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CusiniMyue-2018Francois Hamon
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Add energy balance equation to Compositional solver. (#1225)
* Initial commit * thermalKernels * Assembly up to accumulation is done. * Added all views. Modified input for FluxKernels. * done kernels and solver. * FluidModels: added enthalpy and internalEnergy * Enthalpy and Internal energy functions * dummy functions and derivatives for enthalpy and internalEnergy. * fixed comp errors for const. model. * Fixed some errors. * missing only intEnergy for solid material. * down to 1 linking error. * Finally builds. * bug fix. * xml file * added CO2 and brine enthalpy functions * Post merge fixes. Mainly fixing the strings. * removed old files not compiled * additional fix * added thermal accumulation and volume balance in the new style * Merge branch 'develop' into feature/addEnergyBalance * implemented thermal flux kernel in the new style * some cleanup in the kernels * added conduction term * implemented temperature BC * removed unused variable * various fixes * first working version * added integrated test; made ready for review * passing unit test for thermal compositional * start addressing Matteo's comments * passing all integrated tests * removed enum string in CO2-brine fluid * addressed Sergey's comments Co-authored-by: Yue Hao <hao1@llnl.gov> Co-authored-by: Francois Hamon <francois.hamon@totalenergies.com>
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‎inputFiles/thermalMultiphaseFlow/co2_thermal_2d.xml‎

