21.46803E+1 00E+0 00E+0 + +F2(g) +F2 = -2 e- + 2 F- + log_k 98.64 + delta_h -670.7 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic -18.8616E+0 00E+0 35.0331E+3 00E+0 00E+0 H2(g) -H2 = 1.000H2O - 0.500O2 - log_k 42.990 - delta_h -279.763 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #89COX/WAG - -analytic -6.0223E+0 0E+0 1.4613E+4 0E+0 0E+0 +H2 = 2 H+ + 2 e- + log_k 0 + delta_h 0 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 H2O(g) -H2O = 1.000H2O - log_k 1.500 - delta_h -44.004 #kJ/mol - # Enthalpy of formation: -241.826 #kJ/mol #89COX/WAG - -analytic -6.20916E+0 0E+0 2.29849E+3 0E+0 0E+0 +H2O = 2 H+ + 2 e- + 0.5 O2 + log_k -41.5 + delta_h 235.759 #kJ/mol +# Enthalpy of formation: -241.826 kJ/mol 89COX/WAG + -analytic -19.67962E-2 00E+0 -12.31455E+3 00E+0 00E+0 H2S(g) -H2S = 1.000H+ + 1.000HS- - log_k -8.000 - delta_h 4.300 #kJ/mol - # Enthalpy of formation: -20.6 #kJ/mol #89COX/WAG - -analytic -7.24667E+0 0E+0 -2.24604E+2 0E+0 0E+0 +H2S = H+ + HS- + log_k -8 + delta_h 4.3 #kJ/mol +# Enthalpy of formation: -20.600 kJ/mol 89COX/WAG + -analytic -72.46672E-1 00E+0 -22.46046E+1 00E+0 00E+0 HCl(g) -HCl = 1.000H+ + 1.000Cl- - log_k 6.290 - delta_h -74.770 #kJ/mol - # Enthalpy of formation: -92.31 #kJ/mol #89COX/WAG - -analytic -6.80912E+0 0E+0 3.9055E+3 0E+0 0E+0 +HCl = H+ + Cl- + log_k 6.29 + delta_h -74.77 #kJ/mol +# Enthalpy of formation: -92.310 kJ/mol 89COX/WAG + -analytic -68.09142E-1 00E+0 39.05509E+2 00E+0 00E+0 + +Hg(CH3)2(g) +Hg(CH3)2 = -2 H+ + 2 CH4 + Hg+2 + log_k -8.82 #18BLA/BUR + -analytic -88.2E-1 00E+0 00E+0 00E+0 00E+0 + +N2(g) +N2 = 12 H+ + 10 e- + 2 NO3- - 6 H2O + log_k -210.45 + delta_h 1301.28 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic 17.52447E+0 00E+0 -67.97059E+3 00E+0 00E+0 O2(g) -O2 = 1.000O2 - log_k -2.900 - delta_h -12.134 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol - -analytic -5.02578E+0 0E+0 6.33802E+2 0E+0 0E+0 +O2 = O2 + log_k -2.9 + delta_h -12.134 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic -50.25786E-1 00E+0 63.3803E+1 00E+0 00E+0 SO2(g) -SO2 = 2.000H+ + 1.000SO3-2 - 1.000H2O - log_k -8.940 - delta_h -48.420 #kJ/mol - # Enthalpy of formation: -296.81 #kJ/mol #89COX/WAG - -analytic -1.74228E+1 0E+0 2.52915E+3 0E+0 0E+0 +SO2 = 2 H+ + SO3-2 - H2O + log_k -8.94 + delta_h -48.42 #kJ/mol +# Enthalpy of formation: -296.810 kJ/mol 89COX/WAG + -analytic -17.42282E+0 00E+0 25.29153E+2 00E+0 00E+0 diff --git a/src/phreeqcinwt/databases/wateq4f.dat b/src/phreeqcinwt/databases/wateq4f.dat index 8461c4b..3e69cd8 100644 --- a/src/phreeqcinwt/databases/wateq4f.dat +++ b/src/phreeqcinwt/databases/wateq4f.dat @@ -1,1397 +1,1401 @@ -# $Id$ +# File 1 = C:\GitPrograms\phreeqc3-1\database\wateq4f.dat, 15/03/2024 15:31, 4032 lines, 106804 bytes, md5=b01313c8049bbc106fe5ce9b15afa3e2 +# Created 17 May 2024 14:30:45 +# c:\3rdParty\lsp\lsp.exe -f2 -k="asis" -ts "wateq4f.dat" + +# $Id$ # Revised arsenic data from Archer and Nordstrom (2002) SOLUTION_MASTER_SPECIES -Ag Ag+ 0.0 107.868 107.868 -Al Al+3 0.0 26.9815 26.9815 -Alkalinity CO3-2 1.0 50.05 50.05 -As H3AsO4 -1.0 74.9216 74.9216 -As(+3) H3AsO3 0.0 74.9216 74.9216 -As(+5) H3AsO4 -1.0 74.9216 -B H3BO3 0.0 10.81 10.81 -Ba Ba+2 0.0 137.34 137.34 -Br Br- 0.0 79.904 79.904 -C CO3-2 2.0 61.0173 12.0111 -C(+4) CO3-2 2.0 61.0173 -C(-4) CH4 0.0 16.042 -Ca Ca+2 0.0 40.08 40.08 -Cd Cd+2 0.0 112.4 112.4 -Cl Cl- 0.0 35.453 35.453 -Cs Cs+ 0.0 132.905 132.905 -Cu Cu+2 0.0 63.546 63.546 -Cu(+1) Cu+1 0.0 63.546 -Cu(+2) Cu+2 0.0 63.546 -E e- 0.0 0.0 0.0 -F F- 0.0 18.9984 18.9984 -Fe Fe+2 0.0 55.847 55.847 -Fe(+2) Fe+2 0.0 55.847 -Fe(+3) Fe+3 -2.0 55.847 -Fulvate Fulvate-2 0.0 650. 650. -H H+ -1. 1.008 1.008 -H(0) H2 0.0 1.008 -H(1) H+ -1. 1.008 -Humate Humate-2 0.0 2000. 2000. -I I- 0.0 126.9044 126.9044 -K K+ 0.0 39.102 39.102 -Li Li+ 0.0 6.939 6.939 -Mg Mg+2 0.0 24.312 24.312 -Mn Mn+2 0.0 54.938 54.938 -Mn(2) Mn+2 0.0 54.938 -Mn(3) Mn+3 0.0 54.938 -Mn(6) MnO4-2 0.0 54.938 -Mn(7) MnO4- 0.0 54.938 -N NO3- 0.0 14.0067 14.0067 -N(-3) NH4+ 0.0 14.0067 -N(0) N2 0.0 14.0067 -N(+3) NO2- 0.0 14.0067 -N(+5) NO3- 0.0 14.0067 -Na Na+ 0.0 22.9898 22.9898 -Ni Ni+2 0.0 58.71 58.71 -O H2O 0.0 16.00 16.00 -O(-2) H2O 0.0 18.016 -O(0) O2 0.0 16.00 -P PO4-3 2.0 30.9738 30.9738 -Pb Pb+2 0.0 207.19 207.19 -Rb Rb+ 0.0 85.47 85.47 -S SO4-2 0.0 96.0616 32.064 -S(-2) H2S 0.0 32.064 -S(6) SO4-2 0.0 96.0616 -Se SeO4-2 0.0 78.96 78.96 -Se(-2) HSe- 0.0 78.96 -Se(4) SeO3-2 0.0 78.96 -Se(6) SeO4-2 0.0 78.96 -Si H4SiO4 0.0 60.0843 28.0843 -Sr Sr+2 0.0 87.62 87.62 -Zn Zn+2 0.0 65.37 65.37 -U UO2+2 0.0 238.0290 238.0290 -U(3) U+3 0.0 238.0290 238.0290 -U(4) U+4 0.0 238.0290 238.0290 -U(5) UO2+ 0.0 238.0290 238.0290 -U(6) UO2+2 0.0 238.0290 238.0290 +Ag Ag+ 0 107.868 107.868 +Al Al+3 0 26.9815 26.9815 +Alkalinity CO3-2 1 50.05 50.05 +As H3AsO4 -1 74.9216 74.9216 +As(+3) H3AsO3 0 74.9216 74.9216 +As(+5) H3AsO4 -1 74.9216 +B H3BO3 0 10.81 10.81 +Ba Ba+2 0 137.34 137.34 +Br Br- 0 79.904 79.904 +C CO3-2 2 61.0173 12.0111 +C(+4) CO3-2 2 61.0173 +C(-4) CH4 0 16.042 +Ca Ca+2 0 40.08 40.08 +Cd Cd+2 0 112.4 112.4 +Cl Cl- 0 35.453 35.453 +Cs Cs+ 0 132.905 132.905 +Cu Cu+2 0 63.546 63.546 +Cu(+1) Cu+1 0 63.546 +Cu(+2) Cu+2 0 63.546 +E e- 1 0 0 +F F- 0 18.9984 18.9984 +Fe Fe+2 0 55.847 55.847 +Fe(+2) Fe+2 0 55.847 +Fe(+3) Fe+3 -2 55.847 +Fulvate Fulvate-2 0 650 650 +H H+ -1 1.008 1.008 +H(0) H2 0 1.008 +H(1) H+ -1 1.008 +Humate Humate-2 0 2000 2000 +I I- 0 126.9044 126.9044 +K K+ 0 39.102 39.102 +Li Li+ 0 6.939 6.939 +Mg Mg+2 0 24.312 24.312 +Mn Mn+2 0 54.938 54.938 +Mn(2) Mn+2 0 54.938 +Mn(3) Mn+3 0 54.938 +Mn(6) MnO4-2 0 54.938 +Mn(7) MnO4- 0 54.938 +N NO3- 0 14.0067 14.0067 +N(-3) NH4+ 0 14.0067 +N(0) N2 0 14.0067 +N(+3) NO2- 0 14.0067 +N(+5) NO3- 0 14.0067 +Na Na+ 0 22.9898 22.9898 +Ni Ni+2 0 58.71 58.71 +O H2O 0 16 16 +O(-2) H2O 0 18.016 +O(0) O2 0 16 +P PO4-3 2 30.9738 30.9738 +Pb Pb+2 0 207.19 207.19 +Rb Rb+ 0 85.47 85.47 +S SO4-2 0 96.0616 32.064 +S(-2) H2S 0 32.064 +S(6) SO4-2 0 96.0616 +Se SeO4-2 0 78.96 78.96 +Se(-2) HSe- 0 78.96 +Se(4) SeO3-2 0 78.96 +Se(6) SeO4-2 0 78.96 +Si H4SiO4 0 60.0843 28.0843 +Sr Sr+2 0 87.62 87.62 +Zn Zn+2 0 65.37 65.37 +U UO2+2 0 238.029 238.029 +U(3) U+3 0 238.029 238.029 +U(4) U+4 0 238.029 238.029 +U(5) UO2+ 0 238.029 238.029 +U(6) UO2+2 0 238.029 238.029 SOLUTION_SPECIES #H+ primary master species H+ = H+ - log_k 0.0 - -gamma 9.0 0.0 + log_k 0 + -gamma 9 0 #e- primary master species e- = e- - log_k 0.0 + log_k 0 #H2O primary master species H2O = H2O - log_k 0.0 + log_k 0 #Ag+ primary master species Ag+ = Ag+ - log_k 0.0 + log_k 0 #Al+3 primary master species Al+3 = Al+3 - log_k 0.0 - -gamma 9.0 0.0 + log_k 0 + -gamma 9 0 #H3AsO4 primary master species H3AsO4 = H3AsO4 - log_k 0.0 + log_k 0 #H3BO3 primary master species H3BO3 = H3BO3 - log_k 0.0 + log_k 0 #Ba+2 primary master species Ba+2 = Ba+2 - log_k 0.0 - -gamma 5.0 0.0 + log_k 0 + -gamma 5 0 #Br- primary master species Br- = Br- - log_k 0.0 + log_k 0 #CO3-2 primary master species CO3-2 = CO3-2 - log_k 0.0 - -gamma 5.4 0.0 + log_k 0 + -gamma 5.4 0 #Ca+2 primary master species Ca+2 = Ca+2 - log_k 0.0 - -gamma 5.0 0.165 + log_k 0 + -gamma 5 0.165 #Cd+2 primary master species Cd+2 = Cd+2 - log_k 0.0 + log_k 0 #Cl- primary master species Cl- = Cl- - log_k 0.0 - -gamma 3.5 0.015 + log_k 0 + -gamma 3.5 0.015 #Cs+ primary master species Cs+ = Cs+ - log_k 0.0 + log_k 0 #Cu+2 primary master species Cu+2 = Cu+2 - log_k 0.0 - -gamma 6.0 0.0 + log_k 0 + -gamma 6 0 #F- primary master species F- = F- - log_k 0.0 - -gamma 3.5 0.0 + log_k 0 + -gamma 3.5 0 #Fe+2 primary master species Fe+2 = Fe+2 - log_k 0.0 - -gamma 6.0 0.0 - + log_k 0 + -gamma 6 0 + #Fulvate-2 primary master species Fulvate-2 = Fulvate-2 - log_k 0.0 + log_k 0 #Humate-2 primary master species Humate-2 = Humate-2 - log_k 0.0 + log_k 0 #I- primary master species I- = I- - log_k 0.0 + log_k 0 #K+ primary master species K+ = K+ - log_k 0.0 - -gamma 3.5 0.015 + log_k 0 + -gamma 3.5 0.015 #Li+ primary master species Li+ = Li+ - log_k 0.0 - -gamma 6.0 0.0 + log_k 0 + -gamma 6 0 #Mg+2 primary master species Mg+2 = Mg+2 - log_k 0.0 - -gamma 5.5 0.200 + log_k 0 + -gamma 5.5 0.2 #Mn+2 primary master species Mn+2 = Mn+2 - log_k 0.0 - -gamma 6.0 0.0 + log_k 0 + -gamma 6 0 #NO3- primary master species NO3- = NO3- - log_k 0.0 - -gamma 3.0 0.0 + log_k 0 + -gamma 3 0 #Na+ primary master species Na+ = Na+ - log_k 0.0 - -gamma 4.0 0.075 + log_k 0 + -gamma 4 0.075 #Ni+2 primary master species Ni+2 = Ni+2 - log_k 0.0 + log_k 0 #PO4-3 primary master species PO4-3 = PO4-3 - log_k 0.0 - -gamma 5.0 0.0 + log_k 0 + -gamma 5 0 #Pb+2 primary master species Pb+2 = Pb+2 - log_k 0.0 + log_k 0 #Rb+ primary master species Rb+ = Rb+ - log_k 0.0 + log_k 0 #SO4-2 primary master species SO4-2 = SO4-2 - log_k 0.0 - -gamma 5.0 -0.040 + log_k 0 + -gamma 5 -0.04 #SeO4-2 primary master species SeO4-2 = SeO4-2 - log_k 0.0 + log_k 0 #H4SiO4 primary master species H4SiO4 = H4SiO4 - log_k 0.0 + log_k 0 #Sr+2 primary master species Sr+2 = Sr+2 - log_k 0.0 - -gamma 5.26 0.121 + log_k 0 + -gamma 5.26 0.121 #UO2+2 primary master species UO2+2 = UO2+2 - log_k 0.0 + log_k 0 #Zn+2 primary master species Zn+2 = Zn+2 - log_k 0.0 - -gamma 6.0 0.0 + log_k 0 + -gamma 6 0 #Fe+3 secondary master species 0 - Fe+2 = Fe+3 + e- - log_k -13.020 - delta_h 9.680 kcal - -gamma 9.0 0.0 + Fe+2 = Fe+3 + e- + log_k -13.02 + delta_h 9.68 kcal + -gamma 9 0 #FeOH+2 1 - Fe+3 + H2O = FeOH+2 + H+ - log_k -2.19 + Fe+3 + H2O = FeOH+2 + H+ + log_k -2.19 delta_h 10.4 kcal - -gamma 5.0 0.0 + -gamma 5 0 #FeOH+ 2 - Fe+2 + H2O = FeOH+ + H+ - log_k -9.5 + Fe+2 + H2O = FeOH+ + H+ + log_k -9.5 delta_h 13.2 kcal - -gamma 5.0 0.0 + -gamma 5 0 #Fe(OH)3- 3 - Fe+2 + 3H2O = Fe(OH)3- + 3H+ - log_k -31.0 + Fe+2 + 3 H2O = Fe(OH)3- + 3 H+ + log_k -31 delta_h 30.3 kcal - -gamma 5.0 0.0 + -gamma 5 0 #FeSO4+ 4 - Fe+3 + SO4-2 = FeSO4+ - log_k 4.04 + Fe+3 + SO4-2 = FeSO4+ + log_k 4.04 delta_h 3.91 kcal - -gamma 5.0 0.0 + -gamma 5 0 #FeCl+2 5 - Fe+3 + Cl- = FeCl+2 - log_k 1.48 + Fe+3 + Cl- = FeCl+2 + log_k 1.48 delta_h 5.6 kcal - -gamma 5.0 0.0 + -gamma 5 0 #FeCl2+ 6 - Fe+3 + 2Cl- = FeCl2+ - log_k 2.13 + Fe+3 + 2 Cl- = FeCl2+ + log_k 2.13 #FeCl3 7 - Fe+3 + 3Cl- = FeCl3 - log_k 1.13 + Fe+3 + 3 Cl- = FeCl3 + log_k 1.13 #FeSO4 8 - Fe+2 + SO4-2 = FeSO4 - log_k 2.25 + Fe+2 + SO4-2 = FeSO4 + log_k 2.25 delta_h 3.23 kcal #H3SiO4- 13 - H4SiO4 = H3SiO4- + H+ - log_k -9.83 + H4SiO4 = H3SiO4- + H+ + log_k -9.83 delta_h 6.12 kcal - -analytical -302.3724 -0.050698 15669.69 108.18466 -1119669.0 - -gamma 4.0 0.0 + -analytical -302.3724 -0.050698 15669.69 108.18466 -1119669 + -gamma 4 0 #H2SiO4-2 14 - H4SiO4 = H2SiO4-2 + 2H+ - log_k -23.0 + H4SiO4 = H2SiO4-2 + 2 H+ + log_k -23 delta_h 17.6 kcal - -analytical -294.0184 -0.07265 11204.49 108.18466 -1119669.0 - -gamma 5.4 0.0 + -analytical -294.0184 -0.07265 11204.49 108.18466 -1119669 + -gamma 5.4 0 #HPO4-2 15 H+ + PO4-3 = HPO4-2 - log_k 12.346 + log_k 12.346 delta_h -3.53 kcal - -gamma 5.0 0.0 + -gamma 5 0 #H2PO4- 16 - 2H+ + PO4-3 = H2PO4- - log_k 19.553 + 2 H+ + PO4-3 = H2PO4- + log_k 19.553 delta_h -4.52 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #MgF+ 22 - Mg+2 + F- = MgF+ - log_k 1.82 + Mg+2 + F- = MgF+ + log_k 1.82 delta_h 3.2 kcal - -gamma 4.5 0.0 + -gamma 4.5 0 #CaSO4 23 - Ca+2 + SO4-2 = CaSO4 - log_k 2.3 + Ca+2 + SO4-2 = CaSO4 + log_k 2.3 delta_h 1.65 kcal #MgOH+ 24 - Mg+2 + H2O = MgOH+ + H+ - log_k -11.44 + Mg+2 + H2O = MgOH+ + H+ + log_k -11.44 delta_h 15.952 kcal - -gamma 6.5 0.0 + -gamma 6.5 0 #H3BO3 25 H3BO3 = H2BO3- + H+ - log_k -9.24 + log_k -9.24 delta_h 3.224 kcal # -analytical 24.3919 0.012078 -1343.9 -13.2258 - -gamma 2.5 0.0 + -gamma 2.5 0 #NH3 26 - NH4+ = NH3 + H+ - log_k -9.252 + NH4+ = NH3 + H+ + log_k -9.252 delta_h 12.48 kcal - -analytic 0.6322 -0.001225 -2835.76 - -gamma 2.5 0.0 + -analytic 0.6322 -0.001225 -2835.76 + -gamma 2.5 0 #NaHPO4- 30 Na+ + HPO4-2 = NaHPO4- - log_k 0.29 - -gamma 5.4 0.0 + log_k 0.29 + -gamma 5.4 0 #KHPO4- 32 K+ + HPO4-2 = KHPO4- - log_k 0.29 - -gamma 5.4 0.0 + log_k 0.29 + -gamma 5.4 0 #MgHPO4 33 - Mg+2 + HPO4-2 = MgHPO4 - log_k 2.87 + Mg+2 + HPO4-2 = MgHPO4 + log_k 2.87 delta_h 3.3 kcal #CaHPO4 34 - Ca+2 + HPO4-2 = CaHPO4 - log_k 2.739 + Ca+2 + HPO4-2 = CaHPO4 + log_k 2.739 delta_h 3.3 kcal #CH4 secondary master species CO3-2 + 10 H+ + 8 e- = CH4 + 3 H2O - log_k 41.071 - delta_h -61.039 kcal + log_k 41.071 + delta_h -61.039 kcal #H2CO3 35 -# HCO3- + H+ = H2CO3 +# HCO3- + H+ = H2CO3 # log_k 6.351 # delta_h -2.247 kcal # -analytical 356.3094 0.06091960 -21834.37 -126.8339 1684915.0 #CO2 could be used instead of H2CO3 CO3-2 + 2 H+ = CO2 + H2O - log_k 16.681 + log_k 16.681 delta_h -5.738 kcal - -analytical 464.1965 0.09344813 -26986.16 -165.75951 2248628.9 + -analytical 464.1965 0.09344813 -26986.16 -165.75951 2248628.9 #HCO3- 68 - H+ + CO3-2 = HCO3- - log_k 10.329 + H+ + CO3-2 = HCO3- + log_k 10.329 delta_h -3.561 kcal - -analytical 107.8871 0.03252849 -5151.79 -38.92561 563713.9 - -gamma 5.4 0.0 + -analytical 107.8871 0.03252849 -5151.79 -38.92561 563713.9 + -gamma 5.4 0 #NaCO3- 69 - Na+ + CO3-2 = NaCO3- - log_k 1.27 + Na+ + CO3-2 = NaCO3- + log_k 1.27 delta_h 8.91 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #NaHCO3 70 - Na+ + HCO3- = NaHCO3 - log_k -0.25 + Na+ + HCO3- = NaHCO3 + log_k -0.25 #NaSO4- 71 Na+ + SO4-2 = NaSO4- - log_k 0.7 + log_k 0.7 delta_h 1.12 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #KSO4- 72 K+ + SO4-2 = KSO4- - log_k 0.85 + log_k 0.85 delta_h 2.25 kcal - -analytical 3.106 0.0 -673.6 - -gamma 5.4 0.0 + -analytical 3.106 0 -673.6 + -gamma 5.4 0 #MgCO3 73 - Mg+2 + CO3-2 = MgCO3 - log_k 2.98 + Mg+2 + CO3-2 = MgCO3 + log_k 2.98 delta_h 2.713 kcal - -analytical 0.9910 0.00667 + -analytical 0.991 0.00667 #MgHCO3+ 74 Mg+2 + HCO3- = MgHCO3+ - log_k 1.07 + log_k 1.07 delta_h 0.79 kcal - -analytical -59.215 0.0 2537.455 20.92298 0.0 - -gamma 4.0 0.0 + -analytical -59.215 0 2537.455 20.92298 0 + -gamma 4 0 #MgSO4 75 - Mg+2 + SO4-2 = MgSO4 - log_k 2.37 + Mg+2 + SO4-2 = MgSO4 + log_k 2.37 delta_h 4.55 kcal #CaOH+ 76 - Ca+2 + H2O = CaOH+ + H+ - log_k -12.78 - -gamma 6.0 0.0 + Ca+2 + H2O = CaOH+ + H+ + log_k -12.78 + -gamma 6 0 #CaHCO3+ 77 Ca+2 + HCO3- = CaHCO3+ - log_k 1.106 + log_k 1.106 delta_h 2.69 kcal - -analytical 1209.12 0.31294 -34765.05 -478.782 0.0 - -gamma 6.0 0.0 + -analytical 1209.12 0.31294 -34765.05 -478.782 0 + -gamma 6 0 #CaCO3 78 - Ca+2 + CO3-2 = CaCO3 - log_k 3.224 + Ca+2 + CO3-2 = CaCO3 + log_k 3.224 delta_h 3.545 kcal - -analytical -1228.732 -0.299444 35512.75 485.818 0.0 + -analytical -1228.732 -0.299444 35512.75 485.818 0 #SrHCO3+ 79 - Sr+2 + HCO3- = SrHCO3+ - log_k 1.18 + Sr+2 + HCO3- = SrHCO3+ + log_k 1.18 delta_h 6.05 kcal - -analytical -3.248 0.014867 0.0 0.0 0.0 - -gamma 5.4 0.0 + -analytical -3.248 0.014867 0 0 0 + -gamma 5.4 0 #AlOH+2 80 - Al+3 + H2O = AlOH+2 + H+ - log_k -5.0 + Al+3 + H2O = AlOH+2 + H+ + log_k -5 delta_h 11.49 kcal - -analytical -38.253 0.0 -656.27 14.327 0.0 - -gamma 5.4 0.0 + -analytical -38.253 0 -656.27 14.327 0 + -gamma 5.4 0 #Al(OH)2+ 81 - Al+3 + 2H2O = Al(OH)2+ + 2H+ - log_k -10.1 + Al+3 + 2 H2O = Al(OH)2+ + 2 H+ + log_k -10.1 delta_h 26.9 kcal - -analytical 88.5 0.0 -9391.6 -27.121 0.0 - -gamma 5.4 0.0 + -analytical 88.5 0 -9391.6 -27.121 0 + -gamma 5.4 0 #Al(OH)3 336 - Al+3 + 3H2O = Al(OH)3 + 3H+ - log_k -16.9 + Al+3 + 3 H2O = Al(OH)3 + 3 H+ + log_k -16.9 delta_h 39.89 kcal - -analytical 226.374 0.0 -18247.8 -73.597 0.0 + -analytical 226.374 0 -18247.8 -73.597 0 #Al(OH)4- 82 - Al+3 + 4H2O = Al(OH)4- + 4H+ - log_k -22.7 + Al+3 + 4 H2O = Al(OH)4- + 4 H+ + log_k -22.7 delta_h 42.3 kcal - -analytical 51.578 0.0 -11168.9 -14.865 0.0 - -gamma 4.5 0.0 + -analytical 51.578 0 -11168.9 -14.865 0 + -gamma 4.5 0 #AlF+2 83 - Al+3 + F- = AlF+2 - log_k 7.0 + Al+3 + F- = AlF+2 + log_k 7 delta_h 1.06 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #AlF2+ 84 - Al+3 + 2F- = AlF2+ - log_k 12.7 + Al+3 + 2 F- = AlF2+ + log_k 12.7 delta_h 1.98 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #AlF3 85 - Al+3 + 3F- = AlF3 - log_k 16.8 + Al+3 + 3 F- = AlF3 + log_k 16.8 delta_h 2.16 kcal #AlF4- 86 - Al+3 + 4F- = AlF4- - log_k 19.4 + Al+3 + 4 F- = AlF4- + log_k 19.4 delta_h 2.2 kcal - -gamma 4.5 0.0 + -gamma 4.5 0 #AlSO4+ 87 Al+3 + SO4-2 = AlSO4+ - log_k 3.5 + log_k 3.5 delta_h 2.29 kcal - -gamma 4.5 0.0 + -gamma 4.5 0 #Al(SO4)2- 88 - Al+3 + 2SO4-2 = Al(SO4)2- - log_k 5.0 + Al+3 + 2 SO4-2 = Al(SO4)2- + log_k 5 delta_h 3.11 kcal - -gamma 4.5 0.0 + -gamma 4.5 0 #HSO4- 89 - H+ + SO4-2 = HSO4- - log_k 1.988 + H+ + SO4-2 = HSO4- + log_k 1.988 delta_h 3.85 kcal - -analytical -56.889 0.006473 2307.9 19.8858 0.0 - -gamma 4.5 0.0 + -analytical -56.889 0.006473 2307.9 19.8858 0 + -gamma 4.5 0 #H2S secondary master species 90 - SO4-2 + 10H+ + 8e- = H2S + 4H2O - log_k 40.644 + SO4-2 + 10 H+ + 8 e- = H2S + 4 H2O + log_k 40.644 delta_h -65.44 kcal #HS- 91 - H2S = HS- + H+ - log_k -6.994 + H2S = HS- + H+ + log_k -6.994 delta_h 5.3 kcal - -analytical 11.17 -0.02386 -3279.0 - -gamma 3.5 0.0 + -analytical 11.17 -0.02386 -3279 + -gamma 3.5 0 #S-2 92 - HS- = S-2 + H+ - log_k -12.918 + HS- = S-2 + H+ + log_k -12.918 delta_h 12.1 kcal - -gamma 5.0 0.0 + -gamma 5 0 #oxy 93 -# 0.5H2O = 0.25O2 + H+ + e- +# 0.5H2O = 0.25O2 + H+ + e- # log_k -20.780 # delta_h 34.157000 kcal #O2 secondary master species - 2H2O = O2 + 4H+ + 4e- - log_k -86.08 + 2 H2O = O2 + 4 H+ + 4 e- + log_k -86.08 delta_h 134.79 kcal #H2 secondary master species 2 H+ + 2 e- = H2 - log_k -3.15 + log_k -3.15 delta_h -1.759 kcal #Fe(OH)2+ 102 - Fe+3 + 2H2O = Fe(OH)2+ + 2H+ - log_k -5.67 + Fe+3 + 2 H2O = Fe(OH)2+ + 2 H+ + log_k -5.67 delta_h 17.1 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #Fe(OH)3 103 - Fe+3 + 3H2O = Fe(OH)3 + 3H+ - log_k -12.56 + Fe+3 + 3 H2O = Fe(OH)3 + 3 H+ + log_k -12.56 delta_h 24.8 kcal #Fe(OH)4- 104 - Fe+3 + 4H2O = Fe(OH)4- + 4H+ - log_k -21.6 + Fe+3 + 4 H2O = Fe(OH)4- + 4 H+ + log_k -21.6 delta_h 31.9 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #Fe(OH)2 105 - Fe+2 + 2H2O = Fe(OH)2 + 2H+ - log_k -20.57 + Fe+2 + 2 H2O = Fe(OH)2 + 2 H+ + log_k -20.57 delta_h 28.565 kcal #FeH2PO4+ 120 - Fe+2 + H2PO4- = FeH2PO4+ - log_k 2.7 - -gamma 5.4 0.0 + Fe+2 + H2PO4- = FeH2PO4+ + log_k 2.7 + -gamma 5.4 0 #CaPO4- 121 Ca+2 + PO4-3 = CaPO4- - log_k 6.459 + log_k 6.459 delta_h 3.1 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #CaH2PO4+ 122 Ca+2 + H2PO4- = CaH2PO4+ - log_k 1.408 + log_k 1.408 delta_h 3.4 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #MgPO4- 123 Mg+2 + PO4-3 = MgPO4- - log_k 6.589 + log_k 6.589 delta_h 3.1 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #MgH2PO4+ 124 Mg+2 + H2PO4- = MgH2PO4+ - log_k 1.513 + log_k 1.513 delta_h 3.4 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #LiSO4- 