Binary Distillation Column Simulator

First-Principles Steady-State Model (CMO)

1. Purpose

This package contains a from-scratch implementation of a steady-state binary distillation column model developed using first-principles mass, equilibrium, summation, and energy (MESH) equations under Constant Molar Overflow (CMO) assumptions. The working system modeled is benzene–toluene.

2. Contents of the ZIP File

After unzipping, the folder should contain:

thermodynamics.py          # Antoine equation, bubble point, dew point, mixture enthalpy
solver.py                  # Newton–Raphson solver, Jacobian construction
binary_dist_column_CMO.py  # Column MESH equations, flow calculations, column profile
analysis.py                # Sensitivity, optimization, equipment/operational diagnostics
model.py                   # Main execution script
requirements.txt           # Python dependencies
generated_figures/         # Auto-generated plots
README.md                  # This file

No additional data files are required.

3. Software Requirements

Recommended:

• Python version: 3.12.12
• Required Python packages:
  • NumPy (2.0.2)
  • SciPy (1.16.3)
  • Matplotlib (3.10.0)

Minimum required:

• Python version: 3.9 or newer
• Required Python packages:
  • NumPy (1.23.0)
  • SciPy (1.9.0)
  • Matplotlib (3.6.0)

4. Installation Instructions

1. Unzip the files to any local directory.

2. Install required packages:

   pip install -r requirements.txt

5. Running the Model

From the unzipped directory, run:

python model.py

This script:

• Generates the VLE diagram
• Solves the steady-state distillation column
• Performs degradation, sensitivity, optimization, and upset condition analyses
• Displays and saves plots automatically

All figures are saved to the folder generated_figures/ with timestamps.

6. Key Outputs

The model computes and reports:

• Distillate benzene purity (xD)

• Bottoms toluene purity (1-xB)

• Condenser heat duty (QC)

• Reboiler heat duty (QB)

• Tray temperature and composition profiles

• Sensitivity trends with respect to:

  • Reflux ratio
  • Feed stage location
  • Feed quality (q)

• Operating envelope and disturbance response

7. Modeling Assumptions

• Binary system (benzene–toluene)
• Steady-state operation
• Constant molar overflow
• Ideal VLE (Raoult’s law)
• No pressure drop
• Murphree vapor-phase tray efficiency