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<?xml version="1.0" ?>
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<Problem>
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<Solvers>
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<CompositionalMultiphaseFVM
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name="compflow"
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logLevel="1"
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discretization="fluidTPFA"
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temperature="368.15"
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useMass="1"
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isThermal="1"
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initialDt="1e3"
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maxCompFractionChange="0.5"
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targetRegions="{ region }">
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<NonlinearSolverParameters
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newtonTol="1.0e-6"
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newtonMaxIter="100"
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lineSearchAction="None"
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maxTimeStepCuts="5"/>
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<LinearSolverParameters
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directParallel="0"/>
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</CompositionalMultiphaseFVM>
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</Solvers>
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<Mesh>
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<InternalMesh
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name="mesh1"
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elementTypes="{ C3D8 }"
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xCoords="{ 0, 100 }"
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yCoords="{ 0, 100 }"
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zCoords="{ 0, 1 }"
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nx="{ 10 }"
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ny="{ 10 }"
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nz="{ 1 }"
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cellBlockNames="{ cb }"/>
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</Mesh>
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<Geometry>
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<Box
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name="sink"
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xMin="{ 89.99, 89.99, -0.01 }"
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xMax="{ 101.01, 101.01, 1.01 }"/>
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<Box
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name="source"
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xMin="{ -0.01, -0.01, -0.01 }"
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xMax="{ 10.01, 10.01, 1.01 }"/>
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</Geometry>
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<Events
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maxTime="1.5e5">
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<PeriodicEvent
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name="outputs"
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timeFrequency="2.5e4"
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target="/Outputs/vtkOutput"/>
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<PeriodicEvent
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name="solverApplications"
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maxEventDt="2.5e4"
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target="/Solvers/compflow"/>
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<PeriodicEvent
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name="restarts"
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timeFrequency="7.5e4"
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target="/Outputs/sidreRestart"/>
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</Events>
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<NumericalMethods>
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<FiniteVolume>
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<TwoPointFluxApproximation
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name="fluidTPFA"/>
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</FiniteVolume>
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</NumericalMethods>
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<ElementRegions>
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<CellElementRegion
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name="region"
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cellBlocks="{ cb }"
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materialList="{ fluid, rock, relperm, thermalCond }"/>
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</ElementRegions>
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<Constitutive>
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<CompressibleSolidConstantPermeability
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name="rock"
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solidModelName="nullSolid"
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porosityModelName="rockPorosity"
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permeabilityModelName="rockPerm"
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solidInternalEnergyModelName="rockInternalEnergy"/>
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<NullModel
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name="nullSolid"/>
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<PressurePorosity
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name="rockPorosity"
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defaultReferencePorosity="0.2"
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referencePressure="0.0"
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compressibility="1.0e-9"/>
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<SolidInternalEnergy
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name="rockInternalEnergy"
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volumetricHeatCapacity="1.95e6"
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referenceTemperature="368.15"
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referenceInternalEnergy="0"/>
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<ConstantPermeability
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name="rockPerm"
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permeabilityComponents="{ 1.0e-13, 1.0e-13, 1.0e-13 }"/>
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<CO2BrinePhillipsThermalFluid
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name="fluid"
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phaseNames="{ gas, water }"
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componentNames="{ co2, water }"
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componentMolarWeight="{ 44e-3, 18e-3 }"
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phasePVTParaFiles="{ pvtgas.txt, pvtliquid.txt }"
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flashModelParaFile="co2flash.txt"/>
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<BrooksCoreyRelativePermeability
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name="relperm"
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phaseNames="{ gas, water }"
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phaseMinVolumeFraction="{ 0.0, 0.0 }"
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phaseRelPermExponent="{ 1.5, 1.5 }"
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phaseRelPermMaxValue="{ 0.9, 0.9 }"/>
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<ConstantThermalConductivity
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name="thermalCond"
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phaseNames="{ gas, water }"
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thermalConductivityComponents="{ 0.6, 0.6, 0.6 }"/>
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</Constitutive>
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<FieldSpecifications>
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<FieldSpecification
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name="initialPressure"
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initialCondition="1"
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setNames="{ all }"
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objectPath="ElementRegions/region/cb"
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fieldName="pressure"
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scale="9e6"/>
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<FieldSpecification
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name="initialTemperature"
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initialCondition="1"
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setNames="{ all }"
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objectPath="ElementRegions/region/cb"
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fieldName="temperature"
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scale="368.15"/>
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<FieldSpecification
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name="initialComposition_co2"
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initialCondition="1"
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setNames="{ all }"
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objectPath="ElementRegions/region/cb"
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fieldName="globalCompFraction"
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component="0"
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scale="0.005"/>
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<FieldSpecification
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name="initialComposition_water"
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initialCondition="1"
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setNames="{ all }"
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objectPath="ElementRegions/region/cb"
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fieldName="globalCompFraction"
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component="1"
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scale="0.995"/>
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<FieldSpecification
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name="sinkPressure"
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setNames="{ sink }"
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objectPath="ElementRegions/region/cb"
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fieldName="pressure"
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scale="7e6"/>
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<FieldSpecification
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name="sinkTemperature"
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setNames="{ sink }"
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objectPath="ElementRegions/region/cb"
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fieldName="temperature"
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scale="368.15"/>
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<FieldSpecification
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name="sinkTermComposition_co2"
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setNames="{ sink }"
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objectPath="ElementRegions/region/cb"
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fieldName="globalCompFraction"
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component="0"
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scale="0.005"/>
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<FieldSpecification
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name="sinkTermComposition_water"
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setNames="{ sink }"
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objectPath="ElementRegions/region/cb"
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fieldName="globalCompFraction"
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component="1"
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scale="0.995"/>
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<FieldSpecification
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name="sourcePressure"
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setNames="{ source }"
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objectPath="ElementRegions/region/cb"
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fieldName="pressure"
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scale="1.45e7"/>
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<FieldSpecification
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name="sourceTemperature"
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setNames="{ source }"
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objectPath="ElementRegions/region/cb"
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fieldName="temperature"
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scale="300.15"/>
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<FieldSpecification
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name="sourceTermComposition_co2"
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setNames="{ source }"
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objectPath="ElementRegions/region/cb"
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fieldName="globalCompFraction"
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component="0"
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scale="0.995"/>
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<FieldSpecification
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name="sourceTermComposition_water"
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setNames="{ source }"
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objectPath="ElementRegions/region/cb"
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fieldName="globalCompFraction"
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component="1"
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scale="0.005"/>
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</FieldSpecifications>
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<Outputs>
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<VTK
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name="vtkOutput"/>
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<Restart
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name="sidreRestart"/>
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</Outputs>
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</Problem>