126 Li+ + SO4-2 = LiSO4- - log_k 0.64 - -gamma 5.0 0.0 + log_k 0.64 + -gamma 5 0 #N2 secondary master species 2 NO3- + 12 H+ + 10 e- = N2 + 6 H2O - log_k 207.080 - delta_h -312.130 kcal + log_k 207.08 + delta_h -312.13 kcal #NH4 secondary master species 127 - NO3- + 10H+ + 8e- = NH4+ + 3H2O - log_k 119.077 + NO3- + 10 H+ + 8 e- = NH4+ + 3 H2O + log_k 119.077 delta_h -187.055 kcal #SrOH+ 129 - Sr+2 + H2O = SrOH+ + H+ - log_k -13.29 - -gamma 5.0 0.0 + Sr+2 + H2O = SrOH+ + H+ + log_k -13.29 + -gamma 5 0 #BaOH+ 130 - Ba+2 + H2O = BaOH+ + H+ - log_k -13.47 - -gamma 5.0 0.0 + Ba+2 + H2O = BaOH+ + H+ + log_k -13.47 + -gamma 5 0 #NH4SO4- 131 - NH4+ + SO4-2 = NH4SO4- - log_k 1.11 - -gamma 5.0 0.0 + NH4+ + SO4-2 = NH4SO4- + log_k 1.11 + -gamma 5 0 #SrCO3 135 - Sr+2 + CO3-2 = SrCO3 - log_k 2.81 + Sr+2 + CO3-2 = SrCO3 + log_k 2.81 delta_h 5.22 kcal - -analytical -1.019 0.012826 0.0 0.0 0.0 - -gamma 5.0 0.0 + -analytical -1.019 0.012826 0 0 0 + -gamma 5 0 #O2Sato 136 -# 0.5H2O = 0.25O2(aq) + H+ + e- +# 0.5H2O = 0.25O2(aq) + H+ + e- # log_k -11.385 #CO2 137 -# CO2 (g) + H2O = H2CO3 +# CO2 (g) + H2O = H2CO3 # -1.468 -4.776 108.38650 0.01985076 -6919.530 -40.45154 -669365.0 #FeHPO4 138 Fe+2 + HPO4-2 = FeHPO4 - log_k 3.6 + log_k 3.6 #FeHPO4+ 139 - Fe+3 + HPO4-2 = FeHPO4+ - log_k 5.43 + Fe+3 + HPO4-2 = FeHPO4+ + log_k 5.43 delta_h 5.76 kcal - -gamma 5.5 0.0 + -gamma 5.5 0 #FeHSO4+ 148 Fe+2 + HSO4- = FeHSO4+ - log_k 1.08 + log_k 1.08 #O2calc 151 -# 0.5H2O = 0.25O2(aq) + H+ + e- +# 0.5H2O = 0.25O2(aq) + H+ + e- # log_k -20.780 # delta_h 33.457 kcal #OH- 152 - H2O = OH- + H+ - log_k -14.0 + H2O = OH- + H+ + log_k -14 delta_h 13.362 kcal - -analytical -283.971 -0.05069842 13323.0 102.24447 -1119669.0 - -gamma 3.5 0.0 + -analytical -283.971 -0.05069842 13323 102.24447 -1119669 + -gamma 3.5 0 #FeH2PO4+2 156 Fe+3 + H2PO4- = FeH2PO4+2 - log_k 5.43 - -gamma 5.4 0.0 + log_k 5.43 + -gamma 5.4 0 #FeHSO4+2 159 - Fe+3 + HSO4- = FeHSO4+2 - log_k 2.48 + Fe+3 + HSO4- = FeHSO4+2 + log_k 2.48 #CaF+ 160 - Ca+2 + F- = CaF+ - log_k 0.94 + Ca+2 + F- = CaF+ + log_k 0.94 delta_h 4.12 kcal - -gamma 5.5 0.0 + -gamma 5.5 0 #BF(OH)3- 161 H3BO3 + F- = BF(OH)3- - log_k -0.4 + log_k -0.4 delta_h 1.85 kcal - -gamma 2.5 0.0 + -gamma 2.5 0 #BF2(OH)2- 162 - H3BO3 + H+ + 2F- = BF2(OH)2- + H2O - log_k 7.63 + H3BO3 + H+ + 2 F- = BF2(OH)2- + H2O + log_k 7.63 delta_h 1.618 kcal - -gamma 2.5 0.0 + -gamma 2.5 0 #BF3OH- 163 - H3BO3 + 2H+ + 3F- = BF3OH- + 2H2O - log_k 13.67 + H3BO3 + 2 H+ + 3 F- = BF3OH- + 2 H2O + log_k 13.67 delta_h -1.614 kcal - -gamma 2.5 0.0 + -gamma 2.5 0 #BF4- 164 - H3BO3 + 3H+ + 4F- = BF4- + 3H2O - log_k 20.28 + H3BO3 + 3 H+ + 4 F- = BF4- + 3 H2O + log_k 20.28 delta_h -1.846 kcal - -gamma 2.5 0.0 + -gamma 2.5 0 #FeF+2 165 - Fe+3 + F- = FeF+2 - log_k 6.2 + Fe+3 + F- = FeF+2 + log_k 6.2 delta_h 2.7 kcal - -gamma 5.0 0.0 + -gamma 5 0 #FeF2+ 166 - Fe+3 + 2F- = FeF2+ - log_k 10.8 + Fe+3 + 2 F- = FeF2+ + log_k 10.8 delta_h 4.8 kcal - -gamma 5.0 0.0 + -gamma 5 0 #FeF3 167 - Fe+3 + 3F- = FeF3 - log_k 14.0 + Fe+3 + 3 F- = FeF3 + log_k 14 delta_h 5.4 kcal #CaHSO4+ 168 - Ca+2 + HSO4- = CaHSO4+ - log_k 1.08 + Ca+2 + HSO4- = CaHSO4+ + log_k 1.08 #Mn+3 secondary master species 169 - Mn+2 = Mn+3 + e- - log_k -25.51 + Mn+2 = Mn+3 + e- + log_k -25.51 delta_h 25.8 kcal - -gamma 9.0 0.0 + -gamma 9 0 #MnCl+ 170 - Mn+2 + Cl- = MnCl+ - log_k 0.61 - -gamma 5.0 0.0 + Mn+2 + Cl- = MnCl+ + log_k 0.61 + -gamma 5 0 #MnCl2 171 - Mn+2 + 2Cl- = MnCl2 - log_k 0.25 + Mn+2 + 2 Cl- = MnCl2 + log_k 0.25 #MnCl3- 172 - Mn+2 + 3Cl- = MnCl3- - log_k -0.31 - -gamma 5.0 0.0 + Mn+2 + 3 Cl- = MnCl3- + log_k -0.31 + -gamma 5 0 #MnOH+ 173 - Mn+2 + H2O = MnOH+ + H+ - log_k -10.59 + Mn+2 + H2O = MnOH+ + H+ + log_k -10.59 delta_h 14.4 kcal - -gamma 5.0 0.0 + -gamma 5 0 #Mn(OH)3- 174 - Mn+2 + 3H2O = Mn(OH)3- + 3H+ - log_k -34.8 - -gamma 5.0 0.0 + Mn+2 + 3 H2O = Mn(OH)3- + 3 H+ + log_k -34.8 + -gamma 5 0 #MnF+ 175 - Mn+2 + F- = MnF+ - log_k 0.84 - -gamma 5.0 0.0 + Mn+2 + F- = MnF+ + log_k 0.84 + -gamma 5 0 #MnSO4 176 - Mn+2 + SO4-2 = MnSO4 - log_k 2.25 + Mn+2 + SO4-2 = MnSO4 + log_k 2.25 delta_h 3.37 kcal #Mn(NO3)2 177 - Mn+2 + 2NO3- = Mn(NO3)2 - log_k 0.6 + Mn+2 + 2 NO3- = Mn(NO3)2 + log_k 0.6 delta_h -0.396 kcal #MnHCO3+ 178 Mn+2 + HCO3- = MnHCO3+ - log_k 1.95 - -gamma 5.0 0.0 + log_k 1.95 + -gamma 5 0 #MnO4- secondary master species 179 - Mn+2 + 4H2O = MnO4- + 8H+ + 5e- - log_k -127.824 + Mn+2 + 4 H2O = MnO4- + 8 H+ + 5 e- + log_k -127.824 delta_h 176.62 kcal - -gamma 3.0 0.0 + -gamma 3 0 #MnO4-2 secondary master species 180 - Mn+2 + 4H2O = MnO4-2 + 8H+ + 4e- - log_k -118.44 + Mn+2 + 4 H2O = MnO4-2 + 8 H+ + 4 e- + log_k -118.44 delta_h 150.02 kcal - -gamma 5.0 0.0 + -gamma 5 0 #SiF6-2 201 - H4SiO4 + 4H+ + 6F- = SiF6-2 + 4H2O - log_k 30.18 + H4SiO4 + 4 H+ + 6 F- = SiF6-2 + 4 H2O + log_k 30.18 delta_h -16.26 kcal - -gamma 5.0 0.0 + -gamma 5 0 #HF 202 - H+ + F- = HF - log_k 3.18 + H+ + F- = HF + log_k 3.18 delta_h 3.18 kcal - -analytical -2.033 0.012645 429.01 0.0 0.0 + -analytical -2.033 0.012645 429.01 0 0 #HF2- 203 - H+ + 2F- = HF2- - log_k 3.76 + H+ + 2 F- = HF2- + log_k 3.76 delta_h 4.55 kcal - -gamma 3.5 0.0 + -gamma 3.5 0 #CuCl2- 206 # Cu+2 + 2Cl- + e- = CuCl2- # log_k 8.220 # delta_h 1.230 kcal - Cu+ + 2Cl- = CuCl2- - log_k 5.50 + Cu+ + 2 Cl- = CuCl2- + log_k 5.5 delta_h -0.42 kcal - -gamma 4.0 0.0 + -gamma 4 0 #CuCl3-2 207 -# Cu+2 + 3Cl- + e- = CuCl3-2 +# Cu+2 + 3Cl- + e- = CuCl3-2 # log_k 8.420 # delta_h 1.910 kcal - Cu+ + 3Cl- = CuCl3-2 - log_k 5.70 + Cu+ + 3 Cl- = CuCl3-2 + log_k 5.7 delta_h 0.26 kcal - -gamma 5.0 0.0 + -gamma 5 0 #Cu+ secondary master species 208 - Cu+2 + e- = Cu+ - log_k 2.72 + Cu+2 + e- = Cu+ + log_k 2.72 delta_h 1.65 kcal - -gamma 2.5 0.0 + -gamma 2.5 0 #CuCO3 209 - Cu+2 + CO3-2 = CuCO3 - log_k 6.73 + Cu+2 + CO3-2 = CuCO3 + log_k 6.73 #Cu(CO3)2-2 210 - Cu+2 + 2CO3-2 = Cu(CO3)2-2 - log_k 9.83 + Cu+2 + 2 CO3-2 = Cu(CO3)2-2 + log_k 9.83 #CuCl+ 211 - Cu+2 + Cl- = CuCl+ - log_k 0.43 + Cu+2 + Cl- = CuCl+ + log_k 0.43 delta_h 8.65 kcal - -gamma 4.0 0.0 + -gamma 4 0 #CuCl2 212 - Cu+2 + 2Cl- = CuCl2 - log_k 0.16 + Cu+2 + 2 Cl- = CuCl2 + log_k 0.16 delta_h 10.56 kcal #CuCl3- 213 - Cu+2 + 3Cl- = CuCl3- - log_k -2.29 + Cu+2 + 3 Cl- = CuCl3- + log_k -2.29 delta_h 13.69 kcal - -gamma 4.0 0.0 + -gamma 4 0 #CuCl4-2 214 - Cu+2 + 4Cl- = CuCl4-2 - log_k -4.59 + Cu+2 + 4 Cl- = CuCl4-2 + log_k -4.59 delta_h 17.78 kcal - -gamma 5.0 0.0 + -gamma 5 0 #CuF+ 215 - Cu+2 + F- = CuF+ - log_k 1.26 + Cu+2 + F- = CuF+ + log_k 1.26 delta_h 1.62 kcal #CuOH+ 216 - Cu+2 + H2O = CuOH+ + H+ - log_k -8.0 - -gamma 4.0 0.0 + Cu+2 + H2O = CuOH+ + H+ + log_k -8 + -gamma 4 0 #Cu(OH)2 217 - Cu+2 + 2H2O = Cu(OH)2 + 2H+ - log_k -13.68 + Cu+2 + 2 H2O = Cu(OH)2 + 2 H+ + log_k -13.68 #Cu(OH)3- 218 - Cu+2 + 3H2O = Cu(OH)3- + 3H+ - log_k -26.9 + Cu+2 + 3 H2O = Cu(OH)3- + 3 H+ + log_k -26.9 #Cu(OH)4-2 219 - Cu+2 + 4H2O = Cu(OH)4-2 + 4H+ - log_k -39.6 + Cu+2 + 4 H2O = Cu(OH)4-2 + 4 H+ + log_k -39.6 #Cu2(OH)2+2 220 - 2Cu+2 + 2H2O = Cu2(OH)2+2 + 2H+ - log_k -10.359 + 2 Cu+2 + 2 H2O = Cu2(OH)2+2 + 2 H+ + log_k -10.359 delta_h 17.539 kcal - -analytical 2.497 0.0 -3833.0 0.0 0.0 + -analytical 2.497 0 -3833 0 0 #CuSO4 221 - Cu+2 + SO4-2 = CuSO4 - log_k 2.31 + Cu+2 + SO4-2 = CuSO4 + log_k 2.31 delta_h 1.22 kcal #Cu(HS)3- 222 - Cu+2 + 3HS- = Cu(HS)3- - log_k 25.9 + Cu+2 + 3 HS- = Cu(HS)3- + log_k 25.9 #ZnCl+ 251 - Zn+2 + Cl- = ZnCl+ - log_k 0.43 + Zn+2 + Cl- = ZnCl+ + log_k 0.43 delta_h 7.79 kcal - -gamma 4.0 0.0 + -gamma 4 0 #ZnCl2 252 - Zn+2 + 2Cl- = ZnCl2 - log_k 0.45 + Zn+2 + 2 Cl- = ZnCl2 + log_k 0.45 delta_h 8.5 kcal #ZnCl3- 253 - Zn+2 + 3Cl- = ZnCl3- - log_k 0.5 + Zn+2 + 3 Cl- = ZnCl3- + log_k 0.5 delta_h 9.56 kcal - -gamma 4.0 0.0 + -gamma 4 0 #ZnCl4-2 254 - Zn+2 + 4Cl- = ZnCl4-2 - log_k 0.2 + Zn+2 + 4 Cl- = ZnCl4-2 + log_k 0.2 delta_h 10.96 kcal - -gamma 5.0 0.0 + -gamma 5 0 #ZnF+ 255 - Zn+2 + F- = ZnF+ - log_k 1.15 + Zn+2 + F- = ZnF+ + log_k 1.15 delta_h 2.22 kcal #ZnOH+ 256 - Zn+2 + H2O = ZnOH+ + H+ - log_k -8.96 + Zn+2 + H2O = ZnOH+ + H+ + log_k -8.96 delta_h 13.4 kcal #Zn(OH)2 257 - Zn+2 + 2H2O = Zn(OH)2 + 2H+ - log_k -16.9 + Zn+2 + 2 H2O = Zn(OH)2 + 2 H+ + log_k -16.9 #Zn(OH)3- 258 - Zn+2 + 3H2O = Zn(OH)3- + 3H+ - log_k -28.4 + Zn+2 + 3 H2O = Zn(OH)3- + 3 H+ + log_k -28.4 #Zn(OH)4-2 259 - Zn+2 + 4H2O = Zn(OH)4-2 + 4H+ - log_k -41.2 + Zn+2 + 4 H2O = Zn(OH)4-2 + 4 H+ + log_k -41.2 #ZnOHCl 260 - Zn+2 + H2O + Cl- = ZnOHCl + H+ - log_k -7.48 + Zn+2 + H2O + Cl- = ZnOHCl + H+ + log_k -7.48 #Zn(HS)2 261 - Zn+2 + 2HS- = Zn(HS)2 - log_k 14.94 + Zn+2 + 2 HS- = Zn(HS)2 + log_k 14.94 #Zn(HS)3- 262 - Zn+2 + 3HS- = Zn(HS)3- - log_k 16.1 + Zn+2 + 3 HS- = Zn(HS)3- + log_k 16.1 #ZnSO4 263 - Zn+2 + SO4-2 = ZnSO4 - log_k 2.37 + Zn+2 + SO4-2 = ZnSO4 + log_k 2.37 delta_h 1.36 kcal #Zn(SO4)2-2 264 - Zn+2 + 2SO4-2 = Zn(SO4)2-2 - log_k 3.28 + Zn+2 + 2 SO4-2 = Zn(SO4)2-2 + log_k 3.28 #CdCl+ 294 - Cd+2 + Cl- = CdCl+ - log_k 1.98 + Cd+2 + Cl- = CdCl+ + log_k 1.98 delta_h 0.59 kcal #CdCl2 295 - Cd+2 + 2Cl- = CdCl2 - log_k 2.6 + Cd+2 + 2 Cl- = CdCl2 + log_k 2.6 delta_h 1.24 kcal #CdCl3- 296 - Cd+2 + 3Cl- = CdCl3- - log_k 2.4 + Cd+2 + 3 Cl- = CdCl3- + log_k 2.4 delta_h 3.9 kcal #CdF+ 297 - Cd+2 + F- = CdF+ - log_k 1.1 + Cd+2 + F- = CdF+ + log_k 1.1 #CdF2 298 - Cd+2 + 2F- = CdF2 - log_k 1.5 + Cd+2 + 2 F- = CdF2 + log_k 1.5 #Cd(CO3)2-2 299 - Cd+2 + 2CO3-2 = Cd(CO3)2-2 - log_k 6.4 + Cd+2 + 2 CO3-2 = Cd(CO3)2-2 + log_k 6.4 #CdOH+ 300 - Cd+2 + H2O = CdOH+ + H+ - log_k -10.08 + Cd+2 + H2O = CdOH+ + H+ + log_k -10.08 delta_h 13.1 kcal #Cd(OH)2 301 - Cd+2 + 2H2O = Cd(OH)2 + 2H+ - log_k -20.35 + Cd+2 + 2 H2O = Cd(OH)2 + 2 H+ + log_k -20.35 #Cd(OH)3- 302 - Cd+2 + 3H2O = Cd(OH)3- + 3H+ - log_k -33.3 + Cd+2 + 3 H2O = Cd(OH)3- + 3 H+ + log_k -33.3 #Cd(OH)4-2 303 - Cd+2 + 4H2O = Cd(OH)4-2 + 4H+ - log_k -47.35 + Cd+2 + 4 H2O = Cd(OH)4-2 + 4 H+ + log_k -47.35 #Cd2OH+3 304 - 2Cd+2 + H2O = Cd2OH+3 + H+ - log_k -9.39 + 2 Cd+2 + H2O = Cd2OH+3 + H+ + log_k -9.39 delta_h 10.9 kcal #CdOHCl 305 - Cd+2 + H2O + Cl- = CdOHCl + H+ - log_k -7.404 + Cd+2 + H2O + Cl- = CdOHCl + H+ + log_k -7.404 delta_h 4.355 kcal #CdNO3+ 306 Cd+2 + NO3- = CdNO3+ - log_k 0.4 + log_k 0.4 delta_h -5.2 kcal #CdSO4 307 - Cd+2 + SO4-2 = CdSO4 - log_k 2.46 + Cd+2 + SO4-2 = CdSO4 + log_k 2.46 delta_h 1.08 kcal #CdHS+ 308 - Cd+2 + HS- = CdHS+ - log_k 10.17 + Cd+2 + HS- = CdHS+ + log_k 10.17 #Cd(HS)2 309 - Cd+2 + 2HS- = Cd(HS)2 - log_k 16.53 + Cd+2 + 2 HS- = Cd(HS)2 + log_k 16.53 #Cd(HS)3- 310 - Cd+2 + 3HS- = Cd(HS)3- - log_k 18.71 + Cd+2 + 3 HS- = Cd(HS)3- + log_k 18.71 #Cd(HS)4-2 311 - Cd+2 + 4HS- = Cd(HS)4-2 - log_k 20.9 + Cd+2 + 4 HS- = Cd(HS)4-2 + log_k 20.9 #Fe(SO4)2- 333 - Fe+3 + 2SO4-2 = Fe(SO4)2- - log_k 5.38 + Fe+3 + 2 SO4-2 = Fe(SO4)2- + log_k 5.38 delta_h 4.6 kcal #Fe2(OH)2+4 334 - 2Fe+3 + 2H2O = Fe2(OH)2+4 + 2H+ - log_k -2.95 + 2 Fe+3 + 2 H2O = Fe2(OH)2+4 + 2 H+ + log_k -2.95 delta_h 13.5 kcal #Fe3(OH)4+5 335 - 3Fe+3 + 4H2O = Fe3(OH)4+5 + 4H+ - log_k -6.3 + 3 Fe+3 + 4 H2O = Fe3(OH)4+5 + 4 H+ + log_k -6.3 delta_h 14.3 kcal #PbCl+ 341 - Pb+2 + Cl- = PbCl+ - log_k 1.6 + Pb+2 + Cl- = PbCl+ + log_k 1.6 delta_h 4.38 kcal #PbCl2 342 - Pb+2 + 2Cl- = PbCl2 - log_k 1.8 + Pb+2 + 2 Cl- = PbCl2 + log_k 1.8 delta_h 1.08 kcal #PbCl3- 343 - Pb+2 + 3Cl- = PbCl3- - log_k 1.7 + Pb+2 + 3 Cl- = PbCl3- + log_k 1.7 delta_h 2.17 kcal #PbCl4-2 344 - Pb+2 + 4Cl- = PbCl4-2 - log_k 1.38 + Pb+2 + 4 Cl- = PbCl4-2 + log_k 1.38 delta_h 3.53 kcal #Pb(CO3)2-2 345 - Pb+2 + 2CO3-2 = Pb(CO3)2-2 - log_k 10.64 + Pb+2 + 2 CO3-2 = Pb(CO3)2-2 + log_k 10.64 #PbF+ 346 - Pb+2 + F- = PbF+ - log_k 1.25 + Pb+2 + F- = PbF+ + log_k 1.25 #PbF2 347 - Pb+2 + 2F- = PbF2 - log_k 2.56 + Pb+2 + 2 F- = PbF2 + log_k 2.56 #PbF3- 348 - Pb+2 + 3F- = PbF3- - log_k 3.42 + Pb+2 + 3 F- = PbF3- + log_k 3.42 #PbF4-2 349 - Pb+2 + 4F- = PbF4-2 - log_k 3.1 + Pb+2 + 4 F- = PbF4-2 + log_k 3.1 #PbOH+ 350 - Pb+2 + H2O = PbOH+ + H+ - log_k -7.71 + Pb+2 + H2O = PbOH+ + H+ + log_k -7.71 #Pb(OH)2 351 - Pb+2 + 2H2O = Pb(OH)2 + 2H+ - log_k -17.12 + Pb+2 + 2 H2O = Pb(OH)2 + 2 H+ + log_k -17.12 #Pb(OH)3- 352 - Pb+2 + 3H2O = Pb(OH)3- + 3H+ - log_k -28.06 + Pb+2 + 3 H2O = Pb(OH)3- + 3 H+ + log_k -28.06 #Pb2OH+3 353 - 2Pb+2 + H2O = Pb2OH+3 + H+ - log_k -6.36 + 2 Pb+2 + H2O = Pb2OH+3 + H+ + log_k -6.36 #PbNO3+ 354 Pb+2 + NO3- = PbNO3+ - log_k 1.17 + log_k 1.17 #PbSO4 355 - Pb+2 + SO4-2 = PbSO4 - log_k 2.75 + Pb+2 + SO4-2 = PbSO4 + log_k 2.75 #Pb(HS)2 356 - Pb+2 + 2HS- = Pb(HS)2 - log_k 15.27 + Pb+2 + 2 HS- = Pb(HS)2 + log_k 15.27 #Pb(HS)3- 357 - Pb+2 + 3HS- = Pb(HS)3- - log_k 16.57 + Pb+2 + 3 HS- = Pb(HS)3- + log_k 16.57 #Pb3(OH)4+2 358 - 3Pb+2 + 4H2O = Pb3(OH)4+2 + 4H+ - log_k -23.88 + 3 Pb+2 + 4 H2O = Pb3(OH)4+2 + 4 H+ + log_k -23.88 delta_h 26.5 kcal #FeF+ 359 - Fe+2 + F- = FeF+ - log_k 1.0 + Fe+2 + F- = FeF+ + log_k 1 #AlHSO4+2 397 - Al+3 + HSO4- = AlHSO4+2 - log_k 0.46 + Al+3 + HSO4- = AlHSO4+2 + log_k 0.46 #NO2 secondary master species 400 - NO3- + 2H+ + 2e- = NO2- + H2O - log_k 28.57 + NO3- + 2 H+ + 2 e- = NO2- + H2O + log_k 28.57 delta_h -43.76 kcal #NiBr+ 403 - Ni+2 + Br- = NiBr+ - log_k 0.5 + Ni+2 + Br- = NiBr+ + log_k 0.5 #NiCl+ 404 - Ni+2 + Cl- = NiCl+ - log_k 0.4 + Ni+2 + Cl- = NiCl+ + log_k 0.4 #NiF+ 405 - Ni+2 + F- = NiF+ - log_k 1.3 + Ni+2 + F- = NiF+ + log_k 1.3 #NiOH+ 406 - Ni+2 + H2O = NiOH+ + H+ - log_k -9.86 + Ni+2 + H2O = NiOH+ + H+ + log_k -9.86 delta_h 12.42 kcal #Ni(OH)2 407 - Ni+2 + 2H2O = Ni(OH)2 + 2H+ - log_k -19.0 + Ni+2 + 2 H2O = Ni(OH)2 + 2 H+ + log_k -19 #Ni(OH)3- 408 - Ni+2 + 3H2O = Ni(OH)3- + 3H+ - log_k -30.0 + Ni+2 + 3 H2O = Ni(OH)3- + 3 H+ + log_k -30 #NiSO4 409 - Ni+2 + SO4-2 = NiSO4 - log_k 2.29 + Ni+2 + SO4-2 = NiSO4 + log_k 2.29 delta_h 1.52 kcal #AgBr 421 Ag+ + Br- = AgBr - log_k 4.24 + log_k 4.24 #AgBr2- 422 - Ag+ + 2Br- = AgBr2- - log_k 7.28 + Ag+ + 2 Br- = AgBr2- + log_k 7.28 #AgCl 423 Ag+ + Cl- = AgCl - log_k 3.27 + log_k 3.27 delta_h -2.68 kcal #AgCl2- 424 - Ag+ + 2Cl- = AgCl2- - log_k 5.27 + Ag+ + 2 Cl- = AgCl2- + log_k 5.27 delta_h -3.93 kcal #AgCl3-2 425 - Ag+ + 3Cl- = AgCl3-2 - log_k 5.29 + Ag+ + 3 Cl- = AgCl3-2 + log_k 5.29 #AgCl4-3 426 - Ag+ + 4Cl- = AgCl4-3 - log_k 5.51 + Ag+ + 4 Cl- = AgCl4-3 + log_k 5.51 #AgF 427 Ag+ + F- = AgF - log_k 0.36 + log_k 0.36 delta_h -2.83 kcal #AgHS 428 - Ag+ + HS- = AgHS - log_k 14.05 + Ag+ + HS- = AgHS + log_k 14.05 #Ag(HS)2- 429 - Ag+ + 2HS- = Ag(HS)2- - log_k 18.45 + Ag+ + 2 HS- = Ag(HS)2- + log_k 18.45 #AgI 430 Ag+ + I- = AgI - log_k 6.6 + log_k 6.6 #AgI2- 431 - Ag+ + 2I- = AgI2- - log_k 10.68 + Ag+ + 2 I- = AgI2- + log_k 10.68 #AgOH 432 - Ag+ + H2O = AgOH + H+ - log_k -12.0 + Ag+ + H2O = AgOH + H+ + log_k -12 #Ag(OH)2- 433 - Ag+ + 2H2O = Ag(OH)2- + 2H+ - log_k -24.0 + Ag+ + 2 H2O = Ag(OH)2- + 2 H+ + log_k -24 #AgSO4- 434 Ag+ + SO4-2 = AgSO4- - log_k 1.29 + log_k 1.29 delta_h 1.49 kcal #AgNO3 435 Ag+ + NO3- = AgNO3 - log_k -0.29 + log_k -0.29 #Ag(NO2)2- 436 - Ag+ + 2NO2- = Ag(NO2)2- - log_k 2.22 + Ag+ + 2 NO2- = Ag(NO2)2- + log_k 2.22 #ZnBr+ 447 - Zn+2 + Br- = ZnBr+ - log_k -0.58 + Zn+2 + Br- = ZnBr+ + log_k -0.58 #ZnBr2 448 - Zn+2 + 2Br- = ZnBr2 - log_k -0.98 + Zn+2 + 2 Br- = ZnBr2 + log_k -0.98 #ZnI+ 449 - Zn+2 + I- = ZnI+ - log_k -2.91 + Zn+2 + I- = ZnI+ + log_k -2.91 #ZnI2 450 - Zn+2 + 2I- = ZnI2 - log_k -1.69 + Zn+2 + 2 I- = ZnI2 + log_k -1.69 #CdBr+ 451 - Cd+2 + Br- = CdBr+ - log_k 2.17 + Cd+2 + Br- = CdBr+ + log_k 2.17 delta_h -0.81 kcal #CdBr2 452 - Cd+2 + 2Br- = CdBr2 - log_k 2.9 + Cd+2 + 2 Br- = CdBr2 + log_k 2.9 #CdI+ 453 - Cd+2 + I- = CdI+ - log_k 2.15 + Cd+2 + I- = CdI+ + log_k 2.15 delta_h -2.37 kcal #CdI2 454 - Cd+2 + 2I- = CdI2 - log_k 3.59 + Cd+2 + 2 I- = CdI2 + log_k 3.59 #PbBr+ 455 - Pb+2 + Br- = PbBr+ - log_k 1.77 + Pb+2 + Br- = PbBr+ + log_k 1.77 delta_h 2.88 kcal #PbBr2 456 - Pb+2 + 2Br- = PbBr2 - log_k 1.44 + Pb+2 + 2 Br- = PbBr2 + log_k 1.44 #PbI+ 457 - Pb+2 + I- = PbI+ - log_k 1.94 + Pb+2 + I- = PbI+ + log_k 1.94 #PbI2 458 - Pb+2 + 2I- = PbI2 - log_k 3.2 + Pb+2 + 2 I- = PbI2 + log_k 3.2 #PbCO3 468 - Pb+2 + CO3-2 = PbCO3 - log_k 7.24 + Pb+2 + CO3-2 = PbCO3 + log_k 7.24 #Pb(OH)4-2 469 - Pb+2 + 4H2O = Pb(OH)4-2 + 4H+ - log_k -39.7 + Pb+2 + 4 H2O = Pb(OH)4-2 + 4 H+ + log_k -39.7 #Pb(SO4)2-2 470 - Pb+2 + 2SO4-2 = Pb(SO4)2-2 - log_k 3.47 + Pb+2 + 2 SO4-2 = Pb(SO4)2-2 + log_k 3.47 #AgBr3-2 473 - Ag+ + 3Br- = AgBr3-2 - log_k 8.71 + Ag+ + 3 Br- = AgBr3-2 + log_k 8.71 #AgI3-2 474 - Ag+ + 3I- = AgI3-2 - log_k 13.37 + Ag+ + 3 I- = AgI3-2 + log_k 13.37 delta_h -27.03 kcal #AgI4-3 475 - Ag+ + 4I- = AgI4-3 - log_k 14.08 + Ag+ + 4 I- = AgI4-3 + log_k 14.08 #Fe(HS)2 476 - Fe+2 + 2HS- = Fe(HS)2 - log_k 8.95 + Fe+2 + 2 HS- = Fe(HS)2 + log_k 8.95 #Fe(HS)3- 477 - Fe+2 + 3HS- = Fe(HS)3- - log_k 10.987 + Fe+2 + 3 HS- = Fe(HS)3- + log_k 10.987 #H2AsO3- 478 H3AsO3 = H2AsO3- + H+ - log_k -9.15 - delta_h 27.54 kJ + log_k -9.15 + delta_h 27.54 kJ #HAsO3-2 479 - H3AsO3 = HAsO3-2 + 2H+ - log_k -23.85 - delta_h 59.41 kJ + H3AsO3 = HAsO3-2 + 2 H+ + log_k -23.85 + delta_h 59.41 kJ #AsO3-3 480 - H3AsO3 = AsO3-3 + 3H+ - log_k -39.55 - delta_h 84.73 kJ + H3AsO3 = AsO3-3 + 3 H+ + log_k -39.55 + delta_h 84.73 kJ #H4AsO3+ 481 - H3AsO3 + H+ = H4AsO3+ - log_k -0.305 + H3AsO3 + H+ = H4AsO3+ + log_k -0.305 #H2AsO4- 482 H3AsO4 = H2AsO4- + H+ - log_k -2.3 - delta_h -7.066 kJ + log_k -2.3 + delta_h -7.066 kJ #HAsO4-2 483 - H3AsO4 = HAsO4-2 + 2H+ - log_k -9.46 - delta_h -3.846 kJ + H3AsO4 = HAsO4-2 + 2 H+ + log_k -9.46 + delta_h -3.846 kJ #AsO43- 484 - H3AsO4 = AsO4-3 + 3H+ - log_k -21.11 - delta_h 14.354 kJ + H3AsO4 = AsO4-3 + 3 H+ + log_k -21.11 + delta_h 14.354 kJ #As3 secondary master species 487 H3AsO4 + H2 = H3AsO3 + H2O - log_k 22.5 - delta_h -117.480344 kJ + log_k 22.5 + delta_h -117.480344 kJ #As3S4(HS)-2 631 - 3H3AsO3 + 6HS- + 5H+ = As3S4(HS)2- + 9H2O - log_k 72.314 - -gamma 5.0 0.0 + 3 H3AsO3 + 6 HS- + 5 H+ = As3S4(HS)2- + 9 H2O + log_k 72.314 + -gamma 5 0 #AsS(OH)(HS)- 637 - H3AsO3 + 2HS- + H+ = AsS(OH)(HS)- + 2H2O - log_k 18.038 - -gamma 5.0 0.0 + H3AsO3 + 2 HS- + H+ = AsS(OH)(HS)- + 2 H2O + log_k 18.038 + -gamma 5 0 # -# TURNING OFF CHECKING FOR EQUATION BALANCE FOR +# TURNING OFF CHECKING FOR EQUATION BALANCE FOR # POLYSULFIDES # @@ -1406,73 +1410,73 @@ SOLUTION_SPECIES # Cu+2 + 2HS- + e- = CuS4S5-3 + 2H+ # (lhs) +7S # log_k 5.382 # -no_check -# -mass_balance CuS(-2)9 +# -mass_balance CuS(-2)9 # -gamma 25.0 0.0 #As3/As5 487 -# H3AsO3 + H2O = H3AsO4 + 2H+ + 2e- +# H3AsO3 + H2O = H3AsO4 + 2H+ + 2e- # log_k -18.897 # delta_h 30.015 kcal #S2-2 502 - HS- = S2-2 + H+ # (lhs) +S - log_k -14.528 + HS- = S2-2 + H+ # (lhs) +S + log_k -14.528 delta_h 11.4 kcal -no_check - -mass_balance S(-2)2 - -gamma 6.5 0.0 + -mass_balance S(-2)2 + -gamma 6.5 0 #S3-2 503 - HS- = S3-2 + H+ # (lhs) +2S - log_k -13.282 + HS- = S3-2 + H+ # (lhs) +2S + log_k -13.282 delta_h 10.4 kcal -no_check - -mass_balance S(-2)3 - -gamma 8.0 0.0 + -mass_balance S(-2)3 + -gamma 8 0 #S4-2 504 - HS- = S4-2 + H+ # (lhs) +3S - log_k -9.829 + HS- = S4-2 + H+ # (lhs) +3S + log_k -9.829 delta_h 9.7 kcal -no_check - -mass_balance S(-2)4 - -gamma 10.0 0.0 + -mass_balance S(-2)4 + -gamma 10 0 #S5-2 505 - HS- = S5-2 + H+ # (lhs) +4S - log_k -9.595 + HS- = S5-2 + H+ # (lhs) +4S + log_k -9.595 delta_h 9.3 kcal -no_check - -mass_balance S(-2)5 - -gamma 12.0 0.0 + -mass_balance S(-2)5 + -gamma 12 0 #S6-2 506 - HS- = S6-2 + H+ # (lhs) +5S - log_k -9.881 + HS- = S6-2 + H+ # (lhs) +5S + log_k -9.881 -no_check - -mass_balance S(-2)6 - -gamma 14.0 0.0 + -mass_balance S(-2)6 + -gamma 14 0 #Ag(S4)2-3 507 - Ag+ + 2HS- = Ag(S4)2-3 + 2H+ # (lhs) +6S - log_k 0.991 + Ag+ + 2 HS- = Ag(S4)2-3 + 2 H+ # (lhs) +6S + log_k 0.991 -no_check - -mass_balance AgS(-2)8 - -gamma 22.0 0.0 + -mass_balance AgS(-2)8 + -gamma 22 0 #Ag(S4)S5-3 508 - Ag+ + 2HS- = Ag(S4)S5-3 + 2H+ # (lhs) +7S - log_k 0.68 + Ag+ + 2 HS- = Ag(S4)S5-3 + 2 H+ # (lhs) +7S + log_k 0.68 -no_check - -mass_balance AgS(-2)9 - -gamma 24.0 0.0 + -mass_balance AgS(-2)9 + -gamma 24 0 #AgHS(S4)-2 509 # (lhs) +3S - Ag+ + 2HS- = AgHS(S4)-2 + H+ - log_k 10.43 + Ag+ + 2 HS- = AgHS(S4)-2 + H+ + log_k 10.43 -no_check - -mass_balance AgHS(-2)5 - -gamma 15.0 0.0 + -mass_balance AgHS(-2)5 + -gamma 15 0 # # END OF POLYSULFIDES @@ -1480,99 +1484,99 @@ SOLUTION_SPECIES #CuHCO3+ 510 Cu+2 + HCO3- = CuHCO3+ - log_k 2.7 + log_k 2.7 #ZnHCO3+ 511 Zn+2 + HCO3- = ZnHCO3+ - log_k 2.1 + log_k 2.1 #ZnCO3 512 - Zn+2 + CO3-2 = ZnCO3 - log_k 5.3 + Zn+2 + CO3-2 = ZnCO3 + log_k 5.3 #Zn(CO3)2-2 513 - Zn+2 + 2CO3-2 = Zn(CO3)2-2 - log_k 9.63 + Zn+2 + 2 CO3-2 = Zn(CO3)2-2 + log_k 9.63 #CdHCO3 514 Cd+2 + HCO3- = CdHCO3+ - log_k 1.5 + log_k 1.5 #CdCO3 515 - Cd+2 + CO3-2 = CdCO3 - log_k 2.9 + Cd+2 + CO3-2 = CdCO3 + log_k 2.9 #Cd(SO4)2-2 516 - Cd+2 + 2SO4-2 = Cd(SO4)2-2 - log_k 3.5 + Cd+2 + 2 SO4-2 = Cd(SO4)2-2 + log_k 3.5 #PbHCO3+ 517 Pb+2 + HCO3- = PbHCO3+ - log_k 2.9 + log_k 2.9 #NiCl2 518 - Ni+2 + 2Cl- = NiCl2 - log_k 0.96 + Ni+2 + 2 Cl- = NiCl2 + log_k 0.96 #NiHCO3+ 519 Ni+2 + HCO3- = NiHCO3+ - log_k 2.14 + log_k 2.14 #NiCO3 520 - Ni+2 + CO3-2 = NiCO3 - log_k 6.87 + Ni+2 + CO3-2 = NiCO3 + log_k 6.87 #Ni(CO3)2-2 521 - Ni+2 + 2CO3-2 = Ni(CO3)2-2 - log_k 10.11 + Ni+2 + 2 CO3-2 = Ni(CO3)2-2 + log_k 10.11 #Ni(SO4)2-2 522 - Ni+2 + 2SO4-2 = Ni(SO4)2-2 - log_k 1.02 + Ni+2 + 2 SO4-2 = Ni(SO4)2-2 + log_k 1.02 #HFulvate 523 - H+ + Fulvate-2 = HFulvate- - log_k 4.27 + H+ + Fulvate-2 = HFulvate- + log_k 4.27 #HHumate 524 - H+ + Humate-2 = HHumate- - log_k 4.27 + H+ + Humate-2 = HHumate- + log_k 4.27 #FeFulvate 525 - Fe+3 + Fulvate-2 = FeFulvate+ - log_k 9.4 + Fe+3 + Fulvate-2 = FeFulvate+ + log_k 9.4 #FeHumate 526 - Fe+3 + Humate-2 = FeHumate+ - log_k 9.4 + Fe+3 + Humate-2 = FeHumate+ + log_k 9.4 #CuFulvate 527 Cu+2 + Fulvate-2 = CuFulvate - log_k 6.2 + log_k 6.2 #CuHumate 528 Cu+2 + Humate-2 = CuHumate - log_k 6.2 + log_k 6.2 #CdFulvate 529 Cd+2 + Fulvate-2 = CdFulvate - log_k 3.5 + log_k 3.5 #CdHumate 530 Cd+2 + Humate-2 = CdHumate - log_k 3.5 + log_k 3.5 #AgFulvate 531 - Ag+ + Fulvate-2 = AgFulvate- - log_k 2.4 + Ag+ + Fulvate-2 = AgFulvate- + log_k 2.4 #AgHumate 532 - Ag+ + Humate-2 = AgHumate- - log_k 2.4 + Ag+ + Humate-2 = AgHumate- + log_k 2.4 #H2F2 537 - 2H+ + 2F- = H2F2 - log_k 6.768 + 2 H+ + 2 F- = H2F2 + log_k 6.768 #peS/H2S 538 # S + 2H+ + 2e- = H2S @@ -1580,1969 +1584,1969 @@ SOLUTION_SPECIES #NaF 540 Na+ + F- = NaF - log_k -0.24 + log_k -0.24 #FeCl+ 542 - Fe+2 + Cl- = FeCl+ - log_k 0.14 - -gamma 5.0 0.0 + Fe+2 + Cl- = FeCl+ + log_k 0.14 + -gamma 5 0 #BaSO4 543 - Ba+2 + SO4-2 = BaSO4 - log_k 2.7 + Ba+2 + SO4-2 = BaSO4 + log_k 2.7 #HSe- secondary master species 549 - SeO3-2 + 7H+ + 6e- = HSe- + 3H2O - log_k 42.514 + SeO3-2 + 7 H+ + 6 e- = HSe- + 3 H2O + log_k 42.514 #H2Se 544 - HSe- + H+ = H2Se - log_k 3.8 + HSe- + H+ = H2Se + log_k 3.8 delta_h -5.3 kcal #SeO3-2 secondary master species 548 - SeO4-2 + 2H+ + 2e- = SeO3-2 + H2O - log_k 30.256 + SeO4-2 + 2 H+ + 2 e- = SeO3-2 + H2O + log_k 30.256 #H2SeO3 545 - SeO3-2 + 2H+ = H2SeO3 - log_k 11.25 + SeO3-2 + 2 H+ = H2SeO3 + log_k 11.25 #HSeO3- 546 SeO3-2 + H+ = HSeO3- - log_k 8.5 + log_k 8.5 #HSeO4- 547 SeO4-2 + H+ = HSeO4- - log_k 1.66 + log_k 1.66 delta_h 4.91 kcal #Se4/Se6 548 -# SeO3-2 + H2O = SeO4-2 + 2H+ + 2e- +# SeO3-2 + H2O = SeO4-2 + 2H+ + 2e- # -30.256 0.0 #Se4/Se-2 549 -# SeO3-2 + 7H+ + 6e- = HSe- + 3H2O +# SeO3-2 + 7H+ + 6e- = HSe- + 3H2O # 42.514 0.0 #As3/As 557 -# H3AsO3 + 3H+ + 3e- = As + 3H2O +# H3AsO3 + 3H+ + 3e- = As + 3H2O # 12.170 0.0 #FeHCO3+ 558 Fe+2 + HCO3- = FeHCO3+ - log_k 2.0 + log_k 2 #FeCO3 559 - Fe+2 + CO3-2 = FeCO3 - log_k 4.38 + Fe+2 + CO3-2 = FeCO3 + log_k 4.38 #MnCO3 560 - Mn+2 + CO3-2 = MnCO3 - log_k 4.9 + Mn+2 + CO3-2 = MnCO3 + log_k 4.9 #BaHCO3+ 561 Ba+2 + HCO3- = BaHCO3+ - log_k 0.982 + log_k 0.982 delta_h 5.56 kcal - -analytical -3.0938 0.013669 0.0 0.0 0.0 + -analytical -3.0938 0.013669 0 0 0 #BaCO3 562 - Ba+2 + CO3-2 = BaCO3 - log_k 2.71 + Ba+2 + CO3-2 = BaCO3 + log_k 2.71 delta_h 3.55 kcal - -analytical 0.113 0.008721 0.0 0.0 0.0 + -analytical 0.113 0.008721 0 0 0 #SrSO4 563 - Sr+2 + SO4-2 = SrSO4 - log_k 2.29 + Sr+2 + SO4-2 = SrSO4 + log_k 2.29 delta_h 2.08 kcal #U+4 secondary master species 565 - UO2+2 + 4H+ + 2e- = U+4 + 2H2O - log_k 9.04 + UO2+2 + 4 H+ + 2 e- = U+4 + 2 H2O + log_k 9.04 delta_h -34.43 kcal #U+3 secondary master species 566 - U+4 + e- = U+3 - log_k -8.796 + U+4 + e- = U+3 + log_k -8.796 delta_h 24.4 kcal #UOH+3 567 - U+4 + H2O = UOH+3 + H+ - log_k -0.54 + U+4 + H2O = UOH+3 + H+ + log_k -0.54 delta_h 11.21 kcal #U(OH)2+2 568 - U+4 + 2H2O = U(OH)2+2 + 2H+ - log_k -2.27 + U+4 + 2 H2O = U(OH)2+2 + 2 H+ + log_k -2.27 delta_h 17.73 kcal #U(OH)3+ 569 - U+4 + 3H2O = U(OH)3+ + 3H+ - log_k -4.935 + U+4 + 3 H2O = U(OH)3+ + 3 H+ + log_k -4.935 delta_h 22.645 kcal #U(OH)4 570 - U+4 + 4H2O = U(OH)4 + 4H+ - log_k -8.498 + U+4 + 4 H2O = U(OH)4 + 4 H+ + log_k -8.498 delta_h 24.76 kcal #U6(OH)15+9 572 - 6U+4 + 15H2O = U6(OH)15+9 + 15H+ - log_k -17.2 + 6 U+4 + 15 H2O = U6(OH)15+9 + 15 H+ + log_k -17.2 #UF+3 578 - U+4 + F- = UF+3 - log_k 9.3 + U+4 + F- = UF+3 + log_k 9.3 delta_h -1.3 kcal #UF2+2 579 - U+4 + 2F- = UF2+2 - log_k 16.22 + U+4 + 2 F- = UF2+2 + log_k 16.22 delta_h -0.8 kcal #UF3+ 580 - U+4 + 3F- = UF3+ - log_k 21.6 + U+4 + 3 F- = UF3+ + log_k 21.6 delta_h 0.1 kcal #UF4 581 - U+4 + 4F- = UF4 - log_k 25.5 + U+4 + 4 F- = UF4 + log_k 25.5 delta_h -0.87 kcal #UF5- 582 - U+4 + 5F- = UF5- - log_k 27.01 + U+4 + 5 F- = UF5- + log_k 27.01 delta_h 4.85 kcal #UF6-2 583 - U+4 + 6F- = UF6-2 - log_k 29.1 + U+4 + 6 F- = UF6-2 + log_k 29.1 delta_h 3.3 kcal #UCl+3 586 - U+4 + Cl- = UCl+3 - log_k 1.72 + U+4 + Cl- = UCl+3 + log_k 1.72 delta_h -4.54 kcal #USO4+2 587 - U+4 + SO4-2 = USO4+2 - log_k 6.58 + U+4 + SO4-2 = USO4+2 + log_k 6.58 delta_h 1.9 kcal #U(SO4)2 588 - U+4 + 2SO4-2 = U(SO4)2 - log_k 10.5 + U+4 + 2 SO4-2 = U(SO4)2 + log_k 10.5 delta_h 7.8 kcal #U(CO3)4-4 589 - U+4 + 4CO3-2 = U(CO3)4-4 - log_k 32.9 + U+4 + 4 CO3-2 = U(CO3)4-4 + log_k 32.9 #U(CO3)5-6 590 - U+4 + 5CO3-2 = U(CO3)5-6 - log_k 34.0 - delta_h 20.0 kcal + U+4 + 5 CO3-2 = U(CO3)5-6 + log_k 34 + delta_h 20 kcal #UO2+ secondary master species 595 - UO2+2 + e- = UO2+ - log_k 1.49 + UO2+2 + e- = UO2+ + log_k 1.49 delta_h -3.3 kcal #UO2OH+ 596 - UO2+2 + H2O = UO2OH+ + H+ - log_k -5.2 + UO2+2 + H2O = UO2OH+ + H+ + log_k -5.2 delta_h 11.015 kcal #(UO2)2(OH)2+2 597 - 2UO2+2 + 2H2O = (UO2)2(OH)2+2 + 2H+ - log_k -5.62 + 2 UO2+2 + 2 H2O = (UO2)2(OH)2+2 + 2 H+ + log_k -5.62 delta_h 10.23 kcal #(UO2)3(OH)5+ 598 - 3UO2+2 + 5H2O = (UO2)3(OH)5+ + 5H+ - log_k -15.55 + 3 UO2+2 + 5 H2O = (UO2)3(OH)5+ + 5 H+ + log_k -15.55 delta_h 25.075 kcal #UO2CO3 603 - UO2+2 + CO3-2 = UO2CO3 - log_k 9.63 + UO2+2 + CO3-2 = UO2CO3 + log_k 9.63 delta_h 1.2 kcal #UO2(CO3)2-2 604 - UO2+2 + 2CO3-2 = UO2(CO3)2-2 - log_k 17.0 + UO2+2 + 2 CO3-2 = UO2(CO3)2-2 + log_k 17 delta_h 4.42 kcal #UO2(CO3)3-4 605 - UO2+2 + 3CO3-2 = UO2(CO3)3-4 - log_k 21.63 + UO2+2 + 3 CO3-2 = UO2(CO3)3-4 + log_k 21.63 delta_h -9.13 kcal #UO2F+ 607 - UO2+2 + F- = UO2F+ - log_k 5.09 + UO2+2 + F- = UO2F+ + log_k 5.09 delta_h 0.41 kcal #UO2F2 608 - UO2+2 + 2F- = UO2F2 - log_k 8.62 + UO2+2 + 2 F- = UO2F2 + log_k 8.62 delta_h 0.5 kcal #UO2F3- 609 - UO2+2 + 3F- = UO2F3- - log_k 10.9 + UO2+2 + 3 F- = UO2F3- + log_k 10.9 delta_h 0.56 kcal #UO2F4-2 610 - UO2+2 + 4F- = UO2F4-2 - log_k 11.7 + UO2+2 + 4 F- = UO2F4-2 + log_k 11.7 delta_h 0.07 kcal #UO2Cl+ 611 - UO2+2 + Cl- = UO2Cl+ - log_k 0.17 + UO2+2 + Cl- = UO2Cl+ + log_k 0.17 delta_h 1.9 kcal #UO2SO4 612 - UO2+2 + SO4-2 = UO2SO4 - log_k 3.15 + UO2+2 + SO4-2 = UO2SO4 + log_k 3.15 delta_h 4.7 kcal #UO2(SO4)2-2 613 - UO2+2 + 2SO4-2 = UO2(SO4)2-2 - log_k 4.14 + UO2+2 + 2 SO4-2 = UO2(SO4)2-2 + log_k 4.14 delta_h 8.4 kcal #UO2HPO4 614 - UO2+2 + PO4-3 + H+ = UO2HPO4 - log_k 20.21 + UO2+2 + PO4-3 + H+ = UO2HPO4 + log_k 20.21 delta_h -2.1 kcal #UO2(HPO4)2-2 615 - UO2+2 + 2PO4-3 + 2H+ = UO2(HPO4)2-2 - log_k 43.441 + UO2+2 + 2 PO4-3 + 2 H+ = UO2(HPO4)2-2 + log_k 43.441 delta_h -11.8 kcal #UO2H2PO4+ 616 - UO2+2 + PO4-3 + 2H+ = UO2H2PO4+ - log_k 22.87 + UO2+2 + PO4-3 + 2 H+ = UO2H2PO4+ + log_k 22.87 delta_h -3.7 kcal #UO2H2PO4)2 617 - UO2+2 + 2PO4-3 + 4H+ = UO2(H2PO4)2 - log_k 44.38 + UO2+2 + 2 PO4-3 + 4 H+ = UO2(H2PO4)2 + log_k 44.38 delta_h -16.5 kcal #UO2H2PO4)3- 618 - UO2+2 + 3PO4-3 + 6H+ = UO2(H2PO4)3- - log_k 66.245 + UO2+2 + 3 PO4-3 + 6 H+ = UO2(H2PO4)3- + log_k 66.245 delta_h -28.6 kcal #UBr+3 633 - U+4 + Br- = UBr+3 - log_k 1.5 + U+4 + Br- = UBr+3 + log_k 1.5 #UI+3 634 - U+4 + I- = UI+3 - log_k 1.3 + U+4 + I- = UI+3 + log_k 1.3 #UNO3+3 635 - U+4 + NO3- = UNO3+3 - log_k 1.47 + U+4 + NO3- = UNO3+3 + log_k 1.47 #U(NO3)2+2 636 - U+4 + 2NO3- = U(NO3)2+2 - log_k 2.3 + U+4 + 2 NO3- = U(NO3)2+2 + log_k 2.3 #UO2(OH)3- 638 - UO2+2 + 3H2O = UO2(OH)3- + 3H+ - log_k -19.2 + UO2+2 + 3 H2O = UO2(OH)3- + 3 H+ + log_k -19.2 #UO2(OH)4-2 639 - UO2+2 + 4H2O = UO2(OH)4-2 + 4H+ - log_k -33.0 + UO2+2 + 4 H2O = UO2(OH)4-2 + 4 H+ + log_k -33 #(UO2)2OH+3 640 - 2UO2+2 + H2O = (UO2)2OH+3 + H+ - log_k -2.7 + 2 UO2+2 + H2O = (UO2)2OH+3 + H+ + log_k -2.7 #(UO2)3(OH)4+2 641 - 3UO2+2 + 4H2O = (UO2)3(OH)4+2 + 4H+ - log_k -11.9 + 3 UO2+2 + 4 H2O = (UO2)3(OH)4+2 + 4 H+ + log_k -11.9 #(UO2)3(OH)7- 642 - 3UO2+2 + 7H2O = (UO2)3(OH)7- + 7H+ - log_k -31.0 + 3 UO2+2 + 7 H2O = (UO2)3(OH)7- + 7 H+ + log_k -31 #(UO2)4(OH)7+ 643 - 4UO2+2 + 7H2O = (UO2)4(OH)7+ + 7H+ - log_k -21.9 + 4 UO2+2 + 7 H2O = (UO2)4(OH)7+ + 7 H+ + log_k -21.9 #UO2Cl2 644 - UO2+2 + 2Cl- = UO2Cl2 - log_k -1.1 + UO2+2 + 2 Cl- = UO2Cl2 + log_k -1.1 delta_h 3.6 kcal #UO2Br+ 645 - UO2+2 + Br- = UO2Br+ - log_k 0.22 + UO2+2 + Br- = UO2Br+ + log_k 0.22 #UO2NO3+ 646 - UO2+2 + NO3- = UO2NO3+ - log_k 0.3 + UO2+2 + NO3- = UO2NO3+ + log_k 0.3 #UO2H3PO4+2 647 - UO2+2 + PO4-3 + 3H+ = UO2H3PO4+2 - log_k 22.813 + UO2+2 + PO4-3 + 3 H+ = UO2H3PO4+2 + log_k 22.813 #(UO2)3(CO3)6-6 648 - 3UO2+2 + 6CO3-2 = (UO2)3(CO3)6-6 - log_k 54.0 + 3 UO2+2 + 6 CO3-2 = (UO2)3(CO3)6-6 + log_k 54 #UO2PO4- 649 UO2+2 + PO4-3 = UO2PO4- - log_k 13.69 + log_k 13.69 #UO2(CO3)3-5 650 -# UO2+2 + 3CO3-2 + e- = UO2(CO3)3-5 +# UO2+2 + 3CO3-2 + e- = UO2(CO3)3-5 # log_k 8.920 - UO2+ + 3CO3-2 = UO2(CO3)3-5 - log_k 7.43 + UO2+ + 3 CO3-2 = UO2(CO3)3-5 + log_k 7.43 delta_h 3.33 kcal PHASES H2O(g) H2O = H2O - log_k 1.51 - delta_h -44.03 kJ + log_k 1.51 + delta_h -44.03 kJ # Stumm and Morgan, from NBS and Robie, Hemmingway, and Fischer (1978) -Siderite(d)(3) 9 - FeCO3 = Fe+2 + CO3-2 - log_k -10.45 +Siderite(d)(3) 9 + FeCO3 = Fe+2 + CO3-2 + log_k -10.45 -Magnesite 10 - MgCO3 = Mg+2 + CO3-2 - log_k -8.029 +Magnesite 10 + MgCO3 = Mg+2 + CO3-2 + log_k -8.029 delta_h -6.169 kcal -Dolomite(d) 11 - CaMg(CO3)2 = Ca+2 + Mg+2 + 2CO3-2 - log_k -16.54 +Dolomite(d) 11 + CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2 + log_k -16.54 delta_h -11.09 kcal -Calcite 12 - CaCO3 = Ca+2 + CO3-2 - log_k -8.48 +Calcite 12 + CaCO3 = Ca+2 + CO3-2 + log_k -8.48 delta_h -2.297 kcal - -analytical -171.9065 -0.077993 2839.319 71.595 0.0 + -analytical -171.9065 -0.077993 2839.319 71.595 0 -Anhydrite 17 - CaSO4 = Ca+2 + SO4-2 - log_k -4.36 +Anhydrite 17 + CaSO4 = Ca+2 + SO4-2 + log_k -4.36 delta_h -1.71 kcal - -analytical 197.52 0.0 -8669.8 -69.835 0.0 + -analytical 197.52 0 -8669.8 -69.835 0 -Gypsum 18 - CaSO4:2H2O = Ca+2 + SO4-2 + 2H2O - log_k -4.58 +Gypsum 18 + CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O + log_k -4.58 delta_h -0.109 kcal - -analytical 68.2401 0.0 -3221.51 -25.0627 0.0 + -analytical 68.2401 0 -3221.51 -25.0627 0 -Brucite 19 - Mg(OH)2 + 2H+ = Mg+2 + 2H2O - log_k 16.84 +Brucite 19 + Mg(OH)2 + 2 H+ = Mg+2 + 2 H2O + log_k 16.84 delta_h -27.1 kcal -Chrysotile 20 - Mg3Si2O5(OH)4 + 6H+ = 3Mg+2 + 2H4SiO4 + H2O - log_k 32.2 +Chrysotile 20 + Mg3Si2O5(OH)4 + 6 H+ = 3 Mg+2 + 2 H4SiO4 + H2O + log_k 32.2 delta_h -46.8 kcal - -analytical 13.248 0.0 10217.1 -6.1894 0.0 + -analytical 13.248 0 10217.1 -6.1894 0 -Aragonite 21 - CaCO3 = Ca+2 + CO3-2 - log_k -8.336 +Aragonite 21 + CaCO3 = Ca+2 + CO3-2 + log_k -8.336 delta_h -2.589 kcal - -analytical -171.9773 -0.077993 2903.293 71.595 0.0 + -analytical -171.9773 -0.077993 2903.293 71.595 0 -Forsterite 27 - Mg2SiO4 + 4H+ = 2Mg+2 + H4SiO4 - log_k 28.306 +Forsterite 27 + Mg2SiO4 + 4 H+ = 2 Mg+2 + H4SiO4 + log_k 28.306 delta_h -48.578 kcal -Diopside 28 - CaMgSi2O6 + 4H+ + 2H2O = Ca+2 + Mg+2 + 2H4SiO4 - log_k 19.894 +Diopside 28 + CaMgSi2O6 + 4 H+ + 2 H2O = Ca+2 + Mg+2 + 2 H4SiO4 + log_k 19.894 delta_h -32.348 kcal -Clinoenstatite 29 - MgSiO3 + 2H+ + H2O = Mg+2 + H4SiO4 - log_k 11.342 +Clinoenstatite 29 + MgSiO3 + 2 H+ + H2O = Mg+2 + H4SiO4 + log_k 11.342 delta_h -20.049 kcal -Tremolite 31 - Ca2Mg5Si8O22(OH)2+14H+ +8H2O = 2Ca+2 +5Mg+2 +8H4SiO4 - log_k 56.574 +Tremolite 31 + Ca2Mg5Si8O22(OH)2 + 14 H+ + 8 H2O = 2 Ca+2 + 5 Mg+2 + 8 H4SiO4 + log_k 56.574 delta_h -96.853 kcal -Sepiolite 36 - Mg2Si3O7.5OH:3H2O+0.5H2O+4H+ = 2Mg+2 +3H4SiO4 - log_k 15.76 +Sepiolite 36 + Mg2Si3O7.5OH:3H2O + 0.5 H2O + 4 H+ = 2 Mg+2 + 3 H4SiO4 + log_k 15.76 delta_h -10.7 kcal -Talc 37 - Mg3Si4O10(OH)2+4H2O+6H+=3Mg+2 +4H4SiO4 - log_k 21.399 +Talc 37 + Mg3Si4O10(OH)2 + 4 H2O + 6 H+ = 3 Mg+2 + 4 H4SiO4 + log_k 21.399 delta_h -46.352 kcal -Hydromagnesite 38 - Mg5(CO3)4(OH)2:4H2O + 2H+ = 5Mg+2 + 4CO3-2 + 6H2O - log_k -8.762 +Hydromagnesite 38 + Mg5(CO3)4(OH)2:4H2O + 2 H+ = 5 Mg+2 + 4 CO3-2 + 6 H2O + log_k -8.762 delta_h -52.244 kcal -Adularia 39 - KAlSi3O8 + 8H2O = K+ + Al(OH)4- + 3H4SiO4 - log_k -20.573 +Adularia 39 + KAlSi3O8 + 8 H2O = K+ + Al(OH)4- + 3 H4SiO4 + log_k -20.573 delta_h 30.82 kcal -Albite 40 - NaAlSi3O8 + 8H2O = Na+ + Al(OH)4- + 3H4SiO4 - log_k -18.002 +Albite 40 + NaAlSi3O8 + 8 H2O = Na+ + Al(OH)4- + 3 H4SiO4 + log_k -18.002 delta_h 25.896 kcal -Anorthite 41 - CaAl2Si2O8 + 8H2O = Ca+2 + 2Al(OH)4- + 2H4SiO4 - log_k -19.714 +Anorthite 41 + CaAl2Si2O8 + 8 H2O = Ca+2 + 2 Al(OH)4- + 2 H4SiO4 + log_k -19.714 delta_h 11.58 kcal -Analcime 42 - NaAlSi2O6:H2O + 5H2O = Na+ + Al(OH)4- + 2H4SiO4 - log_k -12.701 +Analcime 42 + NaAlSi2O6:H2O + 5 H2O = Na+ + Al(OH)4- + 2 H4SiO4 + log_k -12.701 delta_h 18.206 kcal -Kmica 43 - KAl3Si3O10(OH)2+10H+=K+ +3Al+3 +3H4SiO4 - log_k 12.703 +Kmica 43 + KAl3Si3O10(OH)2 + 10 H+ = K+ + 3 Al+3 + 3 H4SiO4 + log_k 12.703 delta_h -59.376 kcal -Phlogopite 44 - KMg3AlSi3O10(OH)2 + 10H+ = K+ + 3Mg+2 + Al+3 + 3H4SiO4 - log_k 43.3 - delta_h -42.30 kcal +Phlogopite 44 + KMg3AlSi3O10(OH)2 + 10 H+ = K+ + 3 Mg+2 + Al+3 + 3 H4SiO4 + log_k 43.3 + delta_h -42.3 kcal -Illite 45 - K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 11.2H2O = 0.6K+ +0.25Mg+2 + 2.3Al(OH)4- + 3.5H4SiO4 + 1.2H+ - log_k -40.267 +Illite 45 + K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 11.2 H2O = 0.6 K+ + 0.25 Mg+2 + 2.3 Al(OH)4- + 3.5 H4SiO4 + 1.2 H+ + log_k -40.267 delta_h 54.684 kcal -Kaolinite 46 - Al2Si2O5(OH)4 + 6H+ = 2Al+3 + 2H4SiO4 + H2O - log_k 7.435 +Kaolinite 46 + Al2Si2O5(OH)4 + 6 H+ = 2 Al+3 + 2 H4SiO4 + H2O + log_k 7.435 delta_h -35.3 kcal -Halloysite 47 - Al2Si2O5(OH)4 + 6H+ = 2Al+3 + 2H4SiO4 + H2O - log_k 12.498 - delta_h -39.920 kcal +Halloysite 47 + Al2Si2O5(OH)4 + 6 H+ = 2 Al+3 + 2 H4SiO4 + H2O + log_k 12.498 + delta_h -39.92 kcal -Beidellite 48 - (NaKMg0.5)0.11Al2.33Si3.67O10(OH)2 + 12H2O = 0.11Na+ + 0.11K+ + 0.055Mg+2 + 2.33Al(OH)4- + 3.67H4SiO4 + 2H+ - log_k -45.272 +Beidellite 48 + (NaKMg0.5)0.11Al2.33Si3.67O10(OH)2 + 12 H2O = 0.11 Na+ + 0.11 K+ + 0.055 Mg+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H+ + log_k -45.272 delta_h 60.355 kcal -Chlorite14A 49 - Mg5Al2Si3O10(OH)8 + 16H+ = 5Mg+2 + 2Al+3 + 3H4SiO4 + 6H2O - log_k 68.38 +Chlorite14A 49 + Mg5Al2Si3O10(OH)8 + 16 H+ = 5 Mg+2 + 2 Al+3 + 3 H4SiO4 + 6 H2O + log_k 68.38 delta_h -151.494 kcal -Alunite 50 - KAl3(SO4)2(OH)6 + 6H+ = K+ + 3Al+3 + 2SO4-2 + 6H2O - log_k -1.4 +Alunite 50 + KAl3(SO4)2(OH)6 + 6 H+ = K+ + 3 Al+3 + 2 SO4-2 + 6 H2O + log_k -1.4 delta_h -50.25 kcal -Gibbsite 51 - Al(OH)3 + 3H+ = Al+3 + 3H2O - log_k 8.11 +Gibbsite 51 + Al(OH)3 + 3 H+ = Al+3 + 3 H2O + log_k 8.11 delta_h -22.8 kcal -Boehmite 52 - AlOOH + 3H+ = Al+3 + 2H2O - log_k 8.584 +Boehmite 52 + AlOOH + 3 H+ = Al+3 + 2 H2O + log_k 8.584 delta_h -28.181 kcal -Pyrophyllite 53 - Al2Si4O10(OH)2 + 12H2O = 2Al(OH)4- + 4H4SiO4 + 2H+ - log_k -48.314 +Pyrophyllite 53 + Al2Si4O10(OH)2 + 12 H2O = 2 Al(OH)4- + 4 H4SiO4 + 2 H+ + log_k -48.314 -Phillipsite 54 - Na0.5K0.5AlSi3O8:H2O + 7H2O = 0.5Na+ +0.5K+ + Al(OH)4- + 3H4SiO4 - log_k -19.874 +Phillipsite 54 + Na0.5K0.5AlSi3O8:H2O + 7 H2O = 0.5 Na+ + 0.5 K+ + Al(OH)4- + 3 H4SiO4 + log_k -19.874 -Nahcolite 58 +Nahcolite 58 NaHCO3 = Na+ + HCO3- - log_k -0.548 - delta_h 3.720 kcal + log_k -0.548 + delta_h 3.72 kcal -Trona 59 - NaHCO3:Na2CO3:2H2O = 2H2O + 3Na+ + CO3-2 + HCO3- - log_k -0.795 - delta_h -18.0 kcal +Trona 59 + NaHCO3:Na2CO3:2H2O = 2 H2O + 3 Na+ + CO3-2 + HCO3- + log_k -0.795 + delta_h -18 kcal -Natron 60 - Na2CO3:10H2O = 2Na+ + CO3-2 + 10H2O - log_k -1.311 +Natron 60 + Na2CO3:10H2O = 2 Na+ + CO3-2 + 10 H2O + log_k -1.311 delta_h 15.745 kcal -Thermonatrite 61 - Na2CO3:H2O = 2Na+ + CO3-2 + H2O - log_k 0.125 +Thermonatrite 61 + Na2CO3:H2O = 2 Na+ + CO3-2 + H2O + log_k 0.125 delta_h -2.802 kcal -Fluorite 62 - CaF2 = Ca+2 + 2F- - log_k -10.6 +Fluorite 62 + CaF2 = Ca+2 + 2 F- + log_k -10.6 delta_h 4.69 kcal - -analytical 66.348 0.0 -4298.2 -25.271 0.0 + -analytical 66.348 0 -4298.2 -25.271 0 -Montmorillonite-Ca 63 - Ca0.165Al2.33Si3.67O10(OH)2 + 12H2O = 0.165Ca+2 + 2.33Al(OH)4- + 3.67H4SiO4 + 2H+ - log_k -45.027 +Montmorillonite-Ca 63 + Ca0.165Al2.33Si3.67O10(OH)2 + 12 H2O = 0.165 Ca+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H+ + log_k -45.027 delta_h 58.373 kcal -Halite 64 - NaCl = Na+ + Cl- - log_k 1.582 +Halite 64 + NaCl = Na+ + Cl- + log_k 1.582 delta_h 0.918 kcal -Thenardite 