‎inputFiles/thermalMultiphaseFlow/co2flash.txt‎

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FlashModel CO2Solubility 1e6 7.5e7 5e5 299.15 369.15 10 0

‎inputFiles/thermalMultiphaseFlow/pvtgas.txt‎

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DensityFun SpanWagnerCO2Density 1e6 7.5e7 5e5 299.15 369.15 10
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ViscosityFun FenghourCO2Viscosity 1e6 7.5e7 5e5 299.15 369.15 10
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EnthalpyFun CO2Enthalpy 1e6 7.5e7 5e5 299.15 369.15 10

‎inputFiles/thermalMultiphaseFlow/pvtliquid.txt‎

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DensityFun PhillipsBrineDensity 1e6 7.5e7 5e5 299.15 369.15 10 0
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ViscosityFun PhillipsBrineViscosity 0
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EnthalpyFun BrineEnthalpy 1e6 7.5e7 5e5 299.15 369.15 10 0

‎integratedTests‎

‎src/coreComponents/constitutive/fluid/CO2BrineFluid.cpp‎

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@@ -185,7 +185,7 @@ void CO2BrineFluid< PHASE1, PHASE2, FLASH >::createPVTModels()
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{
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string_array const strs = stringutilities::tokenize( str, " " );
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if( strs[0] == toString( SubModelInputNames::DENSITY ) )
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if( strs[0] == "DensityFun" )
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{
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if( strs[1] == PHASE1::Density::catalogName() )
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{
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phase2InputParams[PHASE2::InputParamOrder::DENSITY] = strs;
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}
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}
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else if( strs[0] == toString( SubModelInputNames::VISCOSITY ) )
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else if( strs[0] == "ViscosityFun" )
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{
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if( strs[1] == PHASE1::Viscosity::catalogName() )
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{
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phase2InputParams[PHASE2::InputParamOrder::VISCOSITY] = strs;
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}
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}
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else if( strs[0] == toString( SubModelInputNames::ENTHALPY ) )
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else if( strs[0] == "EnthalpyFun" )
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{
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if( strs[1] == PHASE1::Enthalpy::catalogName() )
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{

‎src/coreComponents/constitutive/fluid/CO2BrineFluid.hpp‎

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@@ -569,25 +569,6 @@ CO2BrineFluid< PHASE1, PHASE2, FLASH >::KernelWrapper::
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m_totalDensity( k, q ) );
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}
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572-
/// Declare strings associated with enumeration values
573-
/// Needed for now, because we don't use the catalogNames for input (yet)
574-
ENUM_STRINGS( CO2BrinePhillipsFluid::SubModelInputNames,
575-
"DensityFun",
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"ViscosityFun",
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"EnthalpyFun" );
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ENUM_STRINGS( CO2BrinePhillipsThermalFluid::SubModelInputNames,
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"DensityFun",
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"ViscosityFun",
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"EnthalpyFun" );
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ENUM_STRINGS( CO2BrineEzrokhiFluid::SubModelInputNames,
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"DensityFun",
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"ViscosityFun",
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"EnthalpyFun" );
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ENUM_STRINGS( CO2BrineEzrokhiThermalFluid::SubModelInputNames,
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"DensityFun",
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"ViscosityFun",
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"EnthalpyFun" );
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} // namespace constitutive
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‎src/coreComponents/constitutive/fluid/MultiFluidExtrinsicData.hpp‎

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0,
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NOPLOT,
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NO_WRITE,
159-
"Derivative of phase internal energy with respect to pressure, temperature, and global component fraction" );
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"Derivative of phase internal energy with respect to pressure, temperature, and global component fractions" );
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EXTRINSIC_MESH_DATA_TRAIT( phaseCompFraction,
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"phaseCompFraction",