65 - Na2SO4 = 2Na+ + SO4-2 - log_k -0.179 +Thenardite 65 + Na2SO4 = 2 Na+ + SO4-2 + log_k -0.179 delta_h -0.572 kcal -Mirabilite 66 - Na2SO4:10H2O = 2Na+ + SO4-2 + 10H2O - log_k -1.114 +Mirabilite 66 + Na2SO4:10H2O = 2 Na+ + SO4-2 + 10 H2O + log_k -1.114 delta_h 18.987 kcal -Mackinawite 67 - FeS + H+ = Fe+2 + HS- - log_k -4.648 +Mackinawite 67 + FeS + H+ = Fe+2 + HS- + log_k -4.648 -Siderite 94 - FeCO3 = Fe+2 + CO3-2 - log_k -10.89 +Siderite 94 + FeCO3 = Fe+2 + CO3-2 + log_k -10.89 delta_h -2.48 kcal -Hydroxyapatite 95 - Ca5(PO4)3OH + 4H+ = 5Ca+2 + 3HPO4-2 + H2O - log_k -3.421 +Hydroxyapatite 95 + Ca5(PO4)3OH + 4 H+ = 5 Ca+2 + 3 HPO4-2 + H2O + log_k -3.421 delta_h -36.155 kcal -Fluorapatite 96 - Ca5(PO4)3F + 3H+ = 5Ca+2 + 3HPO4-2 + F- - log_k -17.6 - delta_h -20.070 kcal +Fluorapatite 96 + Ca5(PO4)3F + 3 H+ = 5 Ca+2 + 3 HPO4-2 + F- + log_k -17.6 + delta_h -20.07 kcal -Chalcedony 97 - SiO2 + 2H2O = H4SiO4 - log_k -3.55 +Chalcedony 97 + SiO2 + 2 H2O = H4SiO4 + log_k -3.55 delta_h 4.72 kcal - -analytical -0.09 0.0 -1032.0 0.0 0.0 + -analytical -0.09 0 -1032 0 0 -Magadiite 98 - NaSi7O13(OH)3:3H2O + H+ + 9H2O = Na+ + 7H4SiO4 - log_k -14.3 +Magadiite 98 + NaSi7O13(OH)3:3H2O + H+ + 9 H2O = Na+ + 7 H4SiO4 + log_k -14.3 -Cristobalite 99 - SiO2 + 2H2O = H4SiO4 - log_k -3.587 +Cristobalite 99 + SiO2 + 2 H2O = H4SiO4 + log_k -3.587 delta_h 5.5 kcal -Silicagel 100 - SiO2 + 2H2O = H4SiO4 - log_k -3.018 - delta_h 4.440 kcal +Silicagel 100 + SiO2 + 2 H2O = H4SiO4 + log_k -3.018 + delta_h 4.44 kcal -Quartz 101 - SiO2 + 2H2O = H4SiO4 - log_k -3.98 +Quartz 101 + SiO2 + 2 H2O = H4SiO4 + log_k -3.98 delta_h 5.99 kcal - -analytical 0.41 0.0 -1309.0 0.0 0.0 + -analytical 0.41 0 -1309 0 0 -Vivianite 106 - Fe3(PO4)2:8H2O = 3Fe+2 + 2PO4-3 + 8H2O - log_k -36.0 +Vivianite 106 + Fe3(PO4)2:8H2O = 3 Fe+2 + 2 PO4-3 + 8 H2O + log_k -36 -Magnetite 107 - Fe3O4 + 8H+ = 2Fe+3 + Fe+2 + 4H2O - log_k 3.737 - delta_h -50.460 kcal +Magnetite 107 + Fe3O4 + 8 H+ = 2 Fe+3 + Fe+2 + 4 H2O + log_k 3.737 + delta_h -50.46 kcal -Hematite 108 - Fe2O3 + 6H+ = 2Fe+3 + 3H2O - log_k -4.008 +Hematite 108 + Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O + log_k -4.008 delta_h -30.845 kcal -Maghemite 109 - Fe2O3 + 6H+ = 2Fe+3 + 3H2O - log_k 6.386 +Maghemite 109 + Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O + log_k 6.386 -Goethite 110 - FeOOH + 3H+ = Fe+3 + 2H2O - log_k -1.0 - delta_h -14.48 kcal +Goethite 110 + FeOOH + 3 H+ = Fe+3 + 2 H2O + log_k -1 + delta_h -14.48 kcal -Greenalite 111 - Fe3Si2O5(OH)4 + 6H+ = 3Fe+2 + 2 H4SiO4 + H2O - log_k 20.810 +Greenalite 111 + Fe3Si2O5(OH)4 + 6 H+ = 3 Fe+2 + 2 H4SiO4 + H2O + log_k 20.81 -Fe(OH)3(a) 112 - Fe(OH)3 + 3H+ = Fe+3 + 3H2O - log_k 4.891 +Fe(OH)3(a) 112 + Fe(OH)3 + 3 H+ = Fe+3 + 3 H2O + log_k 4.891 -Annite 113 - KFe3AlSi3O10(OH)2 + 10H2O = K+ + 3Fe+2 + Al(OH)4- + 3H4SiO4 + 6OH- - log_k -85.645 - delta_h 62.480 kcal +Annite 113 + KFe3AlSi3O10(OH)2 + 10 H2O = K+ + 3 Fe+2 + Al(OH)4- + 3 H4SiO4 + 6 OH- + log_k -85.645 + delta_h 62.48 kcal -Pyrite 114 - FeS2 + 2H+ + 2e- = Fe+2 + 2HS- - log_k -18.479 +Pyrite 114 + FeS2 + 2 H+ + 2 e- = Fe+2 + 2 HS- + log_k -18.479 delta_h 11.3 kcal -Montmorillonite-BelleFourche 115 - (HNaK)0.09Mg0.29Fe0.24Al1.57Si3.93O10(OH)2 + 10H2O = 0.09H+ + 0.09Na+ + 0.09K+ + 0.29Mg+2 + 0.24Fe+3 + 1.57Al(OH)4- + 3.93H4SiO4 - log_k -34.913 +Montmorillonite-BelleFourche 115 + (HNaK)0.09Mg0.29Fe0.24Al1.57Si3.93O10(OH)2 + 10 H2O = 0.09 H+ + 0.09 Na+ + 0.09 K+ + 0.29 Mg+2 + 0.24 Fe+3 + 1.57 Al(OH)4- + 3.93 H4SiO4 + log_k -34.913 -Montmorillonite-Aberdeen 116 - (HNaK)0.14Mg0.45Fe0.33Al1.47Si3.82O10(OH)2 + 9.16H2O + 0.84H+ = 0.14H+ + 0.14Na+ + 0.14K+ + 0.45Mg+2 + 0.33Fe+3 + 1.47Al(OH)4- + 3.82H4SiO4 - log_k -29.688 +Montmorillonite-Aberdeen 116 + (HNaK)0.14Mg0.45Fe0.33Al1.47Si3.82O10(OH)2 + 9.16 H2O + 0.84 H+ = 0.14 H+ + 0.14 Na+ + 0.14 K+ + 0.45 Mg+2 + 0.33 Fe+3 + 1.47 Al(OH)4- + 3.82 H4SiO4 + log_k -29.688 -Huntite 117 - CaMg3(CO3)4 = 3Mg+2 + Ca+2 + 4CO3-2 - log_k -29.968 - delta_h -25.760 kcal +Huntite 117 + CaMg3(CO3)4 = 3 Mg+2 + Ca+2 + 4 CO3-2 + log_k -29.968 + delta_h -25.76 kcal -Greigite 118 - Fe3S4 + 4H+ = 2Fe+3 + Fe+2 + 4HS- - log_k -45.035 +Greigite 118 + Fe3S4 + 4 H+ = 2 Fe+3 + Fe+2 + 4 HS- + log_k -45.035 -FeS(ppt) 119 - FeS + H+ = Fe+2 + HS- - log_k -3.915 +FeS(ppt) 119 + FeS + H+ = Fe+2 + HS- + log_k -3.915 -Chlorite7A 125 - Mg5Al2Si3O10(OH)8 + 16H+ = 5Mg+2 + 2Al+3 +3H4SiO4 + 6H2O - log_k 71.752 +Chlorite7A 125 + Mg5Al2Si3O10(OH)8 + 16 H+ = 5 Mg+2 + 2 Al+3 + 3 H4SiO4 + 6 H2O + log_k 71.752 delta_h -155.261 kcal -Laumontite 128 - CaAl2Si4O12:4H2O + 8H2O = Ca+2 + 2Al(OH)4- + 4H4SiO4 - log_k -30.960 - delta_h 39.610 kcal +Laumontite 128 + CaAl2Si4O12:4H2O + 8 H2O = Ca+2 + 2 Al(OH)4- + 4 H4SiO4 + log_k -30.96 + delta_h 39.61 kcal -Jarosite(ss) 133 - (K0.77Na0.03H0.2)Fe3(SO4)2(OH)6 + 5.8H+ = 0.77K+ + 0.03Na+ + 3Fe+3 + 2SO4-2 + 6H2O - log_k -9.83 # WATEQ4F, Alpers and others, 1989 +Jarosite(ss) 133 + (K0.77Na0.03H0.2)Fe3(SO4)2(OH)6 + 5.8 H+ = 0.77 K+ + 0.03 Na+ + 3 Fe+3 + 2 SO4-2 + 6 H2O + log_k -9.83 # WATEQ4F, Alpers and others, 1989 -Mn2(SO4)3 134 - Mn2(SO4)3 = 2Mn+3 + 3SO4-2 - log_k -5.711 - delta_h -39.060 kcal +Mn2(SO4)3 134 + Mn2(SO4)3 = 2 Mn+3 + 3 SO4-2 + log_k -5.711 + delta_h -39.06 kcal -Al(OH)3(a) 140 - Al(OH)3 + 3H+ = Al+3 + 3H2O - log_k 10.8 +Al(OH)3(a) 140 + Al(OH)3 + 3 H+ = Al+3 + 3 H2O + log_k 10.8 delta_h -26.5 kcal -Prehnite 141 - Ca2Al2Si3O10(OH)2 + 8H2O + 2H+ = 2Ca+2 + 2Al(OH)4- + 3H4SiO4 - log_k -11.695 - delta_h 10.390 kcal +Prehnite 141 + Ca2Al2Si3O10(OH)2 + 8 H2O + 2 H+ = 2 Ca+2 + 2 Al(OH)4- + 3 H4SiO4 + log_k -11.695 + delta_h 10.39 kcal -Strontianite 142 - SrCO3 = Sr+2 + CO3-2 - log_k -9.271 +Strontianite 142 + SrCO3 = Sr+2 + CO3-2 + log_k -9.271 delta_h -0.4 kcal - -analytical 155.0305 0.0 -7239.594 -56.58638 0.0 + -analytical 155.0305 0 -7239.594 -56.58638 0 -Celestite 143 - SrSO4 = Sr+2 + SO4-2 - log_k -6.63 +Celestite 143 + SrSO4 = Sr+2 + SO4-2 + log_k -6.63 delta_h -1.037 kcal - -analytical -14805.9622 -2.4660924 756968.533 5436.3588 -40553604. + -analytical -14805.9622 -2.4660924 756968.533 5436.3588 -40553604 -Barite 144 - BaSO4 = Ba+2 + SO4-2 - log_k -9.97 +Barite 144 + BaSO4 = Ba+2 + SO4-2 + log_k -9.97 delta_h 6.35 kcal - -analytical 136.035 0.0 -7680.41 -48.595 0.0 + -analytical 136.035 0 -7680.41 -48.595 0 -Witherite 145 - BaCO3 = Ba+2 + CO3-2 - log_k -8.562 +Witherite 145 + BaCO3 = Ba+2 + CO3-2 + log_k -8.562 delta_h 0.703 kcal - -analytical 607.642 0.121098 -20011.25 -236.4948 0.0 + -analytical 607.642 0.121098 -20011.25 -236.4948 0 -Strengite 146 - FePO4:2H2O = Fe+3 + PO4-3 + 2H2O - log_k -26.4 - delta_h -2.030 kcal +Strengite 146 + FePO4:2H2O = Fe+3 + PO4-3 + 2 H2O + log_k -26.4 + delta_h -2.03 kcal -Leonhardite 147 - Ca2Al4Si8O24:7H2O + 17H2O = 2Ca+2 + 4Al(OH)4- + 8H4SiO4 - log_k -69.756 - delta_h 90.070 kcal +Leonhardite 147 + Ca2Al4Si8O24:7H2O + 17 H2O = 2 Ca+2 + 4 Al(OH)4- + 8 H4SiO4 + log_k -69.756 + delta_h 90.07 kcal -Nesquehonite 149 - MgCO3:3H2O = Mg+2 + CO3-2 + 3H2O - log_k -5.621 +Nesquehonite 149 + MgCO3:3H2O = Mg+2 + CO3-2 + 3 H2O + log_k -5.621 delta_h -5.789 kcal -Artinite 150 - MgCO3:Mg(OH)2:3H2O + 2H+ = 2Mg+2 + CO3-2 + 5H2O - log_k 9.6 +Artinite 150 + MgCO3:Mg(OH)2:3H2O + 2 H+ = 2 Mg+2 + CO3-2 + 5 H2O + log_k 9.6 delta_h -28.742 kcal -Sepiolite(d) 153 - Mg2Si3O7.5OH:3H2O+0.5H2O+4H+=2Mg+2 +3H4SiO4 - log_k 18.66 +Sepiolite(d) 153 + Mg2Si3O7.5OH:3H2O + 0.5 H2O + 4 H+ = 2 Mg+2 + 3 H4SiO4 + log_k 18.66 -Diaspore 154 - AlOOH + 3H+ = Al+3 + 2H2O - log_k 6.879 +Diaspore 154 + AlOOH + 3 H+ = Al+3 + 2 H2O + log_k 6.879 delta_h -24.681 kcal -Wairakite 155 - CaAl2Si4O12:2H2O + 10H2O = Ca+2 + 2Al(OH)4- + 4H4SiO4 - log_k -26.708 - delta_h 26.140 kcal +Wairakite 155 + CaAl2Si4O12:2H2O + 10 H2O = Ca+2 + 2 Al(OH)4- + 4 H4SiO4 + log_k -26.708 + delta_h 26.14 kcal -Fe(OH)2.7Cl.3 181 - Fe(OH)2.7Cl0.3 + 2.7H+ = Fe+3 + 2.7H2O + 0.3 Cl- - log_k -3.040 +Fe(OH)2.7Cl.3 181 + Fe(OH)2.7Cl0.3 + 2.7 H+ = Fe+3 + 2.7 H2O + 0.3 Cl- + log_k -3.04 -MnSO4 182 - MnSO4 = Mn+2 + SO4-2 - log_k 2.669 - delta_h -15.480 kcal +MnSO4 182 + MnSO4 = Mn+2 + SO4-2 + log_k 2.669 + delta_h -15.48 kcal -Pyrolusite 183 - MnO2 + 4H+ + 2e- = Mn+2 + 2H2O - log_k 41.38 +Pyrolusite 183 + MnO2 + 4 H+ + 2 e- = Mn+2 + 2 H2O + log_k 41.38 delta_h -65.11 kcal -Birnessite 184 - MnO2 + 4H+ + 2e- = Mn+2 + 2H2O - log_k 43.601 +Birnessite 184 + MnO2 + 4 H+ + 2 e- = Mn+2 + 2 H2O + log_k 43.601 -Nsutite 185 - MnO2 + 4H+ + 2e- = Mn+2 + 2H2O - log_k 42.564 +Nsutite 185 + MnO2 + 4 H+ + 2 e- = Mn+2 + 2 H2O + log_k 42.564 -Bixbyite 186 - Mn2O3 + 6H+ = 2Mn+3 + 3H2O - log_k -0.611 +Bixbyite 186 + Mn2O3 + 6 H+ = 2 Mn+3 + 3 H2O + log_k -0.611 delta_h -15.245 kcal -Hausmannite 187 - Mn3O4 + 8H+ + 2e- = 3Mn+2 + 4H2O - log_k 61.03 +Hausmannite 187 + Mn3O4 + 8 H+ + 2 e- = 3 Mn+2 + 4 H2O + log_k 61.03 delta_h -100.64 kcal -Pyrochroite 188 - Mn(OH)2 + 2H+ = Mn+2 + 2H2O - log_k 15.2 - -Manganite 189 - MnOOH + 3H+ + e- = Mn+2 + 2H2O - log_k 25.340 - -Rhodochrosite(d) 190 - MnCO3 = Mn+2 + CO3-2 - log_k -10.390 - -MnCl2:4H2O 191 - MnCl2:4H2O = Mn+2 + 2Cl- + 4H2O - log_k 2.710 - delta_h 17.380 kcal - -MnS(Green) 192 - MnS + H+ = Mn+2 + HS- - log_k 3.8 - delta_h -5.790 kcal - -Mn3(PO4)2 193 - Mn3(PO4)2 = 3Mn+2 + 2PO4-3 - log_k -23.827 - delta_h 2.120 kcal - -MnHPO4 194 - MnHPO4 = Mn+2 + HPO4-2 - log_k -12.947 - -Jarosite-Na 204 - NaFe3(SO4)2(OH)6 + 6H+ = Na+ + 3Fe+3 + 2SO4-2 + 6H2O - log_k -5.280 - delta_h -36.180 kcal - -Jarosite-K 205 - KFe3(SO4)2(OH)6 + 6H+ = K+ + 3Fe+3 + 2SO4-2 + 6H2O - log_k -9.21 +Pyrochroite 188 + Mn(OH)2 + 2 H+ = Mn+2 + 2 H2O + log_k 15.2 + +Manganite 189 + MnOOH + 3 H+ + e- = Mn+2 + 2 H2O + log_k 25.34 + +Rhodochrosite(d) 190 + MnCO3 = Mn+2 + CO3-2 + log_k -10.39 + +MnCl2:4H2O 191 + MnCl2:4H2O = Mn+2 + 2 Cl- + 4 H2O + log_k 2.71 + delta_h 17.38 kcal + +MnS(Green) 192 + MnS + H+ = Mn+2 + HS- + log_k 3.8 + delta_h -5.79 kcal + +Mn3(PO4)2 193 + Mn3(PO4)2 = 3 Mn+2 + 2 PO4-3 + log_k -23.827 + delta_h 2.12 kcal + +MnHPO4 194 + MnHPO4 = Mn+2 + HPO4-2 + log_k -12.947 + +Jarosite-Na 204 + NaFe3(SO4)2(OH)6 + 6 H+ = Na+ + 3 Fe+3 + 2 SO4-2 + 6 H2O + log_k -5.28 + delta_h -36.18 kcal + +Jarosite-K 205 + KFe3(SO4)2(OH)6 + 6 H+ = K+ + 3 Fe+3 + 2 SO4-2 + 6 H2O + log_k -9.21 delta_h -31.28 kcal -CuMetal 223 - Cu = Cu+ + e- - log_k -8.760 - delta_h 17.130 kcal +CuMetal 223 + Cu = Cu+ + e- + log_k -8.76 + delta_h 17.13 kcal -Nantokite 224 - CuCl = Cu+ + Cl- - log_k -6.760 - delta_h 9.980 kcal +Nantokite 224 + CuCl = Cu+ + Cl- + log_k -6.76 + delta_h 9.98 kcal -CuF 225 - CuF = Cu+ + F- - log_k 7.080 - delta_h -12.370 kcal +CuF 225 + CuF = Cu+ + F- + log_k 7.08 + delta_h -12.37 kcal -Cuprite 226 - Cu2O + 2H+ = 2Cu+ + H2O - log_k -1.550 +Cuprite 226 + Cu2O + 2 H+ = 2 Cu+ + H2O + log_k -1.55 delta_h 6.245 kcal -Chalcocite 227 - Cu2S + H+ = 2Cu+ + HS- - log_k -34.619 - delta_h 49.350 kcal +Chalcocite 227 + Cu2S + H+ = 2 Cu+ + HS- + log_k -34.619 + delta_h 49.35 kcal -Cu2SO4 228 - Cu2SO4 = 2Cu+ + SO4-2 - log_k -1.950 - delta_h -4.560 kcal +Cu2SO4 228 + Cu2SO4 = 2 Cu+ + SO4-2 + log_k -1.95 + delta_h -4.56 kcal -CuprousFerrite 229 - CuFeO2 + 4H+ = Cu+ + Fe+3 + 2H2O - log_k -8.920 +CuprousFerrite 229 + CuFeO2 + 4 H+ = Cu+ + Fe+3 + 2 H2O + log_k -8.92 delta_h -3.8 kcal -Melanothallite 230 - CuCl2 = Cu+2 + 2Cl- - log_k 3.730 - delta_h -12.320 kcal - -CuCO3 231 - CuCO3 = Cu+2 + CO3-2 - log_k -9.630 - -CuF2 232 - CuF2 = Cu+2 + 2F- - log_k -0.620 - delta_h -13.320 kcal - -CuF2:2H2O 233 - CuF2:2H2O = Cu+2 + 2F- + 2H2O - log_k -4.550 - delta_h -3.650 kcal - -Cu(OH)2 234 - Cu(OH)2 + 2H+ = Cu+2 + 2H2O - log_k 8.640 - delta_h -15.250 kcal - -Malachite 235 - Cu2(OH)2CO3 + 3H+ = 2Cu+2 + 2H2O + HCO3- - log_k 5.150 - delta_h -19.760 kcal - -Azurite 236 - Cu3(OH)2(CO3)2 + 4H+ = 3Cu+2 + 2H2O + 2HCO3- - log_k 3.750 - delta_h -30.870 kcal - -Atacamite 237 - Cu2(OH)3Cl + 3H+ = 2Cu+2 + 3H2O + Cl- - log_k 7.340 - delta_h -18.690 kcal - -Cu2(OH)3NO3 238 - Cu2(OH)3NO3 + 3H+ = 2Cu+2 + 3H2O + NO3- - log_k 9.240 - delta_h -17.350 kcal - -Antlerite 239 - Cu3(OH)4SO4 + 4H+ = 3Cu+2 + 4H2O + SO4-2 - log_k 8.290 - -Brochantite 240 - Cu4(OH)6SO4 + 6H+ = 4Cu+2 + 6H2O + SO4-2 - log_k 15.340 - -Langite 241 - Cu4(OH)6SO4:H2O + 6H+ = 4Cu+2 + 7H2O + SO4-2 - log_k 16.790 - delta_h -39.610 kcal - -Tenorite 242 - CuO + 2H+ = Cu+2 + H2O - log_k 7.620 - delta_h -15.240 kcal - -CuOCuSO4 243 - CuO:CuSO4 + 2H+ = 2Cu+2 + H2O + SO4-2 - log_k 11.530 +Melanothallite 230 + CuCl2 = Cu+2 + 2 Cl- + log_k 3.73 + delta_h -12.32 kcal + +CuCO3 231 + CuCO3 = Cu+2 + CO3-2 + log_k -9.63 + +CuF2 232 + CuF2 = Cu+2 + 2 F- + log_k -0.62 + delta_h -13.32 kcal + +CuF2:2H2O 233 + CuF2:2H2O = Cu+2 + 2 F- + 2 H2O + log_k -4.55 + delta_h -3.65 kcal + +Cu(OH)2 234 + Cu(OH)2 + 2 H+ = Cu+2 + 2 H2O + log_k 8.64 + delta_h -15.25 kcal + +Malachite 235 + Cu2(OH)2CO3 + 3 H+ = 2 Cu+2 + 2 H2O + HCO3- + log_k 5.15 + delta_h -19.76 kcal + +Azurite 236 + Cu3(OH)2(CO3)2 + 4 H+ = 3 Cu+2 + 2 H2O + 2 HCO3- + log_k 3.75 + delta_h -30.87 kcal + +Atacamite 237 + Cu2(OH)3Cl + 3 H+ = 2 Cu+2 + 3 H2O + Cl- + log_k 7.34 + delta_h -18.69 kcal + +Cu2(OH)3NO3 238 + Cu2(OH)3NO3 + 3 H+ = 2 Cu+2 + 3 H2O + NO3- + log_k 9.24 + delta_h -17.35 kcal + +Antlerite 239 + Cu3(OH)4SO4 + 4 H+ = 3 Cu+2 + 4 H2O + SO4-2 + log_k 8.29 + +Brochantite 240 + Cu4(OH)6SO4 + 6 H+ = 4 Cu+2 + 6 H2O + SO4-2 + log_k 15.34 + +Langite 241 + Cu4(OH)6SO4:H2O + 6 H+ = 4 Cu+2 + 7 H2O + SO4-2 + log_k 16.79 + delta_h -39.61 kcal + +Tenorite 242 + CuO + 2 H+ = Cu+2 + H2O + log_k 7.62 + delta_h -15.24 kcal + +CuOCuSO4 243 + CuO:CuSO4 + 2 H+ = 2 Cu+2 + H2O + SO4-2 + log_k 11.53 delta_h -35.575 kcal -Cu3(PO4)2 244 - Cu3(PO4)2 = 3Cu+2 + 2PO4-3 - log_k -36.850 - -Cu3(PO4)2:3H2O 245 - Cu3(PO4)2:3H2O = 3Cu+2 + 2PO4-3 + 3H2O - log_k -35.120 - -Covellite 246 - CuS + H+ = Cu+2 + HS- - log_k -22.270 - delta_h 24.010 kcal - -CuSO4 247 - CuSO4 = Cu+2 + SO4-2 - log_k 3.010 - delta_h -18.140 kcal - -Chalcanthite 248 - CuSO4:5H2O = Cu+2 + SO4-2 + 5H2O - log_k -2.640 - delta_h 1.440 kcal - -CupricFerrite 249 - CuFe2O4 + 8H+ = Cu+2 + 2Fe+3 + 4H2O - log_k 5.880 - delta_h -38.690 kcal - -Chalcopyrite 250 - CuFeS2 + 2H+ = Cu+2 + Fe+2 + 2HS- - log_k -35.270 - delta_h 35.480 kcal - -ZnMetal 265 - Zn = Zn+2 + 2e- - log_k 25.757 - delta_h -36.780 kcal - -Zn(BO2)2 266 - Zn(BO2)2 + 2H2O + 2H+ = Zn+2 + 2H3BO3 - log_k 8.290 - -ZnCl2 267 - ZnCl2 = Zn+2 + 2Cl- - log_k 7.030 - delta_h -17.480 kcal - -Smithsonite 268 - ZnCO3 = Zn+2 + CO3-2 - log_k -10.0 +Cu3(PO4)2 244 + Cu3(PO4)2 = 3 Cu+2 + 2 PO4-3 + log_k -36.85 + +Cu3(PO4)2:3H2O 245 + Cu3(PO4)2:3H2O = 3 Cu+2 + 2 PO4-3 + 3 H2O + log_k -35.12 + +Covellite 246 + CuS + H+ = Cu+2 + HS- + log_k -22.27 + delta_h 24.01 kcal + +CuSO4 247 + CuSO4 = Cu+2 + SO4-2 + log_k 3.01 + delta_h -18.14 kcal + +Chalcanthite 248 + CuSO4:5H2O = Cu+2 + SO4-2 + 5 H2O + log_k -2.64 + delta_h 1.44 kcal + +CupricFerrite 249 + CuFe2O4 + 8 H+ = Cu+2 + 2 Fe+3 + 4 H2O + log_k 5.88 + delta_h -38.69 kcal + +Chalcopyrite 250 + CuFeS2 + 2 H+ = Cu+2 + Fe+2 + 2 HS- + log_k -35.27 + delta_h 35.48 kcal + +ZnMetal 265 + Zn = Zn+2 + 2 e- + log_k 25.757 + delta_h -36.78 kcal + +Zn(BO2)2 266 + Zn(BO2)2 + 2 H2O + 2 H+ = Zn+2 + 2 H3BO3 + log_k 8.29 + +ZnCl2 267 + ZnCl2 = Zn+2 + 2 Cl- + log_k 7.03 + delta_h -17.48 kcal + +Smithsonite 268 + ZnCO3 = Zn+2 + CO3-2 + log_k -10 delta_h -4.36 kcal -ZnCO3:H2O 269 - ZnCO3:H2O = Zn+2 + CO3-2 + H2O - log_k -10.260 - -ZnF2 270 - ZnF2 = Zn+2 + 2F- - log_k -1.520 - delta_h -13.080 kcal - -Zn(OH)2-a 271 - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 12.450 - -Zn(OH)2-c 272 - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 12.2 - -Zn(OH)2-b 273 - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 11.750 - -Zn(OH)2-g 274 - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 11.710 - -Zn(OH)2-e 275 - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 11.5 - -Zn2(OH)3Cl 276 - Zn2(OH)3Cl + 3H+= 2Zn+2 + 3H2O + Cl- - log_k 15.2 - -Zn5(OH)8Cl2 277 - Zn5(OH)8Cl2 + 8H+ = 5Zn+2 + 8H2O + 2Cl- - log_k 38.5 - -Zn2(OH)2SO4 278 - Zn2(OH)2SO4 + 2H+ = 2Zn+2 + 2H2O + SO4-2 - log_k 7.5 - -Zn4(OH)6SO4 279 - Zn4(OH)6SO4 + 6H+ = 4Zn+2 + 6H2O + SO4-2 - log_k 28.4 - -Zn(NO3)2:6H2O 280 - Zn(NO3)2:6H2O = Zn+2 + 2NO3- + 6H2O - log_k 3.440 - delta_h 5.510 kcal - -ZnO(a) 281 - ZnO + 2H+ = Zn+2 + H2O - log_k 11.310 - -Zincite(c) 282 - ZnO + 2H+ = Zn+2 + H2O - log_k 11.140 - delta_h -21.860 kcal - -Zn3O(SO4)2 283 - ZnO:2ZnSO4 + 2H+ = 3Zn+2 + 2SO4-2 + H2O - log_k 19.020 - delta_h -62.0 kcal - -Zn3(PO4)2:4w 284 - Zn3(PO4)2:4H2O = 3Zn+2 + 2PO4-3 + 4H2O - log_k -32.040 - -ZnS(a) 285 - ZnS + H+ = Zn+2 + HS- - log_k -9.052 - delta_h 3.670 kcal - -Sphalerite 286 - ZnS + H+ = Zn+2 + HS- - log_k -11.618 +ZnCO3:H2O 269 + ZnCO3:H2O = Zn+2 + CO3-2 + H2O + log_k -10.26 + +ZnF2 270 + ZnF2 = Zn+2 + 2 F- + log_k -1.52 + delta_h -13.08 kcal + +Zn(OH)2-a 271 + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 12.45 + +Zn(OH)2-c 272 + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 12.2 + +Zn(OH)2-b 273 + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 11.75 + +Zn(OH)2-g 274 + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 11.71 + +Zn(OH)2-e 275 + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 11.5 + +Zn2(OH)3Cl 276 + Zn2(OH)3Cl + 3 H+ = 2 Zn+2 + 3 H2O + Cl- + log_k 15.2 + +Zn5(OH)8Cl2 277 + Zn5(OH)8Cl2 + 8 H+ = 5 Zn+2 + 8 H2O + 2 Cl- + log_k 38.5 + +Zn2(OH)2SO4 278 + Zn2(OH)2SO4 + 2 H+ = 2 Zn+2 + 2 H2O + SO4-2 + log_k 7.5 + +Zn4(OH)6SO4 279 + Zn4(OH)6SO4 + 6 H+ = 4 Zn+2 + 6 H2O + SO4-2 + log_k 28.4 + +Zn(NO3)2:6H2O 280 + Zn(NO3)2:6H2O = Zn+2 + 2 NO3- + 6 H2O + log_k 3.44 + delta_h 5.51 kcal + +ZnO(a) 281 + ZnO + 2 H+ = Zn+2 + H2O + log_k 11.31 + +Zincite(c) 282 + ZnO + 2 H+ = Zn+2 + H2O + log_k 11.14 + delta_h -21.86 kcal + +Zn3O(SO4)2 283 + ZnO:2ZnSO4 + 2 H+ = 3 Zn+2 + 2 SO4-2 + H2O + log_k 19.02 + delta_h -62 kcal + +Zn3(PO4)2:4w 284 + Zn3(PO4)2:4H2O = 3 Zn+2 + 2 PO4-3 + 4 H2O + log_k -32.04 + +ZnS(a) 285 + ZnS + H+ = Zn+2 + HS- + log_k -9.052 + delta_h 3.67 kcal + +Sphalerite 286 + ZnS + H+ = Zn+2 + HS- + log_k -11.618 delta_h 8.25 kcal -Wurtzite 287 - ZnS + H+ = Zn+2 + HS- - log_k -9.682 - delta_h 5.060 kcal +Wurtzite 287 + ZnS + H+ = Zn+2 + HS- + log_k -9.682 + delta_h 5.06 kcal -ZnSiO3 288 - ZnSiO3 + 2H+ + H2O = Zn+2 + H4SiO4 - log_k 2.930 - delta_h -18.270 kcal +ZnSiO3 288 + ZnSiO3 + 2 H+ + H2O = Zn+2 + H4SiO4 + log_k 2.93 + delta_h -18.27 kcal -Willemite 289 - Zn2SiO4 + 4H+ = 2Zn+2 + H4SiO4 - log_k 15.33 +Willemite 289 + Zn2SiO4 + 4 H+ = 2 Zn+2 + H4SiO4 + log_k 15.33 delta_h -33.37 kcal -Zincosite 290 - ZnSO4 = Zn+2 + SO4-2 - log_k 3.010 +Zincosite 290 + ZnSO4 = Zn+2 + SO4-2 + log_k 3.01 delta_h -19.2 kcal -ZnSO4:H2O 291 - ZnSO4:H2O = Zn+2 + SO4-2 + H2O - log_k -0.570 - delta_h -10.640 kcal +ZnSO4:H2O 291 + ZnSO4:H2O = Zn+2 + SO4-2 + H2O + log_k -0.57 + delta_h -10.64 kcal -Bianchite 292 - ZnSO4:6H2O = Zn+2 + SO4-2 + 6H2O - log_k -1.765 - delta_h -0.160 kcal +Bianchite 292 + ZnSO4:6H2O = Zn+2 + SO4-2 + 6 H2O + log_k -1.765 + delta_h -0.16 kcal -Goslarite 293 - ZnSO4:7H2O = Zn+2 + SO4-2 + 7H2O - log_k -1.960 +Goslarite 293 + ZnSO4:7H2O = Zn+2 + SO4-2 + 7 H2O + log_k -1.96 delta_h 3.3 kcal -CdMetal 312 - Cd = Cd+2 + 2e- - log_k 13.490 - delta_h -18.0 kcal +CdMetal 312 + Cd = Cd+2 + 2 e- + log_k 13.49 + delta_h -18 kcal -Cd(gamma) 313 - Cd = Cd+2 + 2e- - log_k 13.590 - delta_h -18.140 kcal +Cd(gamma) 313 + Cd = Cd+2 + 2 e- + log_k 13.59 + delta_h -18.14 kcal -Cd(BO2)2 314 - Cd(BO2)2 + 2H2O + 2H+ = Cd+2 + 2H3BO3 - log_k 9.840 +Cd(BO2)2 314 + Cd(BO2)2 + 2 H2O + 2 H+ = Cd+2 + 2 H3BO3 + log_k 9.84 -Otavite 315 - CdCO3 = Cd+2 + CO3-2 - log_k -12.1 +Otavite 315 + CdCO3 = Cd+2 + CO3-2 + log_k -12.1 delta_h -0.019 kcal -CdCl2 316 - CdCl2 = Cd+2 + 2Cl- - log_k -0.68 +CdCl2 316 + CdCl2 = Cd+2 + 2 Cl- + log_k -0.68 delta_h -4.47 kcal -CdCl2:H2O 317 - CdCl2:H2O = Cd+2 + 2Cl- + H2O - log_k -1.71 +CdCl2:H2O 317 + CdCl2:H2O = Cd+2 + 2 Cl- + H2O + log_k -1.71 delta_h -1.82 kcal -CdCl2:2.5H2O 318 - CdCl2:2.5H2O = Cd+2 + 2Cl- + 2.5H2O - log_k -1.940 - delta_h 1.710 kcal +CdCl2:2.5H2O 318 + CdCl2:2.5H2O = Cd+2 + 2 Cl- + 2.5 H2O + log_k -1.94 + delta_h 1.71 kcal -CdF2 319 - CdF2 = Cd+2 + 2F- - log_k -2.980 - delta_h -9.720 kcal +CdF2 319 + CdF2 = Cd+2 + 2 F- + log_k -2.98 + delta_h -9.72 kcal -Cd(OH)2(a) 320 - Cd(OH)2 + 2H+ = Cd+2 + 2H2O - log_k 13.730 - delta_h -20.770 kcal +Cd(OH)2(a) 320 + Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O + log_k 13.73 + delta_h -20.77 kcal -Cd(OH)2 321 - Cd(OH)2 + 2H+ = Cd+2 + 2H2O - log_k 13.65 +Cd(OH)2 321 + Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O + log_k 13.65 -CdOHCl 322 - CdOHCl + H+ = Cd+2 + H2O + Cl- - log_k 3.520 +CdOHCl 322 + CdOHCl + H+ = Cd+2 + H2O + Cl- + log_k 3.52 delta_h -7.407 kcal -Cd3(OH)4SO4 323 - Cd3(OH)4SO4 + 4H+ = 3Cd+2 + 4H2O + SO4-2 - log_k 22.560 +Cd3(OH)4SO4 323 + Cd3(OH)4SO4 + 4 H+ = 3 Cd+2 + 4 H2O + SO4-2 + log_k 22.56 -Cd3(OH)2(SO4)2 324 - Cd3(OH)2(SO4)2 + 2H+ = 3Cd+2 + 2H2O + 2SO4-2 - log_k 6.710 +Cd3(OH)2(SO4)2 324 + Cd3(OH)2(SO4)2 + 2 H+ = 3 Cd+2 + 2 H2O + 2 SO4-2 + log_k 6.71 -Cd4(OH)6SO4 325 - Cd4(OH)6SO4 + 6H+ = 4Cd+2 + 6H2O + SO4-2 - log_k 28.4 +Cd4(OH)6SO4 325 + Cd4(OH)6SO4 + 6 H+ = 4 Cd+2 + 6 H2O + SO4-2 + log_k 28.4 -Monteponite 326 - CdO + 2H+ = Cd+2 + H2O - log_k 13.770 - delta_h -24.760 kcal +Monteponite 326 + CdO + 2 H+ = Cd+2 + H2O + log_k 13.77 + delta_h -24.76 kcal -Cd3(PO4)2 327 - Cd3(PO4)2 = 3Cd+2 + 2PO4-3 - log_k -32.6 +Cd3(PO4)2 327 + Cd3(PO4)2 = 3 Cd+2 + 2 PO4-3 + log_k -32.6 -CdSiO3 328 - CdSiO3 + H2O + 2H+ = Cd+2 + H4SiO4 - log_k 9.06 +CdSiO3 328 + CdSiO3 + H2O + 2 H+ = Cd+2 + H4SiO4 + log_k 9.06 delta_h -16.63 kcal -CdSO4 329 - CdSO4 = Cd+2 + SO4-2 - log_k -0.1 +CdSO4 329 + CdSO4 = Cd+2 + SO4-2 + log_k -0.1 delta_h -14.74 kcal -CdSO4:H2O 330 - CdSO4:H2O = Cd+2 + SO4-2 + H2O - log_k -1.657 - delta_h -7.520 kcal +CdSO4:H2O 330 + CdSO4:H2O = Cd+2 + SO4-2 + H2O + log_k -1.657 + delta_h -7.52 kcal -CdSO4:2.7H2O 331 - CdSO4:2.67H2O = Cd+2 + SO4-2 + 2.67H2O - log_k -1.873 +CdSO4:2.7H2O 331 + CdSO4:2.67H2O = Cd+2 + SO4-2 + 2.67 H2O + log_k -1.873 delta_h -4.3 kcal -Greenockite 332 - CdS + H+ = Cd+2 + HS- - log_k -15.930 - delta_h 16.360 kcal +Greenockite 332 + CdS + H+ = Cd+2 + HS- + log_k -15.93 + delta_h 16.36 kcal -JarositeH 337 - (H3O)Fe3(SO4)2(OH)6 + 5H+ = 3Fe+3 + 2SO4-2 + 7H2O - log_k -5.390 - delta_h -55.150 kcal +JarositeH 337 + (H3O)Fe3(SO4)2(OH)6 + 5 H+ = 3 Fe+3 + 2 SO4-2 + 7 H2O + log_k -5.39 + delta_h -55.15 kcal -AlumK 338 - KAl(SO4)2:12H2O = K+ + Al+3 + 2SO4-2 + 12H2O - log_k -5.170 - delta_h 7.220 kcal +AlumK 338 + KAl(SO4)2:12H2O = K+ + Al+3 + 2 SO4-2 + 12 H2O + log_k -5.17 + delta_h 7.22 kcal -Melanterite 339 - FeSO4:7H2O = Fe+2 + SO4-2 + 7H2O - log_k -2.209 +Melanterite 339 + FeSO4:7H2O = Fe+2 + SO4-2 + 7 H2O + log_k -2.209 delta_h 4.91 kcal - -analytical 1.447 -0.004153 0.0 0.0 -214949.0 + -analytical 1.447 -0.004153 0 0 -214949 -Epsomite 340 - MgSO4:7H2O = Mg+2 + SO4-2 + 7H2O - log_k -2.140 - delta_h 2.820 kcal +Epsomite 340 + MgSO4:7H2O = Mg+2 + SO4-2 + 7 H2O + log_k -2.14 + delta_h 2.82 kcal -PbMetal 360 - Pb = Pb+2 + 2e- - log_k 4.270 +PbMetal 360 + Pb = Pb+2 + 2 e- + log_k 4.27 delta_h 0.4 kcal -Pb(BO2)2 361 - Pb(BO2)2 + 2H2O + 2H+ = Pb+2 + 2H3BO3 - log_k 7.610 +Pb(BO2)2 361 + Pb(BO2)2 + 2 H2O + 2 H+ = Pb+2 + 2 H3BO3 + log_k 7.61 delta_h -5.8 kcal -Cotunnite 362 - PbCl2 = Pb+2 + 2Cl- - log_k -4.770 +Cotunnite 362 + PbCl2 = Pb+2 + 2 Cl- + log_k -4.77 delta_h 5.6 kcal -Matlockite 363 - PbClF = Pb+2 + Cl- + F- - log_k -9.430 - delta_h 7.950 kcal +Matlockite 363 + PbClF = Pb+2 + Cl- + F- + log_k -9.43 + delta_h 7.95 kcal -Phosgenite 364 - PbCl2:PbCO3 = 2Pb+2 + 2Cl- + CO3-2 - log_k -19.810 +Phosgenite 364 + PbCl2:PbCO3 = 2 Pb+2 + 2 Cl- + CO3-2 + log_k -19.81 -Cerussite 365 - PbCO3 = Pb+2 + CO3-2 - log_k -13.13 +Cerussite 365 + PbCO3 = Pb+2 + CO3-2 + log_k -13.13 delta_h 4.86 kcal -PbF2 366 - PbF2 = Pb+2 + 2F- - log_k -7.440 +PbF2 366 + PbF2 = Pb+2 + 2 F- + log_k -7.44 delta_h -0.7 kcal -Massicot 367 - PbO + 2H+ = Pb+2 + H2O - log_k 12.910 - delta_h -16.780 kcal - -Litharge 368 - PbO + 2H+ = Pb+2 + H2O - log_k 12.720 - delta_h -16.380 kcal - -PbO:0.3H2O 369 - PbO:0.33H2O + 2H+ = Pb+2 + 1.33H2O - log_k 12.980 - -Pb2OCO3 370 - PbO:PbCO3 + 2H+ = 2Pb+2 + CO3-2 + H2O - log_k -0.5 - delta_h -11.460 kcal - -Larnakite 371 - PbO:PbSO4 + 2H+ = 2Pb+2 + SO4-2 + H2O - log_k -0.280 - delta_h -6.440 kcal - -Pb3O2SO4 372 - PbSO4:2PbO + 4H+ = 3Pb+2 + SO4-2 + 2H2O - log_k 10.4 - delta_h -20.750 kcal - -Pb4O3SO4 373 - PbSO4:3PbO + 6H+ = 4Pb+2 + SO4-2 + 3H2O - log_k 22.1 - delta_h -35.070 kcal - -PbHPO4 374 - PbHPO4 = Pb+2 + HPO4-2 - log_k -11.460 - delta_h 7.040 kcal - -Pb3(PO4)2 375 - Pb3(PO4)2 + 2H+ = 3Pb+2 + 2HPO4-2 - log_k -19.670 - delta_h -1.670 kcal - -Clpyromorphite 376 - Pb5(PO4)3Cl = 5Pb+2 + 3PO4-3 + Cl- - log_k -84.430 - -Hxypyromorphite 377 - Pb5(PO4)3OH + H+ = 5Pb+2 + 3PO4-3 + H2O - log_k -62.790 - -Pb3O2CO3 378 - PbCO3:2PbO + 4H+ = 3Pb+2 + CO3-2 + 2H2O - log_k 11.020 - delta_h -26.430 kcal - -Plumbogummite 379 - PbAl3(PO4)2(OH)5:H2O + 5H+ = Pb+2 + 3Al+3 + 2PO4-3 + 6H2O - log_k -32.790 - -Hinsdalite 380 - PbAl3PO4SO4(OH)6 + 6H+ = Pb+2 + 3Al+3 + PO4-3 + SO4-2 + 6H2O - log_k -2.5 - -Tsumebite 381 - Pb2CuPO4(OH)3:3H2O + 3H+ = 2Pb+2 + Cu+2 + PO4-3 + 6H2O - log_k -9.790 - -PbSiO3 382 - PbSiO3 + H2O + 2H+ = Pb+2 + H4SiO4 - log_k 7.320 - delta_h -9.260 kcal - -Pb2SiO4 383 - Pb2SiO4 + 4H+ = 2Pb+2 + H4SiO4 - log_k 19.760 - delta_h -26.0 kcal - -Anglesite 384 - PbSO4 = Pb+2 + SO4-2 - log_k -7.79 +Massicot 367 + PbO + 2 H+ = Pb+2 + H2O + log_k 12.91 + delta_h -16.78 kcal + +Litharge 368 + PbO + 2 H+ = Pb+2 + H2O + log_k 12.72 + delta_h -16.38 kcal + +PbO:0.3H2O 369 + PbO:0.33H2O + 2 H+ = Pb+2 + 1.33 H2O + log_k 12.98 + +Pb2OCO3 370 + PbO:PbCO3 + 2 H+ = 2 Pb+2 + CO3-2 + H2O + log_k -0.5 + delta_h -11.46 kcal + +Larnakite 371 + PbO:PbSO4 + 2 H+ = 2 Pb+2 + SO4-2 + H2O + log_k -0.28 + delta_h -6.44 kcal + +Pb3O2SO4 372 + PbSO4:2PbO + 4 H+ = 3 Pb+2 + SO4-2 + 2 H2O + log_k 10.4 + delta_h -20.75 kcal + +Pb4O3SO4 373 + PbSO4:3PbO + 6 H+ = 4 Pb+2 + SO4-2 + 3 H2O + log_k 22.1 + delta_h -35.07 kcal + +PbHPO4 374 + PbHPO4 = Pb+2 + HPO4-2 + log_k -11.46 + delta_h 7.04 kcal + +Pb3(PO4)2 375 + Pb3(PO4)2 + 2 H+ = 3 Pb+2 + 2 HPO4-2 + log_k -19.67 + delta_h -1.67 kcal + +Clpyromorphite 376 + Pb5(PO4)3Cl = 5 Pb+2 + 3 PO4-3 + Cl- + log_k -84.43 + +Hxypyromorphite 377 + Pb5(PO4)3OH + H+ = 5 Pb+2 + 3 PO4-3 + H2O + log_k -62.79 + +Pb3O2CO3 378 + PbCO3:2PbO + 4 H+ = 3 Pb+2 + CO3-2 + 2 H2O + log_k 11.02 + delta_h -26.43 kcal + +Plumbogummite 379 + PbAl3(PO4)2(OH)5:H2O + 5 H+ = Pb+2 + 3 Al+3 + 2 PO4-3 + 6 H2O + log_k -32.79 + +Hinsdalite 380 + PbAl3PO4SO4(OH)6 + 6 H+ = Pb+2 + 3 Al+3 + PO4-3 + SO4-2 + 6 H2O + log_k -2.5 + +Tsumebite 381 + Pb2CuPO4(OH)3:3H2O + 3 H+ = 2 Pb+2 + Cu+2 + PO4-3 + 6 H2O + log_k -9.79 + +PbSiO3 382 + PbSiO3 + H2O + 2 H+ = Pb+2 + H4SiO4 + log_k 7.32 + delta_h -9.26 kcal + +Pb2SiO4 383 + Pb2SiO4 + 4 H+ = 2 Pb+2 + H4SiO4 + log_k 19.76 + delta_h -26 kcal + +Anglesite 384 + PbSO4 = Pb+2 + SO4-2 + log_k -7.79 delta_h 2.15 kcal -Galena 385 - PbS + H+ = Pb+2 + HS- - log_k -12.780 +Galena 385 + PbS + H+ = Pb+2 + HS- + log_k -12.78 delta_h 19.4 kcal -Plattnerite 386 - PbO2 + 4H+ + 2e- = Pb+2 + 2H2O - log_k 49.3 - delta_h -70.730 kcal +Plattnerite 386 + PbO2 + 4 H+ + 2 e- = Pb+2 + 2 H2O + log_k 49.3 + delta_h -70.73 kcal -Pb2O3 387 - Pb2O3 + 6H+ + 2e- = 2Pb+2 + 3H2O - log_k 61.040 +Pb2O3 387 + Pb2O3 + 6 H+ + 2 e- = 2 Pb+2 + 3 H2O + log_k 61.04 -Minium 388 - Pb3O4 + 8H+ + 2e- = 3Pb+2 + 4H2O - log_k 73.690 - delta_h -102.760 kcal +Minium 388 + Pb3O4 + 8 H+ + 2 e- = 3 Pb+2 + 4 H2O + log_k 73.69 + delta_h -102.76 kcal -Pb(OH)2 389 - Pb(OH)2 + 2H+ = Pb+2 + 2H2O - log_k 8.15 +Pb(OH)2 389 + Pb(OH)2 + 2 H+ = Pb+2 + 2 H2O + log_k 8.15 delta_h -13.99 kcal -Laurionite 390 - PbOHCl + H+ = Pb+2 + Cl- + H2O - log_k 0.623 +Laurionite 390 + PbOHCl + H+ = Pb+2 + Cl- + H2O + log_k 0.623 -Pb2(OH)3Cl 391 - Pb2(OH)3Cl + 3H+ = 2Pb+2 + 3H2O + Cl- - log_k 8.793 +Pb2(OH)3Cl 391 + Pb2(OH)3Cl + 3 H+ = 2 Pb+2 + 3 H2O + Cl- + log_k 8.793 -Hydrocerussite 392 - Pb(OH)2:2PbCO3 + 2H+ = 3Pb+2 + 2CO3-2 + 2H2O - log_k -17.460 +Hydrocerussite 392 + Pb(OH)2:2PbCO3 + 2 H+ = 3 Pb+2 + 2 CO3-2 + 2 H2O + log_k -17.46 -Pb2O(OH)2 393 - PbO:Pb(OH)2 + 4H+ = 2Pb+2 + 3H2O - log_k 26.2 +Pb2O(OH)2 393 + PbO:Pb(OH)2 + 4 H+ = 2 Pb+2 + 3 H2O + log_k 26.2 -Pb4(OH)6SO4 394 - Pb4(OH)6SO4 + 6H+ = 4Pb+2 + SO4-2 + 6H2O - log_k 21.1 +Pb4(OH)6SO4 394 + Pb4(OH)6SO4 + 6 H+ = 4 Pb+2 + SO4-2 + 6 H2O + log_k 21.1 -SiO2(a) 395 - SiO2 + 2H2O = H4SiO4 - log_k -2.71 +SiO2(a) 395 + SiO2 + 2 H2O = H4SiO4 + log_k -2.71 delta_h 3.34 kcal - -analytical -0.26 0.0 -731.0 0.0 0.0 - -FCO3Apatite 396 - Ca9.316Na0.36Mg0.144(PO4)4.8(CO3)1.2F2.48 = 9.316Ca+2 + 0.36Na+ + 0.144Mg+2 + 4.8PO4-3 + 1.2CO3-2 + 2.48F- - log_k -114.4 - delta_h 39.390 kcal - -BaF2 398 - BaF2 = Ba+2 + 2F- - log_k -5.760 - delta_h 1.0 kcal - -SrF2 399 - SrF2 = Sr+2 + 2F- - log_k -8.540 - delta_h 1.250 kcal - -Dolomite 401 - CaMg(CO3)2 = Ca+2 + Mg+2 + 2CO3-2 - log_k -17.09 + -analytical -0.26 0 -731 0 0 + +FCO3Apatite 396 + Ca9.316Na0.36Mg0.144(PO4)4.8(CO3)1.2F2.48 = 9.316 Ca+2 + 0.36 Na+ + 0.144 Mg+2 + 4.8 PO4-3 + 1.2 CO3-2 + 2.48 F- + log_k -114.4 + delta_h 39.39 kcal + +BaF2 398 + BaF2 = Ba+2 + 2 F- + log_k -5.76 + delta_h 1 kcal + +SrF2 399 + SrF2 = Sr+2 + 2 F- + log_k -8.54 + delta_h 1.25 kcal + +Dolomite 401 + CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2 + log_k -17.09 delta_h -9.436 kcal -Sulfur 402 - S + 2e- = S-2 - log_k -15.026 +Sulfur 402 + S + 2 e- = S-2 + log_k -15.026 delta_h 7.9 kcal -NiCO3 410 - NiCO3 = Ni+2 + CO3-2 - log_k -6.840 - delta_h -9.940 kcal +NiCO3 410 + NiCO3 = Ni+2 + CO3-2 + log_k -6.84 + delta_h -9.94 kcal -Ni(OH)2 411 - Ni(OH)2 + 2H+ = Ni+2 + 2H2O - log_k 10.8 - delta_h 30.450 kcal +Ni(OH)2 411 + Ni(OH)2 + 2 H+ = Ni+2 + 2 H2O + log_k 10.8 + delta_h 30.45 kcal -Ni4(OH)6SO4 412 - Ni4(OH)6SO4 + 6H+ = 4Ni+2 + SO4-2 + 6H2O - log_k 32.0 +Ni4(OH)6SO4 412 + Ni4(OH)6SO4 + 6 H+ = 4 Ni+2 + SO4-2 + 6 H2O + log_k 32 -Bunsenite 413 - NiO + 2H+ = Ni+2 + H2O - log_k 12.450 - delta_h -23.920 kcal +Bunsenite 413 + NiO + 2 H+ = Ni+2 + H2O + log_k 12.45 + delta_h -23.92 kcal -Ni3(PO4)2 414 - Ni3(PO4)2 = 3Ni+2 + 2PO4-3 - log_k -31.3 +Ni3(PO4)2 414 + Ni3(PO4)2 = 3 Ni+2 + 2 PO4-3 + log_k -31.3 -Millerite 415 - NiS + H+ = Ni+2 + HS- - log_k -8.042 +Millerite 415 + NiS + H+ = Ni+2 + HS- + log_k -8.042 delta_h 2.5 kcal -Retgersite 416 - NiSO4:6H2O = Ni+2 + SO4-2 + 6H2O - log_k -2.040 +Retgersite 416 + NiSO4:6H2O = Ni+2 + SO4-2 + 6 H2O + log_k -2.04 delta_h 1.1 kcal -Morenosite 417 - NiSO4:7H2O = Ni+2 + SO4-2 + 7H2O - log_k -2.360 - delta_h 2.940 kcal +Morenosite 417 + NiSO4:7H2O = Ni+2 + SO4-2 + 7 H2O + log_k -2.36 + delta_h 2.94 kcal -Ni2SiO4 418 - Ni2SiO4 + 4H+ = 2Ni+2 + H4SiO4 - log_k 14.540 - delta_h -33.360 kcal +Ni2SiO4 418 + Ni2SiO4 + 4 H+ = 2 Ni+2 + H4SiO4 + log_k 14.54 + delta_h -33.36 kcal -Fe3(OH)8 419 - Fe3(OH)8 + 8H+ = 2Fe+3 + Fe+2 + 8H2O - log_k 20.222 +Fe3(OH)8 419 + Fe3(OH)8 + 8 H+ = 2 Fe+3 + Fe+2 + 8 H2O + log_k 20.222 -Dioptase 420 - CuSiO3:H2O + 2H+ = Cu+2 + H4SiO4 - log_k 6.5 - delta_h -8.960 kcal +Dioptase 420 + CuSiO3:H2O + 2 H+ = Cu+2 + H4SiO4 + log_k 6.5 + delta_h -8.96 kcal -AgMetal 437 - Ag = Ag+ + e- - log_k -13.510 +AgMetal 437 + Ag = Ag+ + e- + log_k -13.51 delta_h 25.234 kcal -Bromyrite 438 - AgBr = Ag+ + Br- - log_k -12.270 - delta_h 20.170 kcal +Bromyrite 438 + AgBr = Ag+ + Br- + log_k -12.27 + delta_h 20.17 kcal -Cerargyrite 439 - AgCl = Ag+ + Cl- - log_k -9.750 +Cerargyrite 439 + AgCl = Ag+ + Cl- + log_k -9.75 delta_h 15.652 kcal -Ag2CO3 440 - Ag2CO3 = 2Ag+ + CO3-2 - log_k -11.070 - delta_h 9.530 kcal - -AgF:4H2O 441 - AgF:4H2O = Ag+ + F- + 4H2O - log_k 0.550 - delta_h 4.270 kcal - -Iodyrite 442 - AgI = Ag+ + I- - log_k -16.070 - delta_h 26.820 kcal - -Ag2O 443 - Ag2O + 2H+ = 2Ag+ + H2O - log_k 12.580 - delta_h -10.430 kcal - -Ag3PO4 444 - Ag3PO4 = 3Ag+ + PO4-3 - log_k -17.550 - -Acanthite 445 - Ag2S + H+ = 2Ag+ + HS- - log_k -36.050 +Ag2CO3 440 + Ag2CO3 = 2 Ag+ + CO3-2 + log_k -11.07 + delta_h 9.53 kcal + +AgF:4H2O 441 + AgF:4H2O = Ag+ + F- + 4 H2O + log_k 0.55 + delta_h 4.27 kcal + +Iodyrite 442 + AgI = Ag+ + I- + log_k -16.07 + delta_h 26.82 kcal + +Ag2O 443 + Ag2O + 2 H+ = 2 Ag+ + H2O + log_k 12.58 + delta_h -10.43 kcal + +Ag3PO4 444 + Ag3PO4 = 3 Ag+ + PO4-3 + log_k -17.55 + +Acanthite 445 + Ag2S + H+ = 2 Ag+ + HS- + log_k -36.05 delta_h 53.3 kcal -Ag2SO4 446 - Ag2SO4 = 2Ag+ + SO4-2 - log_k -4.920 - delta_h 4.250 kcal - -CuBr 459 - CuBr = Cu+ + Br- - log_k -8.210 - delta_h 13.080 kcal - -CuI 460 - CuI = Cu+ + I- - log_k -11.890 - delta_h 20.140 kcal - -ZnBr2:2H2O 461 - ZnBr2:2H2O = Zn+2 + 2Br- + 2H2O - log_k 5.210 - delta_h -7.510 kcal - -ZnI2 462 - ZnI2 = Zn+2 + 2I- - log_k 7.230 - delta_h -13.440 kcal - -CdBr2:4H2O 463 - CdBr2:4H2O = Cd+2 + 2Br- + 4H2O - log_k -2.420 - delta_h 7.230 kcal - -CdI2 464 - CdI2 = Cd+2 + 2I- - log_k -3.610 - delta_h 4.080 kcal - -PbBr2 465 - PbBr2 = Pb+2 + 2Br- - log_k -5.180 +Ag2SO4 446 + Ag2SO4 = 2 Ag+ + SO4-2 + log_k -4.92 + delta_h 4.25 kcal + +CuBr 459 + CuBr = Cu+ + Br- + log_k -8.21 + delta_h 13.08 kcal + +CuI 460 + CuI = Cu+ + I- + log_k -11.89 + delta_h 20.14 kcal + +ZnBr2:2H2O 461 + ZnBr2:2H2O = Zn+2 + 2 Br- + 2 H2O + log_k 5.21 + delta_h -7.51 kcal + +ZnI2 462 + ZnI2 = Zn+2 + 2 I- + log_k 7.23 + delta_h -13.44 kcal + +CdBr2:4H2O 463 + CdBr2:4H2O = Cd+2 + 2 Br- + 4 H2O + log_k -2.42 + delta_h 7.23 kcal + +CdI2 464 + CdI2 = Cd+2 + 2 I- + log_k -3.61 + delta_h 4.08 kcal + +PbBr2 465 + PbBr2 = Pb+2 + 2 Br- + log_k -5.18 delta_h 8.1 kcal -PbBrF 466 - PbBrF = Pb+2 + Br- + F- - log_k -8.490 +PbBrF 466 + PbBrF = Pb+2 + Br- + F- + log_k -8.49 -PbI2 467 - PbI2 = Pb+2 + 2I- - log_k -8.070 - delta_h 15.160 kcal +PbI2 467 + PbI2 = Pb+2 + 2 I- + log_k -8.07 + delta_h 15.16 kcal -Jurbanite 471 - AlOHSO4 + H+ = Al+3 + SO4-2 + H2O - log_k -3.230 +Jurbanite 471 + AlOHSO4 + H+ = Al+3 + SO4-2 + H2O + log_k -3.23 -Basaluminite 472 - Al4(OH)10SO4 + 10H+ = 4Al+3 + SO4-2 + 10H2O - log_k 22.7 +Basaluminite 472 + Al4(OH)10SO4 + 10 H+ = 4 Al+3 + SO4-2 + 10 H2O + log_k 22.7 -As_native 557 - As + 3H2O = H3AsO3 + 3H+ + 3e- - log_k -12.532 - delta_h 115.131 kJ +As_native 557 + As + 3 H2O = H3AsO3 + 3 H+ + 3 e- + log_k -12.532 + delta_h 115.131 kJ -As2O5(cr) 488 - As2O5 + 3H2O = 2H3AsO4 - log_k 8.228 - delta_h -31.619 kJ +As2O5(cr) 488 + As2O5 + 3 H2O = 2 H3AsO4 + log_k 8.228 + delta_h -31.619 kJ -AlAsO4:2H2O 489 - AlAsO4:2H2O = Al+3 + AsO4-3 + 2H2O - log_k -15.837 +AlAsO4:2H2O 489 + AlAsO4:2H2O = Al+3 + AsO4-3 + 2 H2O + log_k -15.837 -Ca3(AsO4)2:4w 490 - Ca3(AsO4)2:4H2O = 3Ca+2 + 2AsO4-3 + 4H2O - log_k -18.905 +Ca3(AsO4)2:4w 490 + Ca3(AsO4)2:4H2O = 3 Ca+2 + 2 AsO4-3 + 4 H2O + log_k -18.905 -Cu3(AsO4)2:6w 491 - Cu3(AsO4)2:6H2O = 3Cu+2 + 2AsO4-3 + 6H2O - log_k -35.123 +Cu3(AsO4)2:6w 491 + Cu3(AsO4)2:6H2O = 3 Cu+2 + 2 AsO4-3 + 6 H2O + log_k -35.123 -Scorodite 492 - FeAsO4:2H2O = Fe+3 + AsO4-3 + 2H2O - log_k -20.249 +Scorodite 492 + FeAsO4:2H2O = Fe+3 + AsO4-3 + 2 H2O + log_k -20.249 -Mn3(AsO4)2:8H2O 493 - Mn3(AsO4)2:8H2O = 3Mn+2 + 2AsO4-3 + 8H2O - log_k -28.707 +Mn3(AsO4)2:8H2O 493 + Mn3(AsO4)2:8H2O = 3 Mn+2 + 2 AsO4-3 + 8 H2O + log_k -28.707 -Ni3(AsO4)2:8H2O 494 - Ni3(AsO4)2:8H2O = 3Ni+2 + 2AsO4-3 + 8H2O - log_k -25.511 +Ni3(AsO4)2:8H2O 494 + Ni3(AsO4)2:8H2O = 3 Ni+2 + 2 AsO4-3 + 8 H2O + log_k -25.511 -Pb3(AsO4)2 495 - Pb3(AsO4)2 = 3Pb+2 + 2AsO4-3 - log_k -35.403 +Pb3(AsO4)2 495 + Pb3(AsO4)2 = 3 Pb+2 + 2 AsO4-3 + log_k -35.403 -Zn3(AsO4)2:2.5w 496 - Zn3(AsO4)2:2.5H2O = 3Zn+2 + 2AsO4-3 + 2.5H2O - log_k -27.546 +Zn3(AsO4)2:2.5w 496 + Zn3(AsO4)2:2.5H2O = 3 Zn+2 + 2 AsO4-3 + 2.5 H2O + log_k -27.546 -Arsenolite 497 -# As4O6 + 6H2O = 4H3AsO3 +Arsenolite 497 +# As4O6 + 6H2O = 4H3AsO3 # log_k -2.801 # delta_h 14.330 kcal - As2O3 + 3H2O = 2H3AsO3 - log_k -1.38 - delta_h 30.041 kJ + As2O3 + 3 H2O = 2 H3AsO3 + log_k -1.38 + delta_h 30.041 kJ -Claudetite 498 -# As4O6 + 6H2O = 4H3AsO3 +Claudetite 498 +# As4O6 + 6H2O = 4H3AsO3 # log_k -3.065 # delta_h 13.290 kcal - As2O3 + 3H2O = 2H3AsO3 - log_k -1.34 - delta_h 28.443 kJ + As2O3 + 3 H2O = 2 H3AsO3 + log_k -1.34 + delta_h 28.443 kJ -AsI3 499 - AsI3 + 3H2O = H3AsO3 + 3I- + 3H+ - log_k 4.155 +AsI3 499 + AsI3 + 3 H2O = H3AsO3 + 3 I- + 3 H+ + log_k 4.155 delta_h 1.875 kcal -Orpiment 500 - As2S3 + 6H2O = 2H3AsO3 + 3HS- + 3H+ +Orpiment 500 + As2S3 + 6 H2O = 2 H3AsO3 + 3 HS- + 3 H+ # log_k -60.971 # delta_h 82.890 kcal - log_k -46.3 - delta_h 263.1 kJ + log_k -46.3 + delta_h 263.1 kJ -As2S3(am) 132 - As2S3 + 6H2O = 2H3AsO3 + 3HS- + 3H+ - log_k -44.9 - delta_h 244.2 kJ +As2S3(am) 132 + As2S3 + 6 H2O = 2 H3AsO3 + 3 HS- + 3 H+ + log_k -44.9 + delta_h 244.2 kJ -Realgar 501 - AsS + 3H2O = H3AsO3 + HS- + 2H+ + e- +Realgar 501 + AsS + 3 H2O = H3AsO3 + HS- + 2 H+ + e- # log_k -19.747 # delta_h 30.545 kcal - log_k -19.944 - delta_h 129.2625 kJ + log_k -19.944 + delta_h 129.2625 kJ -BlaubleiI 533 - Cu0.9Cu0.2S + H+ = 0.9Cu+2 + 0.2Cu+ + HS- - log_k -24.162 +BlaubleiI 533 + Cu0.9Cu0.2S + H+ = 0.9 Cu+2 + 0.2 Cu+ + HS- + log_k -24.162 -BlaubleiII 534 - Cu0.6Cu0.8S + H+ = 0.6Cu+2 + 0.8Cu+ + HS- - log_k -27.279 +BlaubleiII 534 + Cu0.6Cu0.8S + H+ = 0.6 Cu+2 + 0.8 Cu+ + HS- + log_k -27.279 -Anilite 535 - Cu0.25Cu1.5S + H+ = 0.25Cu+2 + 1.5Cu+ + HS- - log_k -31.878 +Anilite 535 + Cu0.25Cu1.5S + H+ = 0.25 Cu+2 + 1.5 Cu+ + HS- + log_k -31.878 delta_h 43.535 kcal -Djurleite 536 - Cu0.066Cu1.868S + H+ = 0.066Cu+2 + 1.868Cu+ + HS- - log_k -33.920 +Djurleite 536 + Cu0.066Cu1.868S + H+ = 0.066 Cu+2 + 1.868 Cu+ + HS- + log_k -33.92 delta_h 47.881 kcal -Portlandite 539 - Ca(OH)2 + 2H+ = Ca+2 + 2H2O - log_k 22.8 - delta_h -31.0 kcal +Portlandite 539 + Ca(OH)2 + 2 H+ = Ca+2 + 2 H2O + log_k 22.8 + delta_h -31 kcal -Ba3(AsO4)2 541 - Ba3(AsO4)2 = 3Ba+2 + 2AsO4-3 - log_k -50.110 +Ba3(AsO4)2 541 + Ba3(AsO4)2 = 3 Ba+2 + 2 AsO4-3 + log_k -50.11 delta_h 9.5 kcal -Se(s) 550 - Se + H+ + 2e- = HSe- - log_k -17.322 +Se(s) 550 + Se + H+ + 2 e- = HSe- + log_k -17.322 #SemetalSe4 551 -# Se + 3H2O = SeO3-2 + 6H+ + 4e- +# Se + 3H2O = SeO3-2 + 6H+ + 4e- # log_k -59.836 -FeSe2 552 - FeSe2 + 2H+ + 2e- = Fe+2 + 2HSe- - log_k -18.580 +FeSe2 552 + FeSe2 + 2 H+ + 2 e- = Fe+2 + 2 HSe- + log_k -18.58 -SeO2 553 - SeO2 + H2O = SeO3-2 + 2H+ - log_k -8.380 +SeO2 553 + SeO2 + H2O = SeO3-2 + 2 H+ + log_k -8.38 -CaSeO3 554 - CaSeO3 = Ca+2 + SeO3-2 - log_k -5.6 +CaSeO3 554 + CaSeO3 = Ca+2 + SeO3-2 + log_k -5.6 -BaSeO3 555 - BaSeO3 = Ba+2 + SeO3-2 - log_k -6.390 +BaSeO3 555 + BaSeO3 = Ba+2 + SeO3-2 + log_k -6.39 -Fe2(SeO3)3 556 - Fe2(SeO3)3 = 2Fe+3 + 3SeO3-2 - log_k -35.430 +Fe2(SeO3)3 556 + Fe2(SeO3)3 = 2 Fe+3 + 3 SeO3-2 + log_k -35.43 -Rhodochrosite 564 - MnCO3 = Mn+2 + CO3-2 - log_k -11.13 +Rhodochrosite 564 + MnCO3 = Mn+2 + CO3-2 + log_k -11.13 delta_h -1.43 kcal -Na4UO2(CO3)3 571 - Na4UO2(CO3)3 = 4Na+ + UO2+2 + 3CO3-2 - log_k -16.290 +Na4UO2(CO3)3 571 + Na4UO2(CO3)3 = 4 Na+ + UO2+2 + 3 CO3-2 + log_k -16.29 -Uraninite(c) 573 - UO2 + 4H+ = U+4 + 2H2O - log_k -4.8 - delta_h -18.610 kcal +Uraninite(c) 573 + UO2 + 4 H+ = U+4 + 2 H2O + log_k -4.8 + delta_h -18.61 kcal -UO2(a) 574 - UO2 + 4H+ = U+4 + 2H2O - log_k 0.1 +UO2(a) 574 + UO2 + 4 H+ = U+4 + 2 H2O + log_k 0.1 -U4O9(c) 575 - U4O9 + 18H+ + 2e- = 4U+4 + 9H2O - log_k -3.384 +U4O9(c) 575 + U4O9 + 18 H+ + 2 e- = 4 U+4 + 9 H2O + log_k -3.384 delta_h -101.235 kcal -U3O8(c) 576 - U3O8 + 16H+ + 4e- = 3U+4 + 8H2O - log_k 20.530 - delta_h -116.0 kcal +U3O8(c) 576 + U3O8 + 16 H+ + 4 e- = 3 U+4 + 8 H2O + log_k 20.53 + delta_h -116 kcal -Coffinite 577 - USiO4 + 4H+ = U+4 + H4SiO4 - log_k -7.670 +Coffinite 577 + USiO4 + 4 H+ = U+4 + H4SiO4 + log_k -7.67 delta_h -11.6 kcal -UF4(c) 584 - UF4 = U+4 + 4F- - log_k -18.606 +UF4(c) 584 + UF4 = U+4 + 4 F- + log_k -18.606 delta_h -18.9 kcal -UF4:2.5H2O 585 - UF4:2.5H2O = U+4 + 4F- + 2.5H2O - log_k -27.570 +UF4:2.5H2O 585 + UF4:2.5H2O = U+4 + 4 F- + 2.5 H2O + log_k -27.57 delta_h -0.588 kcal -U(OH)2SO4 591 - U(OH)2SO4 + 2H+ = U+4 + SO4-2 + 2H2O - log_k -3.2 +U(OH)2SO4 591 + U(OH)2SO4 + 2 H+ = U+4 + SO4-2 + 2 H2O + log_k -3.2 -UO2HPO4:4H2O 592 - UO2HPO4:4H2O = UO2+2 + HPO4-2 + 4H2O - log_k -11.850 +UO2HPO4:4H2O 592 + UO2HPO4:4H2O = UO2+2 + HPO4-2 + 4 H2O + log_k -11.85 -U(HPO4)2:4H2O 593 - U(HPO4)2:4H2O = U+4 + 2PO4-3 + 2H+ + 4H2O - log_k -55.3 - delta_h 3.840 kcal +U(HPO4)2:4H2O 593 + U(HPO4)2:4H2O = U+4 + 2 PO4-3 + 2 H+ + 4 H2O + log_k -55.3 + delta_h 3.84 kcal -Ningyoite 594 - CaU(PO4)2:2H2O = U+4 + Ca+2 + 2PO4-3 + 2H2O - log_k -53.906 - delta_h -2.270 kcal +Ningyoite 594 + CaU(PO4)2:2H2O = U+4 + Ca+2 + 2 PO4-3 + 2 H2O + log_k -53.906 + delta_h -2.27 kcal -UO3(gamma) 599 - UO3 + 2H+ = UO2+2 + H2O - log_k 7.719 +UO3(gamma) 599 + UO3 + 2 H+ = UO2+2 + H2O + log_k 7.719 delta_h -19.315 kcal -Gummite 600 - UO3 + 2H+ = UO2+2 + H2O - log_k 10.403 +Gummite 600 + UO3 + 2 H+ = UO2+2 + H2O + log_k 10.403 delta_h -23.015 kcal -B-UO2(OH)2 601 - UO2(OH)2 + 2H+ = UO2+2 + 2H2O - log_k 5.544 - delta_h -13.730 kcal +B-UO2(OH)2 601 + UO2(OH)2 + 2 H+ = UO2+2 + 2 H2O + log_k 5.544 + delta_h -13.73 kcal -Schoepite 602 - UO2(OH)2:H2O + 2H+ = UO2+2 + 3H2O - log_k 5.404 +Schoepite 602 + UO2(OH)2:H2O + 2 H+ = UO2+2 + 3 H2O + log_k 5.404 delta_h -12.045 kcal -Rutherfordine 606 - UO2CO3 = UO2+2 + CO3-2 - log_k -14.450 - delta_h -1.440 kcal +Rutherfordine 606 + UO2CO3 = UO2+2 + CO3-2 + log_k -14.45 + delta_h -1.44 kcal -(UO2)3(PO4)2:4w 619 - (UO2)3(PO4)2:4H2O = 3UO2+2 + 2PO4-3 + 4H2O - log_k -37.4 +(UO2)3(PO4)2:4w 619 + (UO2)3(PO4)2:4H2O = 3 UO2+2 + 2 PO4-3 + 4 H2O + log_k -37.4 delta_h 41.5 kcal -H-Autunite 620 - H2(UO2)2(PO4)2 = 2H+ + 2UO2+2 + 2PO4-3 - log_k -47.931 +H-Autunite 620 + H2(UO2)2(PO4)2 = 2 H+ + 2 UO2+2 + 2 PO4-3 + log_k -47.931 delta_h -3.6 kcal -Na-Autunite 621 - Na2(UO2)2(PO4)2 = 2Na+ + 2UO2+2 + 2PO4-3 - log_k -47.409 - delta_h -0.460 kcal +Na-Autunite 621 + Na2(UO2)2(PO4)2 = 2 Na+ + 2 UO2+2 + 2 PO4-3 + log_k -47.409 + delta_h -0.46 kcal -K-Autunite 622 - K2(UO2)2(PO4)2 = 2K+ + 2UO2+2 + 2PO4-3 - log_k -48.244 - delta_h 5.860 kcal +K-Autunite 622 + K2(UO2)2(PO4)2 = 2 K+ + 2 UO2+2 + 2 PO4-3 + log_k -48.244 + delta_h 5.86 kcal -Uramphite 623 - (NH4)2(UO2)2(PO4)2 = 2NH4+ + 2UO2+2 + 2PO4-3 - log_k -51.749 +Uramphite 623 + (NH4)2(UO2)2(PO4)2 = 2 NH4+ + 2 UO2+2 + 2 PO4-3 + log_k -51.749 delta_h 9.7 kcal -Saleeite 624 - Mg(UO2)2(PO4)2 = Mg+2 + 2UO2+2 + 2PO4-3 - log_k -43.646 - delta_h -20.180 kcal +Saleeite 624 + Mg(UO2)2(PO4)2 = Mg+2 + 2 UO2+2 + 2 PO4-3 + log_k -43.646 + delta_h -20.18 kcal -Autunite 625 - Ca(UO2)2(PO4)2 = Ca+2 + 2UO2+2 + 2PO4-3 - log_k -43.927 - delta_h -14.340 kcal +Autunite 625 + Ca(UO2)2(PO4)2 = Ca+2 + 2 UO2+2 + 2 PO4-3 + log_k -43.927 + delta_h -14.34 kcal -Sr-Autunite 626 - Sr(UO2)2(PO4)2 = Sr+2 + 2UO2+2 + 2PO4-3 - log_k -44.457 - delta_h -13.050 kcal +Sr-Autunite 626 + Sr(UO2)2(PO4)2 = Sr+2 + 2 UO2+2 + 2 PO4-3 + log_k -44.457 + delta_h -13.05 kcal -Uranocircite 627 - Ba(UO2)2(PO4)2 = Ba+2 + 2UO2+2 + 2PO4-3 - log_k -44.631 +Uranocircite 627 + Ba(UO2)2(PO4)2 = Ba+2 + 2 UO2+2 + 2 PO4-3 + log_k -44.631 delta_h -10.1 kcal -Bassetite 628 - Fe(UO2)2(PO4)2 = Fe+2 + 2UO2+2 + 2PO4-3 - log_k -44.485 +Bassetite 628 + Fe(UO2)2(PO4)2 = Fe+2 + 2 UO2+2 + 2 PO4-3 + log_k -44.485 delta_h -19.9 kcal -Torbernite 629 - Cu(UO2)2(PO4)2 = Cu+2 + 2UO2+2 + 2PO4-3 - log_k -45.279 +Torbernite 629 + Cu(UO2)2(PO4)2 = Cu+2 + 2 UO2+2 + 2 PO4-3 + log_k -45.279 delta_h -15.9 kcal -Przhevalskite 630 - Pb(UO2)2(PO4)2 = Pb+2 + 2UO2+2 + 2PO4-3 - log_k -44.365 - delta_h -11.0 kcal +Przhevalskite 630 + Pb(UO2)2(PO4)2 = Pb+2 + 2 UO2+2 + 2 PO4-3 + log_k -44.365 + delta_h -11 kcal -Uranophane 632 - Ca(UO2)2(SiO3OH)2 + 6H+ = Ca+2 + 2UO2+2 + 2H4SiO4 - log_k 17.489 +Uranophane 632 + Ca(UO2)2(SiO3OH)2 + 6 H+ = Ca+2 + 2 UO2+2 + 2 H4SiO4 + log_k 17.489 -CO2(g) - CO2 = CO2 - log_k -1.468 +CO2(g) + CO2 = CO2 + log_k -1.468 delta_h -4.776 kcal - -analytical 108.3865 0.01985076 -6919.53 -40.45154 669365.0 + -analytical 108.3865 0.01985076 -6919.53 -40.45154 669365 O2(g) - O2 = O2 + O2 = O2 # log_k -2.960 # delta_h -1.844 kcal # log K from llnl.dat Aug 23, 2005 - log_k -2.8983 - -analytic -7.5001e+000 7.8981e-003 0.0000e+000 0.0000e+000 2.0027e+005 + log_k -2.8983 + -analytic -7.5001e+0 7.8981e-3 0e+0 0e+0 2.0027e+5 H2(g) - H2 = H2 - log_k -3.150 + H2 = H2 + log_k -3.15 delta_h -1.759 kcal N2(g) - N2 = N2 - log_k -3.260 + N2 = N2 + log_k -3.26 delta_h -1.358 kcal H2S(g) - H2S = H2S - log_k -0.997 - delta_h -4.570 kcal + H2S = H2S + log_k -0.997 + delta_h -4.57 kcal CH4(g) - CH4 = CH4 - log_k -2.860 + CH4 = CH4 + log_k -2.86 delta_h -3.373 kcal NH3(g) - NH3 = NH3 - log_k 1.770 - delta_h -8.170 kcal + NH3 = NH3 + log_k 1.77 + delta_h -8.17 kcal EXCHANGE_MASTER_SPECIES - X X- + X X- EXCHANGE_SPECIES X- = X- - log_k 0.0 + log_k 0 Na+ + X- = NaX - log_k 0.0 + log_k 0 K+ + X- = KX - log_k 0.7 + log_k 0.7 Li+ + X- = LiX - log_k -0.08 + log_k -0.08 H+ + X- = HX - log_k 1.0 + log_k 1 NH4+ + X- = NH4X - log_k 0.6 + log_k 0.6 - Ca+2 + 2X- = CaX2 - log_k 0.8 + Ca+2 + 2 X- = CaX2 + log_k 0.8 - Mg+2 + 2X- = MgX2 - log_k 0.6 + Mg+2 + 2 X- = MgX2 + log_k 0.6 - Sr+2 + 2X- = SrX2 - log_k 0.91 + Sr+2 + 2 X- = SrX2 + log_k 0.91 - Ba+2 + 2X- = BaX2 - log_k 0.91 + Ba+2 + 2 X- = BaX2 + log_k 0.91 - Mn+2 + 2X- = MnX2 - log_k 0.52 + Mn+2 + 2 X- = MnX2 + log_k 0.52 - Fe+2 + 2X- = FeX2 - log_k 0.44 + Fe+2 + 2 X- = FeX2 + log_k 0.44 - Cu+2 + 2X- = CuX2 - log_k 0.6 + Cu+2 + 2 X- = CuX2 + log_k 0.6 - Zn+2 + 2X- = ZnX2 - log_k 0.8 + Zn+2 + 2 X- = ZnX2 + log_k 0.8 - Cd+2 + 2X- = CdX2 - log_k 0.8 + Cd+2 + 2 X- = CdX2 + log_k 0.8 - Pb+2 + 2X- = PbX2 - log_k 1.05 + Pb+2 + 2 X- = PbX2 + log_k 1.05 - Al+3 + 3X- = AlX3 - log_k 0.67 + Al+3 + 3 X- = AlX3 + log_k 0.67 SURFACE_MASTER_SPECIES - Hfo_s Hfo_sOH - Hfo_w Hfo_wOH + Hfo_s Hfo_sOH + Hfo_w Hfo_wOH SURFACE_SPECIES -# All surface data from +# All surface data from # Dzombak and Morel, 1990 # # # Acid-base data from table 5.7 # -# strong binding site--Hfo_s, +# strong binding site--Hfo_s, Hfo_sOH = Hfo_sOH - log_k 0.0 + log_k 0 - Hfo_sOH + H+ = Hfo_sOH2+ - log_k 7.29 # = pKa1,int + Hfo_sOH + H+ = Hfo_sOH2+ + log_k 7.29 # = pKa1,int Hfo_sOH = Hfo_sO- + H+ - log_k -8.93 # = -pKa2,int + log_k -8.93 # = -pKa2,int # weak binding site--Hfo_w Hfo_wOH = Hfo_wOH - log_k 0.0 + log_k 0 - Hfo_wOH + H+ = Hfo_wOH2+ - log_k 7.29 # = pKa1,int + Hfo_wOH + H+ = Hfo_wOH2+ + log_k 7.29 # = pKa1,int Hfo_wOH = Hfo_wO- + H+ - log_k -8.93 # = -pKa2,int + log_k -8.93 # = -pKa2,int ############################################### # CATIONS # @@ -3552,64 +3556,64 @@ SURFACE_SPECIES # # Calcium Hfo_sOH + Ca+2 = Hfo_sOHCa+2 - log_k 4.97 + log_k 4.97 Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+ log_k -5.85 # Strontium Hfo_sOH + Sr+2 = Hfo_sOHSr+2 - log_k 5.01 + log_k 5.01 Hfo_wOH + Sr+2 = Hfo_wOSr+ + H+ log_k -6.58 - Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2H+ - log_k -17.60 + Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2 H+ + log_k -17.6 # Barium Hfo_sOH + Ba+2 = Hfo_sOHBa+2 - log_k 5.46 + log_k 5.46 Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+ - log_k -7.2 # table 10.5 + log_k -7.2 # table 10.5 # # Cations from table 10.2 # # Silver Hfo_sOH + Ag+ = Hfo_sOAg + H+ - log_k -1.72 + log_k -1.72 Hfo_wOH + Ag+ = Hfo_wOAg + H+ - log_k -5.3 # table 10.5 + log_k -5.3 # table 10.5 # Nickel Hfo_sOH + Ni+2 = Hfo_sONi+ + H+ - log_k 0.37 + log_k 0.37 Hfo_wOH + Ni+2 = Hfo_wONi+ + H+ - log_k -2.5 # table 10.5 + log_k -2.5 # table 10.5 # Cadmium Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+ - log_k 0.47 + log_k 0.47 Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+ - log_k -2.91 + log_k -2.91 # Zinc Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+ - log_k 0.99 + log_k 0.99 Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+ - log_k -1.99 + log_k -1.99 # Copper Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+ - log_k 2.89 + log_k 2.89 Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+ - log_k 0.6 # table 10.5 + log_k 0.6 # table 10.5 # Lead Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+ - log_k 4.65 + log_k 4.65 Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+ - log_k 0.3 # table 10.5 + log_k 0.3 # table 10.5 # # Derived constants table 10.5 # @@ -3619,17 +3623,17 @@ SURFACE_SPECIES # Manganese Hfo_sOH + Mn+2 = Hfo_sOMn+ + H+ - log_k -0.4 # table 10.5 + log_k -0.4 # table 10.5 Hfo_wOH + Mn+2 = Hfo_wOMn+ + H+ - log_k -3.5 # table 10.5 + log_k -3.5 # table 10.5 # Uranyl Hfo_sOH + UO2+2 = Hfo_sOUO2+ + H+ - log_k 5.2 # table 10.5 + log_k 5.2 # table 10.5 Hfo_wOH + UO2+2 = Hfo_wOUO2+ + H+ - log_k 2.8 # table 10.5 + log_k 2.8 # table 10.5 # Iron # Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+ @@ -3641,91 +3645,91 @@ SURFACE_SPECIES # Iron, strong site: Appelo, Van der Weiden, Tournassat & Charlet, subm. Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+ - log_k -0.95 + log_k -0.95 # Iron, weak site: Liger et al., GCA 63, 2939, re-optimized for D&M Hfo_wOH + Fe+2 = Hfo_wOFe+ + H+ log_k -2.98 - Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2H+ + Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2 H+ log_k -11.55 ############################################### # ANIONS # ############################################### # -# Anions from table 10.6 +# Anions from table 10.6 # # Phosphate - Hfo_wOH + PO4-3 + 3H+ = Hfo_wH2PO4 + H2O - log_k 31.29 + Hfo_wOH + PO4-3 + 3 H+ = Hfo_wH2PO4 + H2O + log_k 31.29 - Hfo_wOH + PO4-3 + 2H+ = Hfo_wHPO4- + H2O - log_k 25.39 + Hfo_wOH + PO4-3 + 2 H+ = Hfo_wHPO4- + H2O + log_k 25.39 Hfo_wOH + PO4-3 + H+ = Hfo_wPO4-2 + H2O - log_k 17.72 + log_k 17.72 # Arsenate - Hfo_wOH + AsO4-3 + 3H+ = Hfo_wH2AsO4 + H2O - log_k 29.31 + Hfo_wOH + AsO4-3 + 3 H+ = Hfo_wH2AsO4 + H2O + log_k 29.31 - Hfo_wOH + AsO4-3 + 2H+ = Hfo_wHAsO4- + H2O - log_k 23.51 + Hfo_wOH + AsO4-3 + 2 H+ = Hfo_wHAsO4- + H2O + log_k 23.51 Hfo_wOH + AsO4-3 = Hfo_wOHAsO4-3 - log_k 10.58 + log_k 10.58 # # Anions from table 10.7 # # Arsenite Hfo_wOH + H3AsO3 = Hfo_wH2AsO3 + H2O - log_k 5.41 + log_k 5.41 # Borate Hfo_wOH + H3BO3 = Hfo_wH2BO3 + H2O - log_k 0.62 + log_k 0.62 # # Anions from table 10.8 # # Sulfate Hfo_wOH + SO4-2 + H+ = Hfo_wSO4- + H2O - log_k 7.78 + log_k 7.78 Hfo_wOH + SO4-2 = Hfo_wOHSO4-2 - log_k 0.79 + log_k 0.79 # Selenate Hfo_wOH + SeO4-2 + H+ = Hfo_wSeO4- + H2O - log_k 7.73 + log_k 7.73 Hfo_wOH + SeO4-2 = Hfo_wOHSeO4-2 - log_k 0.80 + log_k 0.8 # Selenite Hfo_wOH + SeO3-2 + H+ = Hfo_wSeO3- + H2O - log_k 12.69 + log_k 12.69 Hfo_wOH + SeO3-2 = Hfo_wOHSeO3-2 - log_k 5.17 + log_k 5.17 # # Derived constants table 10.10 # Hfo_wOH + F- + H+ = Hfo_wF + H2O - log_k 8.7 + log_k 8.7 Hfo_wOH + F- = Hfo_wOHF- - log_k 1.6 + log_k 1.6 # # Carbonate: Van Geen et al., 1994 reoptimized for HFO # 0.15 g HFO/L has 0.344 mM sites == 2 g of Van Geen's Goethite/L # Hfo_wOH + CO3-2 + H+ = Hfo_wCO3- + H2O - log_k 12.56 + log_k 12.56 - Hfo_wOH + CO3-2 + 2H+= Hfo_wHCO3 + H2O - log_k 20.62 + Hfo_wOH + CO3-2 + 2 H+ = Hfo_wHCO3 + H2O + log_k 20.62 # # Silicate: Swedlund, P.J. and Webster, J.G., 1999. Water Research, 33, 3413-3422. # - Hfo_wOH + H4SiO4 = Hfo_wH3SiO4 + H2O ; log_K 4.28 - Hfo_wOH + H4SiO4 = Hfo_wH2SiO4- + H+ + H2O ; log_K -3.22 - Hfo_wOH + H4SiO4 = Hfo_wHSiO4-2 + 2H+ + H2O ; log_K -11.69 + Hfo_wOH + H4SiO4 = Hfo_wH3SiO4 + H2O; log_K 4.28 + Hfo_wOH + H4SiO4 = Hfo_wH2SiO4- + H+ + H2O; log_K -3.22 + Hfo_wOH + H4SiO4 = Hfo_wHSiO4-2 + 2 H+ + H2O; log_K -11.69 RATES ########### @@ -3743,15 +3747,15 @@ RATES Quartz -start -1 REM Specific rate k from Rimstidt and Barnes, 1980, GCA 44,1683 -2 REM k = 10^-13.7 mol/m2/s (25 C), Ea = 90 kJ/mol -3 REM sp. rate * parm(2) due to salts (Dove and Rimstidt, MSA Rev. 29, 259) -4 REM PARM(1) = Specific area of Quartz, m^2/mol Quartz -5 REM PARM(2) = salt correction: (1 + 1.5 * c_Na (mM)), < 35 +1 REM Specific rate k from Rimstidt and Barnes, 1980, GCA 44,1683 +2 REM k = 10^-13.7 mol/m2/s (25 C), Ea = 90 kJ/mol +3 REM sp. rate * parm(2) due to salts (Dove and Rimstidt, MSA Rev. 29, 259) +4 REM PARM(1) = Specific area of Quartz, m^2/mol Quartz +5 REM PARM(2) = salt correction: (1 + 1.5 * c_Na (mM)), < 35 10 dif_temp = 1/TK - 1/298 20 pk_w = 13.7 + 4700.4 * dif_temp -40 moles = PARM(1) * M0 * PARM(2) * (M/M0)^0.67 * 10^-pk_w * (1 - SR("Quartz")) +40 moles = PARM(1) * M0 * PARM(2) * (M/M0)^0.67 * 10^-pk_w * (1 - SR("Quartz")) # Integrate... 50 SAVE moles * TIME -end @@ -3796,38 +3800,38 @@ Quartz K-feldspar -start -1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 -2 REM PARM(1) = Specific area of Kspar m^2/mol Kspar -3 REM PARM(2) = Adjusts lab rate to field rate -4 REM temp corr: from A&P, p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) -5 REM K-Feldspar parameters -10 DATA 11.7, 0.5, 4e-6, 0.4, 500e-6, 0.15, 14.5, 0.14, 0.15, 13.1, 0.3 -20 RESTORE 10 -30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH -40 DATA 3500, 2000, 2500, 2000 -50 RESTORE 40 -60 READ e_H, e_H2O, e_OH, e_CO2 -70 pk_CO2 = 13 -80 n_CO2 = 0.6 +1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 +2 REM PARM(1) = Specific area of Kspar m^2/mol Kspar +3 REM PARM(2) = Adjusts lab rate to field rate +4 REM temp corr: from A&P, p. 162 E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) +5 REM K-Feldspar parameters +10 DATA 11.7, 0.5, 4e-6, 0.4, 500e-6, 0.15, 14.5, 0.14, 0.15, 13.1, 0.3 +20 RESTORE 10 +30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH +40 DATA 3500, 2000, 2500, 2000 +50 RESTORE 40 +60 READ e_H, e_H2O, e_OH, e_CO2 +70 pk_CO2 = 13 +80 n_CO2 = 0.6 100 REM Generic rate follows 110 dif_temp = 1/TK - 1/281 -120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2") +120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2") 130 REM rate by H+ -140 pk_H = pk_H + e_H * dif_temp -150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC) +140 pk_H = pk_H + e_H * dif_temp +150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC) 160 REM rate by hydrolysis -170 pk_H2O = pk_H2O + e_H2O * dif_temp +170 pk_H2O = pk_H2O + e_H2O * dif_temp 180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC) 190 REM rate by OH- -200 pk_OH = pk_OH + e_OH * dif_temp -210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH +200 pk_OH = pk_OH + e_OH * dif_temp +210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH 220 REM rate by CO2 -230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp +230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp 240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2 -250 rate = rate_H + rate_H2O + rate_OH + rate_CO2 -260 area = PARM(1) * M0 *(M/M0)^0.67 -270 rate = PARM(2) * area * rate * (1-SR("K-feldspar")) -280 moles = rate * TIME +250 rate = rate_H + rate_H2O + rate_OH + rate_CO2 +260 area = PARM(1) * M0 *(M/M0)^0.67 +270 rate = PARM(2) * area * rate * (1-SR("K-feldspar")) +280 moles = rate * TIME 290 SAVE moles -end @@ -3871,38 +3875,38 @@ K-feldspar Albite -start -1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 -2 REM PARM(1) = Specific area of Albite m^2/mol Albite -3 REM PARM(2) = Adjusts lab rate to field rate -4 REM temp corr: from A&P, p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) -5 REM Albite parameters -10 DATA 11.5, 0.5, 4e-6, 0.4, 500e-6, 0.2, 13.7, 0.14, 0.15, 11.8, 0.3 -20 RESTORE 10 -30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH -40 DATA 3500, 2000, 2500, 2000 -50 RESTORE 40 -60 READ e_H, e_H2O, e_OH, e_CO2 -70 pk_CO2 = 13 -80 n_CO2 = 0.6 +1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 +2 REM PARM(1) = Specific area of Albite m^2/mol Albite +3 REM PARM(2) = Adjusts lab rate to field rate +4 REM temp corr: from A&P, p. 162 E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) +5 REM Albite parameters +10 DATA 11.5, 0.5, 4e-6, 0.4, 500e-6, 0.2, 13.7, 0.14, 0.15, 11.8, 0.3 +20 RESTORE 10 +30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH +40 DATA 3500, 2000, 2500, 2000 +50 RESTORE 40 +60 READ e_H, e_H2O, e_OH, e_CO2 +70 pk_CO2 = 13 +80 n_CO2 = 0.6 100 REM Generic rate follows 110 dif_temp = 1/TK - 1/281 -120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2") +120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2") 130 REM rate by H+ -140 pk_H = pk_H + e_H * dif_temp -150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC) +140 pk_H = pk_H + e_H * dif_temp +150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC) 160 REM rate by hydrolysis -170 pk_H2O = pk_H2O + e_H2O * dif_temp +170 pk_H2O = pk_H2O + e_H2O * dif_temp 