‎src/coreComponents/constitutive/fluid/multiFluidSelector.hpp‎

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@@ -44,7 +44,10 @@ void constitutiveUpdatePassThru( MultiFluidBase const & fluid,
4444
CompositionalMultiphaseFluid,
4545
#endif
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CO2BrinePhillipsFluid,
47-
CO2BrineEzrokhiFluid >::execute( fluid, std::forward< LAMBDA >( lambda ) );
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CO2BrineEzrokhiFluid,
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CO2BrinePhillipsThermalFluid /*, // if I uncomment the two models at the same time, the compiler segfaults on
49+
Lassen!
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CO2BrineEzrokhiThermalFluid*/>::execute( fluid, std::forward< LAMBDA >( lambda ) );
4851
}
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5053
template< typename LAMBDA >
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CompositionalMultiphaseFluid,
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#endif
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CO2BrinePhillipsFluid,
60-
CO2BrineEzrokhiFluid >::execute( fluid, std::forward< LAMBDA >( lambda ) );
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CO2BrineEzrokhiFluid,
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CO2BrinePhillipsThermalFluid /*, // if I uncomment the two models at the same time, the compiler segfaults on
65+
Lassen!
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CO2BrineEzrokhiThermalFluid*/>::execute( fluid, std::forward< LAMBDA >( lambda ) );
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}
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} // namespace constitutive

‎src/coreComponents/constitutive/solid/SolidInternalEnergy.cpp‎

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ConstitutiveBase( name, parent ),
3131
m_internalEnergy(),
3232
m_dInternalEnergy_dTemperature(),
33-
m_specificHeatCapacity(),
33+
m_volumetricHeatCapacity(),
3434
m_referenceTemperature(),
3535
m_referenceInternalEnergy()
3636
{
3737
registerWrapper( viewKeyStruct::internalEnergyString(), &m_internalEnergy ).
3838
setPlotLevel( PlotLevel::LEVEL_0 ).
3939
setApplyDefaultValue( 0.0 ).
40-
setDescription( "Internal energy of the solid" );
40+
setDescription( "Internal energy of the solid per unit volume [J/m^3]" );
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4242
registerWrapper( viewKeyStruct::oldInternalEnergyString(), &m_oldInternalEnergy ).
4343
setApplyDefaultValue( 0.0 ).
44-
setDescription( "Internal energy of the solid at the previous time-step" );
44+
setDescription( "Internal energy of the solid per unit volume at the previous time-step [J/m^3]" );
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4646
registerWrapper( viewKeyStruct::dInternalEnergy_dTemperatureString(), &m_dInternalEnergy_dTemperature ).
4747
setApplyDefaultValue( 0.0 ).
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setDescription( "Derivative of the solid internal energy w.r.t. temperature" );
48+
setDescription( "Derivative of the solid internal energy w.r.t. temperature [J/(m^3.K)]" );
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50-
registerWrapper( viewKeyStruct::specificHeatCapacityString(), &m_specificHeatCapacity ).
51-
setApplyDefaultValue( 0.0 ).
52-
setDescription( "Solid specific heat capacity" );
50+
registerWrapper( viewKeyStruct::volumetricHeatCapacityString(), &m_volumetricHeatCapacity ).
51+
setInputFlag( InputFlags::REQUIRED ).
52+
setDescription( "Solid volumetric heat capacity [J/(kg.K)]" );
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5454
registerWrapper( viewKeyStruct::referenceTemperatureString(), &m_referenceTemperature ).
55-
setApplyDefaultValue( 0.0 ).
56-
setDescription( "Reference temperature" );
55+
setInputFlag( InputFlags::REQUIRED ).
56+
setDescription( "Reference temperature [K]" );
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5858
registerWrapper( viewKeyStruct::referenceInternalEnergyString(), &m_referenceInternalEnergy ).
59-
setApplyDefaultValue( 0.0 ).
60-
setDescription( "Internal energy at the reference temperature" );
59+
setInputFlag( InputFlags::REQUIRED ).
60+
setDescription( "Internal energy at the reference temperature [J/kg]" );
6161
}
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6363
void SolidInternalEnergy::allocateConstitutiveData( Group & parent,
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8181
} );
8282
}
8383

84-
}
84+
REGISTER_CATALOG_ENTRY( ConstitutiveBase, SolidInternalEnergy, string const &, Group * const )
8585

86-
}
86+
} /* namespace constitutive */
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88+
} /* namespace geosx */

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