180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC) 190 REM rate by OH- -200 pk_OH = pk_OH + e_OH * dif_temp -210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH +200 pk_OH = pk_OH + e_OH * dif_temp +210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH 220 REM rate by CO2 -230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp +230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp 240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2 -250 rate = rate_H + rate_H2O + rate_OH + rate_CO2 -260 area = PARM(1) * M0 *(M/M0)^0.67 -270 rate = PARM(2) * area * rate * (1-SR("Albite")) -280 moles = rate * TIME +250 rate = rate_H + rate_H2O + rate_OH + rate_CO2 +260 area = PARM(1) * M0 *(M/M0)^0.67 +270 rate = PARM(2) * area * rate * (1-SR("Albite")) +280 moles = rate * TIME 290 SAVE moles -end @@ -3910,7 +3914,7 @@ Albite #Calcite ######## # Example of KINETICS data block for calcite rate, -# in mmol/cm2/s, Plummer et al., 1978, AJS 278, 179; Appelo et al., AG 13, 257. +# in mmol/cm2/s, Plummer et al., 1978, AJS 278, 179; Appelo et al., AG 13, 257 # KINETICS 1 # Calcite # -tol 1e-8 @@ -3921,16 +3925,16 @@ Albite Calcite -start -1 REM PARM(1) = specific surface area of calcite, cm^2/mol calcite -2 REM PARM(2) = exponent for M/M0 - -10 si_cc = SI("Calcite") -20 IF (M <= 0 and si_cc < 0) THEN GOTO 200 -30 k1 = 10^(0.198 - 444.0 / TK ) -40 k2 = 10^(2.84 - 2177.0 /TK ) -50 IF TC <= 25 THEN k3 = 10^(-5.86 - 317.0 / TK) -60 IF TC > 25 THEN k3 = 10^(-1.1 - 1737.0 / TK ) -80 IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M +1 REM PARM(1) = specific surface area of calcite, cm^2/mol calcite +2 REM PARM(2) = exponent for M/M0 + +10 si_cc = SI("Calcite") +20 IF (M <= 0 and si_cc < 0) THEN GOTO 200 +30 k1 = 10^(0.198 - 444 / TK ) +40 k2 = 10^(2.84 - 2177 /TK ) +50 IF TC <= 25 THEN k3 = 10^(-5.86 - 317 / TK) +60 IF TC > 25 THEN k3 = 10^(-1.1 - 1737 / TK ) +80 IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M 110 rate = area * (k1 * ACT("H+") + k2 * ACT("CO2") + k3 * ACT("H2O")) 120 rate = rate * (1 - 10^(2/3*si_cc)) 130 moles = rate * 0.001 * TIME # convert from mmol to mol @@ -3955,18 +3959,18 @@ Calcite # -time 1 day in 10 Pyrite -start -1 REM Williamson and Rimstidt, 1994 -2 REM PARM(1) = log10(specific area), log10(m^2 per mole pyrite) -3 REM PARM(2) = exp for (M/M0) -4 REM PARM(3) = exp for O2 -5 REM PARM(4) = exp for H+ - -10 REM Dissolution in presence of DO -20 if (M <= 0) THEN GOTO 200 -30 if (SI("Pyrite") >= 0) THEN GOTO 200 -40 log_rate = -8.19 + PARM(3)*LM("O2") + PARM(4)*LM("H+") -50 log_area = PARM(1) + LOG10(M0) + PARM(2)*LOG10(M/M0) -60 moles = 10^(log_area + log_rate) * TIME +1 REM Williamson and Rimstidt, 1994 +2 REM PARM(1) = log10(specific area), log10(m^2 per mole pyrite) +3 REM PARM(2) = exp for (M/M0) +4 REM PARM(3) = exp for O2 +5 REM PARM(4) = exp for H+ + +10 REM Dissolution in presence of DO +20 if (M <= 0) THEN GOTO 200 +30 if (SI("Pyrite") >= 0) THEN GOTO 200 +40 log_rate = -8.19 + PARM(3)*LM("O2") + PARM(4)*LM("H+") +50 log_area = PARM(1) + LOG10(M0) + PARM(2)*LOG10(M/M0) +60 moles = 10^(log_area + log_rate) * TIME 200 SAVE moles -end @@ -3983,19 +3987,19 @@ Pyrite # -time 30 year in 15 Organic_C -start -1 REM Additive Monod kinetics for SOC (sediment organic carbon) -2 REM Electron acceptors: O2, NO3, and SO4 - -10 if (M <= 0) THEN GOTO 200 -20 mO2 = MOL("O2") -30 mNO3 = TOT("N(5)") -40 mSO4 = TOT("S(6)") -50 k_O2 = 1.57e-9 # 1/sec -60 k_NO3 = 1.67e-11 # 1/sec -70 k_SO4 = 1.e-13 # 1/sec -80 rate = k_O2 * mO2/(2.94e-4 + mO2) -90 rate = rate + k_NO3 * mNO3/(1.55e-4 + mNO3) -100 rate = rate + k_SO4 * mSO4/(1.e-4 + mSO4) +1 REM Additive Monod kinetics for SOC (sediment organic carbon) +2 REM Electron acceptors: O2, NO3, and SO4 + +10 if (M <= 0) THEN GOTO 200 +20 mO2 = MOL("O2") +30 mNO3 = TOT("N(5)") +40 mSO4 = TOT("S(6)") +50 k_O2 = 1.57e-9 # 1/sec +60 k_NO3 = 1.67e-11 # 1/sec +70 k_SO4 = 1.e-13 # 1/sec +80 rate = k_O2 * mO2/(2.94e-4 + mO2) +90 rate = rate + k_NO3 * mNO3/(1.55e-4 + mNO3) +100 rate = rate + k_SO4 * mSO4/(1.e-4 + mSO4) 110 moles = rate * M * (M/M0) * TIME 200 SAVE moles -end @@ -4016,14 +4020,14 @@ Organic_C # -time 0.5 day in 10 Pyrolusite -start -10 if (M <= 0) THEN GOTO 200 -20 sr_pl = SR("Pyrolusite") -30 if (sr_pl > 1) THEN GOTO 100 -40 REM sr_pl <= 1, undersaturated -50 Fe_t = TOT("Fe(2)") -60 if Fe_t < 1e-8 then goto 200 -70 moles = 6.98e-5 * Fe_t * (M/M0)^0.67 * TIME * (1 - sr_pl) -80 GOTO 200 +10 if (M <= 0) THEN GOTO 200 +20 sr_pl = SR("Pyrolusite") +30 if (sr_pl > 1) THEN GOTO 100 +40 REM sr_pl <= 1, undersaturated +50 Fe_t = TOT("Fe(2)") +60 if Fe_t < 1e-8 then goto 200 +70 moles = 6.98e-5 * Fe_t * (M/M0)^0.67 * TIME * (1 - sr_pl) +80 GOTO 200 100 REM sr_pl > 1, supersaturated 110 moles = 2e-3 * 6.98e-5 * (1 - sr_pl) * TIME 200 SAVE moles * SOLN_VOL diff --git a/src/phreeqcinwt/examples/simple_ph_adjust.py b/src/phreeqcinwt/examples/simple_ph_adjust.py index 693f5cc..b7592a9 100644 --- a/src/phreeqcinwt/examples/simple_ph_adjust.py +++ b/src/phreeqcinwt/examples/simple_ph_adjust.py @@ -2,8 +2,8 @@ if __name__ == "__main__": - phreeqcWT = phreeqcWTapi(database="llnl.dat") # , ignore_phase_list=["Dolomite"]) - # phreeqcWT = phreeqcWTapi(database="phreeqc.dat") + # phreeqcWT = phreeqcWTapi(database="llnl.dat") # , ignore_phase_list=["Dolomite"]) + phreeqcWT = phreeqcWTapi(database="phreeqc.dat") # phreeqcWT = phreeqcWTapi(database="minteq.v4.dat") # basic brackish water input_composition = { diff --git a/src/phreeqcinwt/phreeqc_com/3_8_6-1700/IPhreeqc.dll 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z{2_*TU0<*=XsreZ2Drz8vKC*9zon{0f;rNMfB(;`!hZ~LUj~Jnth1JF@@=Zz_1 zwRQnz!CsOAbT9Ej6n9-ciCT4a1--4-4D!Rv);%cb3g!pH!H!@w*cprkc@dH^wBZcq z@n77*!k{Nu6!Zqmf;toaU{x>>tPTc)b-_@ujpN#bk$)e1JSZCzHrh7wfZh1K`006w z9!HyxH``kBTHGx~%v@DVu%)d {out_path}") + + print("Done.") + + +if __name__ == "__main__": + generate() diff --git a/src/phreeqcinwt/tests/test_data/llnl_solution.json b/src/phreeqcinwt/tests/test_data/llnl_solution.json new file mode 100644 index 0000000..e3172ec --- /dev/null +++ b/src/phreeqcinwt/tests/test_data/llnl_solution.json @@ -0,0 +1,1526 @@ +{ + "scaling_tendencies": { + "Dolomite-ord": { + "value": 11.129669822714837, + "units": "dimensionless" + }, + "Dolomite": { + "value": 10.906458464933685, + "units": "dimensionless" + }, + "Calcite": { + "value": 1.1907553291417685, + "units": "dimensionless" + }, + "Aragonite": { + "value": 0.8511477746448314, + "units": "dimensionless" + }, + "Ice": { + "value": 0.7587697363687628, + "units": "dimensionless" + }, + "Dolomite-dis": { + "value": 0.29022840097430624, + "units": "dimensionless" + }, + "Gypsum": { + "value": 0.257328810139616, + "units": "dimensionless" + }, + "Magnesite": { + "value": 0.2025699440672948, + "units": "dimensionless" + }, + "Monohydrocalcite": { + "value": 0.1732776741100633, + "units": "dimensionless" + }, + "Anhydrite": { + "value": 0.15160107580232726, + "units": "dimensionless" + }, + "Bassanite": { + "value": 0.0343379654009106, + "units": "dimensionless" + }, + "CO2(g)": { + "value": 0.025007635227068985, + "units": "dimensionless" + }, + "CaSO4:0.5H2O(beta)": { + "value": 0.022843411226620144, + "units": "dimensionless" + }, + "H2O(g)": { + "value": 0.019143143953518977, + "units": "dimensionless" + }, + "Lansfordite": { + "value": 0.0007418697237935813, + "units": "dimensionless" + }, + "Epsomite": { + "value": 0.000381646093830802, + "units": "dimensionless" + }, + "Huntite": { + "value": 0.0002436577489126088, + "units": "dimensionless" + }, + "Hexahydrite": { + "value": 0.00022221293425420498, + "units": "dimensionless" + }, + "Nesquehonite": { + "value": 0.0001893856491943755, + "units": "dimensionless" + }, + "Nahcolite": { + "value": 0.0001551585606370386, + "units": "dimensionless" + }, + "Pentahydrite": { + "value": 0.00010180704840922548, + "units": "dimensionless" + }, + "Mirabilite": { + "value": 4.947586763243118e-05, + "units": "dimensionless" + }, + "Starkeyite": { + "value": 4.1791346001958096e-05, + "units": "dimensionless" + }, + "Halite": { + "value": 1.4649951692113894e-05, + "units": "dimensionless" + }, + "Kieserite": { + "value": 7.76268379987607e-06, + "units": "dimensionless" + }, + "Glauberite": { + "value": 4.676183269019389e-06, + "units": "dimensionless" + }, + "Thenardite": { + "value": 4.582809471070501e-06, + "units": "dimensionless" + }, + "Brucite": { + "value": 3.1260211018746483e-06, + "units": "dimensionless" + }, + "Sylvite": { + "value": 6.214571914312911e-07, + "units": "dimensionless" + }, + "Kalicinite": { + "value": 3.706222128832216e-07, + "units": "dimensionless" + }, + "Artinite": { + "value": 6.379801829638806e-08, + "units": "dimensionless" + }, + "Syngenite": { + "value": 3.1674905361125413e-08, + "units": "dimensionless" + }, + "Gaylussite": { + "value": 1.640773237346156e-08, + "units": "dimensionless" + }, + "Pirssonite": { + "value": 1.142810181437941e-08, + "units": "dimensionless" + }, + "Natron": { + "value": 9.01052269130261e-09, + "units": "dimensionless" + }, + "Arcanite": { + "value": 8.447265118054168e-09, + "units": "dimensionless" + }, + "Mg1.25SO4(OH)0.5:0.5H2O": { + "value": 8.195714972593547e-09, + "units": "dimensionless" + }, + "Na2CO3:7H2O": { + "value": 3.461423199791992e-09, + "units": "dimensionless" + }, + "Bloedite": { + "value": 2.581883553307394e-09, + "units": "dimensionless" + }, + "Mg1.5SO4(OH)": { + "value": 3.9104969540308495e-10, + "units": "dimensionless" + }, + "Thermonatrite": { + "value": 2.410617178034515e-10, + "units": "dimensionless" + }, + "Na2CO3": { + "value": 1.3193215332208146e-10, + "units": "dimensionless" + }, + "Antarcticite": { + "value": 8.225792251066295e-11, + "units": "dimensionless" + }, + "MgSO4": { + "value": 3.3325603032989104e-11, + "units": "dimensionless" + }, + "Kainite": { + "value": 3.1770932705488204e-11, + "units": "dimensionless" + }, + "Na4Ca(SO4)3:2H2O": { + "value": 2.5499096406983926e-11, + "units": "dimensionless" + }, + "Bischofite": { + "value": 2.2488314896114857e-11, + "units": "dimensionless" + }, + "Periclase": { + "value": 2.1784670981636464e-11, + "units": "dimensionless" + }, + "Picromerite": { + "value": 1.182910647405234e-11, + "units": "dimensionless" + }, + "KNaCO3:6H2O": { + "value": 9.792986953176402e-12, + "units": "dimensionless" + }, + "Leonite": { + "value": 5.583017199199105e-12, + "units": "dimensionless" + }, + "Polyhalite": { + "value": 5.2950303512421766e-12, + "units": "dimensionless" + }, + "Portlandite": { + "value": 2.778647758240039e-12, + "units": "dimensionless" + }, + "Mercallite": { + "value": 1.588113888348535e-12, + "units": "dimensionless" + }, + "Oxychloride-Mg": { + "value": 5.097462026415066e-13, + "units": "dimensionless" + }, + "Hydromagnesite": { + "value": 2.0933745831731753e-14, + "units": "dimensionless" + }, + "MgCl2:4H2O": { + "value": 2.0300905479053617e-14, + "units": "dimensionless" + }, + "MgOHCl": { + "value": 1.5205615857910316e-14, + "units": "dimensionless" + }, + "Aphthitalite": { + "value": 1.1598426006217415e-14, + "units": "dimensionless" + }, + "HCl(g)": { + "value": 6.213681733842964e-16, + "units": "dimensionless" + }, + "Na3H(SO4)2": { + "value": 1.3045651675237284e-16, + "units": "dimensionless" + }, + "Carnallite": { + "value": 1.0989856133862311e-16, + "units": "dimensionless" + }, + "K2CO3:1.5H2O": { + "value": 5.304196921803563e-17, + "units": "dimensionless" + }, + "Hydrophilite": { + "value": 1.0496795343277698e-18, + "units": "dimensionless" + }, + "Trona-K": { + "value": 3.282318120843845e-19, + "units": "dimensionless" + }, + "MgCl2:2H2O": { + "value": 5.460368307499313e-20, + "units": "dimensionless" + }, + "Burkeite": { + "value": 3.493016822854493e-20, + "units": "dimensionless" + }, + "K3H(SO4)2": { + "value": 2.504172549371635e-20, + "units": "dimensionless" + }, + "Ca2Cl2(OH)2:H2O": { + "value": 1.251595015857449e-21, + "units": "dimensionless" + }, + "Lime": { + "value": 1.6900276135605882e-22, + "units": "dimensionless" + }, + "H2(g)": { + "value": 7.655634941496346e-23, + "units": "dimensionless" + }, + "MgCl2:H2O": { + "value": 2.0717152787153056e-23, + "units": "dimensionless" + }, + "KMgCl3:2H2O": { + "value": 1.3408016741560987e-26, + "units": "dimensionless" + }, + "CO(g)": { + "value": 6.070641997550049e-28, + "units": "dimensionless" + }, + "Chloromagnesite": { + "value": 2.8583148059580764e-29, + "units": "dimensionless" + }, + "C": { + "value": 5.238083252972999e-32, + "units": "dimensionless" + }, + "KMgCl3": { + "value": 4.763484432530414e-34, + "units": "dimensionless" + }, + "SO2(g)": { + "value": 3.879097464780068e-34, + "units": "dimensionless" + }, + "Tachyhydrite": { + "value": 2.2737496186713063e-36, + "units": "dimensionless" + }, + "Ca4Cl2(OH)6:13H2O": { + "value": 6.368669736205012e-41, + "units": "dimensionless" + }, + "O2(g)": { + "value": 2.62977661482868e-41, + "units": "dimensionless" + }, + "Cl2(g)": { + "value": 5.801164225230672e-43, + "units": "dimensionless" + }, + "S": { + "value": 4.838046882855606e-47, + "units": "dimensionless" + }, + "Na": { + "value": 5.656240992157863e-53, + "units": "dimensionless" + }, + "Na2O": { + "value": 2.1523351120446713e-58, + "units": "dimensionless" + }, + "K": { + "value": 9.160896798343456e-59, + "units": "dimensionless" + }, + "K8H4(CO3)6:3H2O": { + "value": 8.069842478167823e-59, + "units": "dimensionless" + }, + "H2S(g)": { + "value": 3.230775486088653e-63, + "units": "dimensionless" + }, + "Na(g)": { + "value": 8.783687578363235e-67, + "units": "dimensionless" + }, + "CH4(g)": { + "value": 3.99306364148928e-67, + "units": "dimensionless" + }, + "K(g)": { + "value": 1.2428024709893303e-69, + "units": "dimensionless" + }, + "Misenite": { + "value": 4.5811284517872804e-79, + "units": "dimensionless" + }, + "K2O": { + "value": 1.5554178099541975e-79, + "units": "dimensionless" + }, + "Mg": { + "value": 1.2054470531220371e-92, + "units": "dimensionless" + }, + "S2(g)": { + "value": 1.2371598852954071e-107, + "units": "dimensionless" + }, + "Ca": { + "value": 6.360532166783235e-110, + "units": "dimensionless" + }, + "Mg(g)": { + "value": 8.285907903955443e-113, + "units": "dimensionless" + }, + "Ca(g)": { + "value": 1.0804052380143737e-135, + "units": "dimensionless" + }, + "C(g)": { + "value": 9.1584613349444e-152, + "units": "dimensionless" + }, + "max": { + "value": 11.129669822714837, + "scalant": "Dolomite-ord" + } + }, + "solution_state": { + "pH": { + "value": 7.0, + "units": "dimensionless" + }, + "pe": { + "value": 4.0, + "units": "dimensionless" + }, + "Temperature": { + "value": 20.0, + "units": "C" + }, + "Alkalinity": { + "value": 0.267572192556725, + "units": "g/kgw as Ca0.5(CO3)0.5" + }, + "Charge balance": { + "value": -8.27463098040937e-15, + "units": "eq" + }, + "Error in charge": { + "value": -8.740135321156754e-12, + "units": "%" + }, + "Water mass": { + "value": 1.0, + "units": "kg" + }, + "Solution density": { + "value": 1.003406177172506, + "units": "kg/L" + }, + "Ionic strength": { + "value": 0.06294607889954612, + "units": "M" + }, + "Solution conductivity": { + "value": 0.0, + "units": "uS/cm" + }, + "Solution volume": { + "value": 1.0, + "units": "L" + }, + "Total dissolved solids": { + "value": 3.4064908797791427, + "units": "g/L" + }, + "Solution mass": { + "value": 3.406492390903871, + "units": "kg" + }, + "Osmotic pressure": { + "units": "Pa", + "value": 187645.36166906697 + } + }, + "composition": { + "elements": { + "H": { + "mols": 111.05596992672929, + "mass (g)": 111.93786538391744, + "mw (g/mol)": 1.007941, + "concentration (g/L)": 111.93786538391744 + }, + "O": { + "mols": 55.585387889377884, + "mass (g)": 889.3331329242519, + "mw (g/mol)": 15.999405, + "concentration (g/L)": 889.3331329242519 + }, + "Na": { + "mols": 0.032144690253938735, + "mass (g)": 0.7389990125151161, + "mw (g/mol)": 22.98976928, + "concentration (g/L)": 0.7389990125151161 + }, + "Cl": { + "mols": 0.026255201505915093, + "mass (g)": 0.9308230334690573, + "mw (g/mol)": 35.4529, + "concentration (g/L)": 0.9308230334690573 + }, + "SO4": { + "mols": 0.010526644592990566, + "mass (g)": 1.0112149540825888, + "mw (g/mol)": 96.06242, + "concentration (g/L)": 1.0112149540825888 + }, + "Ca": { + "mols": 0.006437446978392138, + "mass (g)": 0.2580000000000001, + "mw (g/mol)": 40.078, + "concentration (g/L)": 0.2580000000000001 + }, + "Mg": { + "mols": 0.003702941781526444, + "mass (g)": 0.09000037029417837, + "mw (g/mol)": 24.3051, + "concentration (g/L)": 0.09000037029417837 + }, + "K": { + "mols": 0.0002301890363519643, + "mass (g)": 0.009000000000000006, + "mw (g/mol)": 39.0983, + "concentration (g/L)": 0.009000000000000006 + } + }, + "species": { + "Na+": { + "mols": 0.031229269932942484, + "mass (g)": 0.7179365787911288, + "mw (g/mol)": 22.989220700090936, + "concentration (g/L)": 0.7179365787911288 + }, + "Cl-": { + "mols": 0.02612699662192846, + "mass (g)": 0.9262921312829985, + "mw (g/mol)": 35.453448579909065, + "concentration (g/L)": 0.9262921312829985 + }, + "SO4-2": { + "mols": 0.007789240872519055, + "mass (g)": 0.748261874219191, + "mw (g/mol)": 96.06351715981813, + "concentration (g/L)": 0.748261874219191 + }, + "Ca+2": { + "mols": 0.005198969163628645, + "mass (g)": 0.2083585820398468, + "mw (g/mol)": 40.07690284018187, + "concentration (g/L)": 0.2083585820398468 + }, + "HCO3-": { + "mols": 0.004949456454356083, + "mass (g)": 0.3020031849043455, + "mw (g/mol)": 61.01744457990907, + "concentration (g/L)": 0.3020031849043455 + }, + "Mg+2": { + 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0.0, + "units": "unitless" + }, + "NaSO4-": { + "value": 0.0, + "units": "unitless" + }, + "K+": { + "value": 0.0, + "units": "unitless" + }, + "CaHCO3+": { + "value": 0.0, + "units": "unitless" + }, + "MgHCO3+": { + "value": 0.0, + "units": "unitless" + }, + "NaHCO3": { + "value": 0.0, + "units": "unitless" + }, + "CaCO3": { + "value": 0.0, + "units": "unitless" + }, + "KSO4-": { + "value": 0.0, + "units": "unitless" + }, + "CO3-2": { + "value": 0.0, + "units": "unitless" + }, + "MgCO3": { + "value": 0.0, + "units": "unitless" + }, + "NaCO3-": { + "value": 0.0, + "units": "unitless" + }, + "H+": { + "value": 0.0, + "units": "unitless" + }, + "OH-": { + "value": 0.0, + "units": "unitless" + }, + "HSO4-": { + "value": 0.0, + "units": "unitless" + }, + "MgOH+": { + "value": 0.0, + "units": "unitless" + }, + "CaOH+": { + "value": 0.0, + "units": "unitless" + }, + "CaHSO4+": { + "value": 0.0, + "units": "unitless" + }, + "H2": { + "value": 0.0, + "units": "unitless" + }, + "O2": { + "value": 0.0, + "units": "unitless" + }, + "H2S": { + "value": 0.0, + "units": "unitless" + }, + "HS-": { + "value": 0.0, + "units": "unitless" + }, + "S-2": { + "value": 0.0, + "units": "unitless" + }, + "S2-2": { + "value": 0.0, + "units": "unitless" + }, + "S3-2": { + "value": 0.0, + "units": "unitless" + }, + "S4-2": { + "value": 0.0, + "units": "unitless" + }, + "S5-2": { + "value": 0.0, + "units": "unitless" + }, + "S6-2": { + "value": 0.0, + "units": "unitless" + }, + "CH4": { + "value": 0.0, + "units": "unitless" + } + } + } +} \ No newline at end of file diff --git a/src/phreeqcinwt/tests/test_solution_build.py b/src/phreeqcinwt/tests/test_solution_build.py new file mode 100644 index 0000000..44e5681 --- /dev/null +++ b/src/phreeqcinwt/tests/test_solution_build.py @@ -0,0 +1,135 @@ +import json +import os + +import numpy as np +import pytest + +from phreeqcinwt.phreeqc_wt_api import phreeqcWTapi + +TEST_DATA_DIR = os.path.join(os.path.dirname(__file__), "test_data") + +# Standard brackish water composition (from simple_ph_adjust example) +INPUT_COMPOSITION = { + "Na": 0.739, + "K": 0.009, + "Cl": 1.109231, + "Ca": 0.258, + "Mg": 0.090, + "HCO3": 0.385, + "SO4": 1.011, +} + +BUILD_KWARGS = dict( + charge_balance="Cl", + pH=7, + pe=4, + units="g/L", + pressure=1, + temperature=20, + assume_alkalinity=False, +) + +DATABASES = [ + "phreeqc.dat", + "pitzer.dat", + "llnl.dat", + "minteq.dat", + "minteq.v4.dat", + "wateq4f.dat", +] + + +def _db_stem(db_name): + return db_name.replace(".dat", "").replace(".", "_") + + +def _load_reference(db_name): + path = os.path.join(TEST_DATA_DIR, f"{_db_stem(db_name)}_solution.json") + with open(path) as f: + return json.load(f) + + +@pytest.fixture(params=DATABASES, ids=[_db_stem(db) for db in DATABASES]) +def solution_result(request): + """Build a standard brackish-water solution for each database and return (result, reference).""" + db = request.param + wt = phreeqcWTapi(database=db) + result = wt.build_water_composition( + input_composition=INPUT_COMPOSITION.copy(), + **BUILD_KWARGS, + ) + reference = _load_reference(db) + return result, reference, db + + +# --------------------------------------------------------------------------- +# Helpers +# --------------------------------------------------------------------------- + +SOLUTION_STATE_KEYS = [ + "pH", + "pe", + "Temperature", + "Alkalinity", + "Charge balance", + "Error in charge", + "Water mass", + "Solution density", + "Ionic strength", + "Solution conductivity", + "Solution volume", + "Total dissolved solids", + "Solution mass", + "Osmotic pressure", +] + + +def _approx(expected, rel=1e-3): + """Return a pytest.approx with a default 0.1 % relative tolerance.""" + return pytest.approx(expected, rel=rel) + + +# --------------------------------------------------------------------------- +# Tests +# --------------------------------------------------------------------------- + + +class TestBuildSolution: + """Verify that build_water_composition returns the expected results across databases.""" + + def test_solution_state(self, solution_result): + """Solution-state properties should match the stored reference.""" + result, reference, db = solution_result + for key in SOLUTION_STATE_KEYS: + ref_val = reference["solution_state"][key]["value"] + act_val = result["solution_state"][key]["value"] + assert act_val == _approx(ref_val), f"{db}: solution_state[{key}] mismatch" + + def test_scaling_tendencies(self, solution_result): + """Scaling tendency values should match the stored reference.""" + result, reference, db = solution_result + for phase, ref_data in reference["scaling_tendencies"].items(): + assert phase in result["scaling_tendencies"], f"{db}: missing phase {phase}" + if phase == "max": + assert ( + result["scaling_tendencies"]["max"]["scalant"] + == ref_data["scalant"] + ), f"{db}: max scalant mismatch" + assert result["scaling_tendencies"]["max"]["value"] == _approx( + ref_data["value"] + ), f"{db}: max ST value mismatch" + else: + assert result["scaling_tendencies"][phase]["value"] == _approx( + ref_data["value"] + ), f"{db}: ST[{phase}] mismatch" + + def test_composition_elements(self, solution_result): + """Elemental composition should match the stored reference.""" + result, reference, db = solution_result + ref_elements = reference["composition"]["elements"] + act_elements = result["composition"]["elements"] + for element, ref_data in ref_elements.items(): + assert element in act_elements, f"{db}: missing element {element}" + assert act_elements[element]["mols"] == _approx( + ref_data["mols"] + ), f"{db}: element {element} mols mismatch" From f86833c6ea6f7083e684f059fcdc60f674a04cd0 Mon Sep 17 00:00:00 2001 From: avdudchenko <33663878+avdudchenko@users.noreply.github.com> Date: Mon, 23 Mar 2026 00:36:29 -0400 Subject: [PATCH 02/14] testes and fixes and linux so --- .github/workflows/checks.yml | 2 +- README.md | 175 ++ README.txt | 29 - src/phreeqcinwt/core/solution_state_utils.py | 25 +- .../examples/simple_vapor_pressure_comp.py | 63 +- .../phreeqc_com/3_8_6-1700/libIPhreeqc.so | 0 .../phreeqc_com/3_8_6-1700/libIPhreeqc.so.3 | 0 .../3_8_6-1700/libIPhreeqc.so.3.8.6 | Bin 0 -> 3787896 bytes src/phreeqcinwt/phreeqc_wt_api.py | 10 +- src/phreeqcinwt/tests/generate_test_data.py | 96 +- .../tests/test_data/llnl_form_phases.json | 14 + src/phreeqcinwt/tests/test_data/llnl_mix.json | 1526 +++++++++++++++++ .../tests/test_data/llnl_reaction.json | 73 + .../tests/test_data/llnl_vapor_pressure.json | 378 ++++ .../tests/test_data/minteq_form_phases.json | 14 + .../tests/test_data/minteq_mix.json | 764 +++++++++ .../tests/test_data/minteq_reaction.json | 73 + .../test_data/minteq_v4_form_phases.json | 14 + .../tests/test_data/minteq_v4_mix.json | 782 +++++++++ .../tests/test_data/minteq_v4_reaction.json | 73 + .../test_data/minteq_v4_vapor_pressure.json | 66 + .../test_data/minteq_vapor_pressure.json | 58 + .../tests/test_data/phreeqc_form_phases.json | 14 + .../tests/test_data/phreeqc_mix.json | 762 ++++++++ .../tests/test_data/phreeqc_reaction.json | 73 + .../test_data/phreeqc_vapor_pressure.json | 58 + .../tests/test_data/pitzer_form_phases.json | 14 + .../tests/test_data/pitzer_mix.json | 574 +++++++ .../tests/test_data/pitzer_reaction.json | 73 + .../test_data/pitzer_vapor_pressure.json | 34 + .../tests/test_data/wateq4f_form_phases.json | 14 + .../tests/test_data/wateq4f_mix.json | 808 +++++++++ .../tests/test_data/wateq4f_reaction.json | 73 + .../test_data/wateq4f_vapor_pressure.json | 38 + src/phreeqcinwt/tests/test_solution_build.py | 206 ++- 35 files changed, 6879 insertions(+), 97 deletions(-) create mode 100644 README.md delete mode 100644 README.txt create mode 100644 src/phreeqcinwt/phreeqc_com/3_8_6-1700/libIPhreeqc.so create mode 100644 src/phreeqcinwt/phreeqc_com/3_8_6-1700/libIPhreeqc.so.3 create mode 100644 src/phreeqcinwt/phreeqc_com/3_8_6-1700/libIPhreeqc.so.3.8.6 create mode 100644 src/phreeqcinwt/tests/test_data/llnl_form_phases.json create mode 100644 src/phreeqcinwt/tests/test_data/llnl_mix.json create mode 100644 src/phreeqcinwt/tests/test_data/llnl_reaction.json create mode 100644 src/phreeqcinwt/tests/test_data/llnl_vapor_pressure.json create mode 100644 src/phreeqcinwt/tests/test_data/minteq_form_phases.json create mode 100644 src/phreeqcinwt/tests/test_data/minteq_mix.json create mode 100644 src/phreeqcinwt/tests/test_data/minteq_reaction.json create mode 100644 src/phreeqcinwt/tests/test_data/minteq_v4_form_phases.json create mode 100644 src/phreeqcinwt/tests/test_data/minteq_v4_mix.json create mode 100644 src/phreeqcinwt/tests/test_data/minteq_v4_reaction.json create mode 100644 src/phreeqcinwt/tests/test_data/minteq_v4_vapor_pressure.json create mode 100644 src/phreeqcinwt/tests/test_data/minteq_vapor_pressure.json create mode 100644 src/phreeqcinwt/tests/test_data/phreeqc_form_phases.json create mode 100644 src/phreeqcinwt/tests/test_data/phreeqc_mix.json create mode 100644 src/phreeqcinwt/tests/test_data/phreeqc_reaction.json create mode 100644 src/phreeqcinwt/tests/test_data/phreeqc_vapor_pressure.json create mode 100644 src/phreeqcinwt/tests/test_data/pitzer_form_phases.json create mode 100644 src/phreeqcinwt/tests/test_data/pitzer_mix.json create mode 100644 src/phreeqcinwt/tests/test_data/pitzer_reaction.json create mode 100644 src/phreeqcinwt/tests/test_data/pitzer_vapor_pressure.json create mode 100644 src/phreeqcinwt/tests/test_data/wateq4f_form_phases.json create mode 100644 src/phreeqcinwt/tests/test_data/wateq4f_mix.json create mode 100644 src/phreeqcinwt/tests/test_data/wateq4f_reaction.json create mode 100644 src/phreeqcinwt/tests/test_data/wateq4f_vapor_pressure.json diff --git a/.github/workflows/checks.yml b/.github/workflows/checks.yml index efc9684..1065f6f 100644 --- a/.github/workflows/checks.yml +++ b/.github/workflows/checks.yml @@ -56,7 +56,7 @@ jobs: - '3.12' - '3.13' os: - # - linux + - linux # - mac - win64 include: diff --git a/README.md b/README.md new file mode 100644 index 0000000..76e2672 --- /dev/null +++ b/README.md @@ -0,0 +1,175 @@ +# phreeqcinwt + +A Python wrapper around [PHREEQC](https://www.usgs.gov/software/phreeqc-version-3) (via [phreeqpy](https://www.phreeqpy.com/)) for aqueous geochemistry modeling in water treatment applications. + +**Key capabilities:** + +- Build water compositions and compute solution properties (density, ionic strength, TDS, conductivity, osmotic pressure) +- Predict mineral scaling tendencies (saturation indices) +- Perform pH adjustment and chemical dosing simulations +- Calculate vapor pressures (gas-phase fugacities) +- Simulate mineral precipitation (form phases) +- Mix solutions at arbitrary ratios +- Compare results across multiple thermodynamic databases + +## Prerequisites + +- **Windows** (PHREEQC COM DLL; Linux/Mac support is aspirational) +- **PHREEQC** — install the COM module (32-bit and 64-bit) from the USGS: + +- **Conda** (recommended) or any Python 3.10–3.13 environment + +## Installation + +### Option A — Conda environment (recommended) + +Create a dedicated environment with all dependencies: + +```bash +conda env create -f phreeqcinwt.yml +conda activate phreeqcinwt +pip install -e . +``` + +To update an existing environment: + +```bash +conda env update -n phreeqcinwt --file phreeqcinwt.yml +``` + +Or install into a different conda environment: + +```bash +conda env update -n YOUR_ENV --file phreeqcinwt.yml +``` + +### Option B — pip only + +```bash +pip install -e . +``` + +Dependencies (`numpy`, `pyyaml`, `molmass`, `phreeqpy`) are installed automatically. + +## Bundled databases + +The following PHREEQC databases are included in `databases/`: + +| Database | Description | +|---|---| +| `phreeqc.dat` | Standard PHREEQC database | +| `pitzer.dat` | Pitzer ion-interaction model (high ionic strength) | +| `llnl.dat` | Lawrence Livermore National Laboratory database | +| `minteq.dat` | MINTEQA2 database | +| `minteq.v4.dat` | MINTEQA2 v4 database | +| `wateq4f.dat` | WATEQ4F database | +| `sit.dat` | Specific Ion Interaction Theory | +| `pitzer.dat` | Pitzer model | +| `frezchem.dat` | Cold-region geochemistry | +| `Amm.dat` | Ammonia-focused database | + +## Quick start + +```python +from phreeqcinwt.phreeqc_wt_api import phreeqcWTapi + +# Initialize with a thermodynamic database +wt = phreeqcWTapi(database="phreeqc.dat") + +# Define a water composition (values in g/L) +composition = { + "Na": 0.739, + "K": 0.009, + "Ca": 0.258, + "Mg": 0.090, + "Cl": 1.109, + "HCO3": 0.385, + "SO4": 1.011, +} + +# Build the solution +result = wt.build_water_composition( + input_composition=composition, + charge_balance="Cl", + pH=7, + pe=4, + units="g/L", + pressure=1, + temperature=20, +) + +# Inspect the solution state +state = wt.get_solution_state(report=True) +``` + +### pH adjustment + +```python +titrant = wt.perform_reaction( + ph_adjust={"pH": 5.0, "reactant": "HCl"}, + pressure=1, + report=True, +) +# titrant["HCl"]["value"] gives the required dose in mg/kgw +``` + +### Scaling tendencies + +Scaling tendencies (saturation indices) are returned automatically in the +`build_water_composition` result: + +```python +result["scaling_tendencies"] +# {"Calcite": {"value": 0.46, ...}, "Gypsum": {"value": -0.53, ...}, ...} +``` + +### Mineral precipitation + +```python +precipitated = wt.form_phases( + phases=["Calcite", "Gypsum", "Aragonite"], + report=True, +) +# precipitated["Calcite"]["value"] gives moles precipitated per kgw +``` + +### Vapor pressure + +```python +vp = wt.get_vapor_pressure(report=True) +# vp["H2O(g)"]["value"] -> partial pressure in atm +# vp["total_fugacity"]["value"] -> total vapor pressure in atm +``` + +### Mixing solutions + +```python +wt = phreeqcWTapi(database="pitzer.dat") + +wt.build_water_composition( + input_composition=water_a, + charge_balance="Cl", pH=7, pe=4, + units="g/kgw", pressure=1, temperature=20, + solution_number=1, water_mass=0.75, +) +wt.build_water_composition( + input_composition=water_b, + charge_balance="Cl", pH=8, pe=4, + units="g/kgw", pressure=1, temperature=20, + solution_number=2, water_mass=0.25, +) + +wt.mix_solutions({1: 1, 2: 1}, new_solution_number=3) +mixed_state = wt.get_solution_state(report=True) +``` + +## Testing + +```bash +pytest --pyargs phreeqcinwt +``` + +## Additional examples + +See the `examples/` directory for more usage patterns including treatment trains, +database comparisons, density calculations, and osmotic pressure estimation. \ No newline at end of file diff --git a/README.txt b/README.txt deleted file mode 100644 index b849627..0000000 --- a/README.txt +++ /dev/null @@ -1,29 +0,0 @@ -# phreeqcinwt -This is a module for useing phreeqc to model chemistry with focus on water treatment applications -The module uses phreeqpy to communicate with phreeqc and requies you to install phreeqpy first as well as phreeqc https://www.phreeqpy.com/ - -Installation - install phreeqc COM module (32 and 64 bit) - follow instructions from: - - https://water.usgs.gov/water-resources/software/PHREEQC/index.html - - install conda - - in cmd execute: - - conda env create -f phreeqcinwt.yml - - this will create hms_model_tools environment and setup all our dependencies. - -to update: - - conda env update -n phreeqcinwt --f phreeqcinwt.yml - -to install into a different conda env: - - conda env update -n YOUR_ENV --file phreeqcinwt.yml - -Cd to module directory and run python setup.py develop -place databases you want to use into phreeqcinwt/databases folder - -for example usages look in to phreeqcinwt/examples \ No newline at end of file diff --git a/src/phreeqcinwt/core/solution_state_utils.py b/src/phreeqcinwt/core/solution_state_utils.py index 65abcbe..7dc8222 100644 --- a/src/phreeqcinwt/core/solution_state_utils.py +++ b/src/phreeqcinwt/core/solution_state_utils.py @@ -11,15 +11,22 @@ def _process_activities(self, result): activities = {} for element, name in self.return_dict.items(): idx = np.where("la_" + element == np.array(result[0]))[0] - # print(idx, "la_" + element) - activities[element] = { - "value": 10 ** result[1][idx[0]], - "units": "dimensionless", - } - activities["log10_{}".format(element)] = { - "value": result[1][idx[0]], - "units": "dimensionless", - } + print(idx, "la_" + element) + if len(idx) > 0: + activities[element] = { + "value": 10 ** result[1][idx[0]], + "units": "dimensionless", + } + activities["log10_{}".format(element)] = { + "value": result[1][idx[0]], + "units": "dimensionless", + } + else: + activities[element] = {"value": None, "units": "dimensionless"} + activities["log10_{}".format(element)] = { + "value": None, + "units": "dimensionless", + } idx = np.where("la_H2O" == np.array(result[0]))[0] # print(idx) activities["H2O"] = {"value": 10 ** result[1][idx[0]], "units": "dimensionless"} diff --git a/src/phreeqcinwt/examples/simple_vapor_pressure_comp.py b/src/phreeqcinwt/examples/simple_vapor_pressure_comp.py index ef119f4..a7b5e6f 100644 --- a/src/phreeqcinwt/examples/simple_vapor_pressure_comp.py +++ b/src/phreeqcinwt/examples/simple_vapor_pressure_comp.py @@ -6,15 +6,6 @@ def antoin_vapor_pressure(temp): if __name__ == "__main__": - phreeqcWT_all_gasses = phreeqcWTapi( - database="pitzer.dat", - ignore_phase_list=[ - "Dolomite", - "Magnesite", - "Huntite", - "Goergeyite", - ], - ) phreeqcWT_selected_gasses = phreeqcWTapi( database="pitzer.dat", ignore_phase_list=[ @@ -23,35 +14,20 @@ def antoin_vapor_pressure(temp): "Huntite", "Goergeyite", ], - ignore_gas_phase_list=["CO2(g)"], + # ignore_gas_phase_list=["CO2(g)"], track_gas_phase_list=["H2O(g)"], ) - # phreeqcWT = phreeqcWTapi(database="phreeqc.dat") - # phreeqcWT = phreeqcWTapi(database="minteq.v4.dat") - # basic brackish water + input_composition = { "Na": 0.5, - "K": 0, "Cl": 0.5, - "Ca": 0.0, - "Mg": 0.0, "HCO3": 0.3805, - "SO4": 0, # "C": 0.258, # "C": {"value": 0.385, "compound": "HCO3-"}, # "Alkalinity": {"value": 0.381, "compound": "HCO3-"}, } - phreeqcWT_all_gasses.build_water_composition( - input_composition=input_composition, - charge_balance="Cl", - pH=7, - pe=0, - units="g/kgw", - pressure=1, - temperature=20, - assume_alkalinity=True, - ) + # phreeqcWT_selected_gasses.build_water_composition( input_composition=input_composition, charge_balance="Cl", @@ -64,22 +40,19 @@ def antoin_vapor_pressure(temp): ) temps = [20, 40, 60, 80, 99] for t in temps: - print("all gasses") - phreeqcWT_all_gasses.perform_reaction(temperature=t) - vapor_pressure = phreeqcWT_all_gasses.get_vapor_pressure(report=True) - print("selected gasses") + phreeqcWT_selected_gasses.perform_reaction(temperature=t) vapor_pressure = phreeqcWT_selected_gasses.get_vapor_pressure(report=True) - print(vapor_pressure) - # ant_vp = antoin_vapor_pressure(t) - # print( - # "temp (C)", - # t, - # "Phreeqc total P(atm)", - # round(vapor_pressure["total_fugacity"]["value"], 4), - # "Phreeqc H2O only P(atm)", - # round(vapor_pressure["H2O(g)"]["value"], 4), - # "Antoin P(atm)", - # round(ant_vp, 4), - # "diff H2O Only (%)", - # (vapor_pressure["H2O(g)"]["value"] - ant_vp) / ant_vp * 100, - # ) + + ant_vp = antoin_vapor_pressure(t) + print( + "temp (C)", + t, + "Phreeqc total P(atm)", + round(vapor_pressure["total_fugacity"]["value"], 4), + "Phreeqc H2O only P(atm)", + round(vapor_pressure["H2O(g)"]["value"], 4), + "Antoin P(atm)", + round(ant_vp, 4), + "diff H2O Only (%)", + (vapor_pressure["H2O(g)"]["value"] - ant_vp) / ant_vp * 100, + ) diff --git a/src/phreeqcinwt/phreeqc_com/3_8_6-1700/libIPhreeqc.so b/src/phreeqcinwt/phreeqc_com/3_8_6-1700/libIPhreeqc.so new file mode 100644 index 0000000..e69de29 diff --git a/src/phreeqcinwt/phreeqc_com/3_8_6-1700/libIPhreeqc.so.3 b/src/phreeqcinwt/phreeqc_com/3_8_6-1700/libIPhreeqc.so.3 new file mode 100644 index 0000000..e69de29 diff --git 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