From 095054d82ec0fb0245fe93aa960a51589e546f98 Mon Sep 17 00:00:00 2001 From: Henry Weller Date: Mon, 26 Oct 2020 20:57:01 +0000 Subject: [PATCH] applications/solvers/combustion: Moved the inertSpecie functionality into basicSpecieMixture and renamed defaultSpecie as its mass fraction is derived from the sum of the mass fractions of all other species and it need not be inert but must be present everywhere, e.g. N2 in air/fuel combustion which can be involved in the production of NOx. The previous name inertSpecie in thermophysicalProperties is supported for backward compatibility. --- .../solvers/combustion/fireFoam/YEEqn.H | 9 +- .../combustion/fireFoam/createFieldRefs.H | 1 - .../combustion/fireFoam/createFields.H | 9 -- .../solvers/combustion/reactingFoam/YEqn.H | 9 +- .../buoyantReactingFoam/createFieldRefs.H | 1 - .../buoyantReactingFoam/createFields.H | 9 -- .../combustion/reactingFoam/createFieldRefs.H | 1 - .../combustion/reactingFoam/createFields.H | 9 -- .../combustion/reactingFoam/setRDeltaT.H | 2 +- .../chtMultiRegionFoam/fluid/YEqn.H | 26 +---- .../fluid/setRegionFluidFields.H | 15 --- .../lagrangian/reactingParticleFoam/YEqn.H | 26 +---- .../reactingParticleFoam/createFieldRefs.H | 15 --- .../simpleReactingParticleFoam/YEqn.H | 9 +- .../createFieldRefs.H | 1 - .../simpleReactingParticleFoam/createFields.H | 9 -- .../MultiComponentPhaseModel.C | 52 +-------- .../MultiComponentPhaseModel.H | 3 - .../singleStepCombustion.C | 7 +- .../singleStepCombustion.H | 6 -- .../singleStepCombustionI.H | 7 -- .../basicSpecieMixture/basicSpecieMixture.C | 100 +++++++++++++++++- .../basicSpecieMixture/basicSpecieMixture.H | 30 ++++++ .../basicSpecieMixture/basicSpecieMixtureI.H | 12 +++ .../multiComponentMixture.C | 25 ----- .../multiComponentMixture.H | 3 - .../waterAndIsopropanolEvaporation/Allrun | 2 +- .../thermophysicalProperties.gas.orig | 2 +- .../thermophysicalProperties.liquid.orig | 2 +- .../waterEvaporation/Allrun | 2 +- .../thermophysicalProperties.gas.orig | 2 +- .../gri/constant/thermophysicalProperties | 2 + .../h2/constant/thermophysicalProperties | 2 + .../ic8h18/constant/thermophysicalProperties | 2 + .../constant/thermophysicalProperties | 2 + .../nc7h16/constant/thermophysicalProperties | 2 + .../constant/thermophysicalProperties | 2 +- .../constant/thermophysicalProperties | 2 +- .../constant/thermophysicalProperties | 2 +- .../constant/thermophysicalProperties | 2 +- .../constant/thermophysicalProperties | 2 +- .../constant/thermophysicalProperties | 2 +- .../constant/thermophysicalProperties | 2 +- .../constant/thermophysicalProperties | 2 +- .../constant/thermophysicalProperties | 2 +- .../constant/thermophysicalProperties | 2 +- .../constant/thermophysicalProperties | 2 +- .../constant/gas/thermophysicalProperties | 2 +- .../constant/thermophysicalProperties | 2 +- .../constant/thermophysicalProperties | 2 +- .../constant/thermophysicalProperties | 2 +- .../constant/thermophysicalProperties | 2 +- .../constant/thermophysicalProperties | 2 +- .../constant/thermophysicalProperties | 2 +- .../filter/constant/thermophysicalProperties | 2 +- .../constant/thermophysicalProperties | 2 +- .../constant/thermophysicalProperties | 2 +- .../constant/thermophysicalProperties | 2 +- .../constant/thermophysicalProperties | 2 +- .../constant/thermophysicalProperties | 2 +- .../constant/thermophysicalProperties.gas | 2 +- .../constant/thermophysicalProperties.gas | 2 +- .../constant/thermophysicalProperties.liquid | 2 +- .../constant/thermophysicalProperties.gas | 2 +- .../constant/thermophysicalProperties.liquid | 2 +- .../thermophysicalProperties.particles | 2 +- .../constant/thermophysicalProperties.vapor | 2 +- .../thermophysicalProperties.particles | 2 +- .../constant/thermophysicalProperties.vapor | 2 +- 69 files changed, 204 insertions(+), 278 deletions(-) diff --git a/applications/solvers/combustion/fireFoam/YEEqn.H b/applications/solvers/combustion/fireFoam/YEEqn.H index 6726a1964f..f16d6e523a 100644 --- a/applications/solvers/combustion/fireFoam/YEEqn.H +++ b/applications/solvers/combustion/fireFoam/YEEqn.H @@ -11,11 +11,10 @@ tmp> mvConvection { radiation->correct(); combustion->correct(); - volScalarField Yt(0.0*Y[0]); forAll(Y, i) { - if (i != inertIndex && composition.active(i)) + if (composition.solve(i)) { volScalarField& Yi = Y[i]; @@ -38,14 +37,10 @@ tmp> mvConvection YiEqn.solve("Yi"); fvOptions.correct(Yi); - - Yi.max(0.0); - Yt += Yi; } } - Y[inertIndex] = scalar(1) - Yt; - Y[inertIndex].max(0.0); + composition.normalise(); volScalarField& he = thermo.he(); diff --git a/applications/solvers/combustion/fireFoam/createFieldRefs.H b/applications/solvers/combustion/fireFoam/createFieldRefs.H index a911c586d9..af15effbc2 100644 --- a/applications/solvers/combustion/fireFoam/createFieldRefs.H +++ b/applications/solvers/combustion/fireFoam/createFieldRefs.H @@ -1,4 +1,3 @@ const volScalarField& psi = thermo.psi(); const volScalarField& T = thermo.T(); regionModels::surfaceFilmModel& surfaceFilm = tsurfaceFilm(); -const label inertIndex(composition.species()[inertSpecie]); diff --git a/applications/solvers/combustion/fireFoam/createFields.H b/applications/solvers/combustion/fireFoam/createFields.H index 12c5a7ef66..a2bf22df2f 100644 --- a/applications/solvers/combustion/fireFoam/createFields.H +++ b/applications/solvers/combustion/fireFoam/createFields.H @@ -8,15 +8,6 @@ SLGThermo slgThermo(mesh, thermo); basicSpecieMixture& composition = thermo.composition(); PtrList& Y = composition.Y(); -const word inertSpecie(thermo.properties().lookup("inertSpecie")); -if (!composition.species().found(inertSpecie)) -{ - FatalIOErrorIn(args.executable().c_str(), thermo.properties()) - << "Inert specie " << inertSpecie << " not found in available species " - << composition.species() - << exit(FatalIOError); -} - Info<< "Creating field rho\n" << endl; volScalarField rho ( diff --git a/applications/solvers/combustion/reactingFoam/YEqn.H b/applications/solvers/combustion/reactingFoam/YEqn.H index 8149acd6a0..d8f9453940 100644 --- a/applications/solvers/combustion/reactingFoam/YEqn.H +++ b/applications/solvers/combustion/reactingFoam/YEqn.H @@ -11,11 +11,10 @@ tmp> mvConvection { reaction->correct(); - volScalarField Yt(0.0*Y[0]); forAll(Y, i) { - if (i != inertIndex && composition.active(i)) + if (composition.solve(i)) { volScalarField& Yi = Y[i]; @@ -36,12 +35,8 @@ tmp> mvConvection YiEqn.solve("Yi"); fvOptions.correct(Yi); - - Yi.max(0.0); - Yt += Yi; } } - Y[inertIndex] = scalar(1) - Yt; - Y[inertIndex].max(0.0); + composition.normalise(); } diff --git a/applications/solvers/combustion/reactingFoam/buoyantReactingFoam/createFieldRefs.H b/applications/solvers/combustion/reactingFoam/buoyantReactingFoam/createFieldRefs.H index fdc479bc23..6e1184a1fa 100644 --- a/applications/solvers/combustion/reactingFoam/buoyantReactingFoam/createFieldRefs.H +++ b/applications/solvers/combustion/reactingFoam/buoyantReactingFoam/createFieldRefs.H @@ -1,3 +1,2 @@ const volScalarField& psi = thermo.psi(); const volScalarField& T = thermo.T(); -const label inertIndex(composition.species()[inertSpecie]); diff --git a/applications/solvers/combustion/reactingFoam/buoyantReactingFoam/createFields.H b/applications/solvers/combustion/reactingFoam/buoyantReactingFoam/createFields.H index a2457c3ea2..1588e48139 100644 --- a/applications/solvers/combustion/reactingFoam/buoyantReactingFoam/createFields.H +++ b/applications/solvers/combustion/reactingFoam/buoyantReactingFoam/createFields.H @@ -8,15 +8,6 @@ thermo.validate(args.executable(), "h", "e"); basicSpecieMixture& composition = thermo.composition(); PtrList& Y = composition.Y(); -const word inertSpecie(thermo.properties().lookup("inertSpecie")); -if (!composition.species().found(inertSpecie)) -{ - FatalIOErrorIn(args.executable().c_str(), thermo.properties()) - << "Inert specie " << inertSpecie << " not found in available species " - << composition.species() - << exit(FatalIOError); -} - volScalarField rho ( IOobject diff --git a/applications/solvers/combustion/reactingFoam/createFieldRefs.H b/applications/solvers/combustion/reactingFoam/createFieldRefs.H index fdc479bc23..6e1184a1fa 100644 --- a/applications/solvers/combustion/reactingFoam/createFieldRefs.H +++ b/applications/solvers/combustion/reactingFoam/createFieldRefs.H @@ -1,3 +1,2 @@ const volScalarField& psi = thermo.psi(); const volScalarField& T = thermo.T(); -const label inertIndex(composition.species()[inertSpecie]); diff --git a/applications/solvers/combustion/reactingFoam/createFields.H b/applications/solvers/combustion/reactingFoam/createFields.H index 28b7b8199a..16e38c2ef2 100644 --- a/applications/solvers/combustion/reactingFoam/createFields.H +++ b/applications/solvers/combustion/reactingFoam/createFields.H @@ -8,15 +8,6 @@ thermo.validate(args.executable(), "h", "e"); basicSpecieMixture& composition = thermo.composition(); PtrList& Y = composition.Y(); -const word inertSpecie(thermo.properties().lookup("inertSpecie")); -if (!composition.species().found(inertSpecie)) -{ - FatalIOErrorIn(args.executable().c_str(), thermo.properties()) - << "Inert specie " << inertSpecie << " not found in available species " - << composition.species() - << exit(FatalIOError); -} - volScalarField rho ( IOobject diff --git a/applications/solvers/combustion/reactingFoam/setRDeltaT.H b/applications/solvers/combustion/reactingFoam/setRDeltaT.H index b64616057e..73423173c7 100644 --- a/applications/solvers/combustion/reactingFoam/setRDeltaT.H +++ b/applications/solvers/combustion/reactingFoam/setRDeltaT.H @@ -111,7 +111,7 @@ License forAll(Y, i) { - if (i != inertIndex && composition.active(i)) + if (composition.solve(i)) { volScalarField& Yi = Y[i]; diff --git a/applications/solvers/heatTransfer/chtMultiRegionFoam/fluid/YEqn.H b/applications/solvers/heatTransfer/chtMultiRegionFoam/fluid/YEqn.H index 612711f4c6..6fd2c3041a 100644 --- a/applications/solvers/heatTransfer/chtMultiRegionFoam/fluid/YEqn.H +++ b/applications/solvers/heatTransfer/chtMultiRegionFoam/fluid/YEqn.H @@ -1,24 +1,9 @@ { reaction.correct(); - tmp Yt(nullptr); - - if (Y.size()) - { - Yt = tmp - ( - new volScalarField - ( - IOobject("Yt", runTime.timeName(), mesh), - mesh, - dimensionedScalar(dimless, 0) - ) - ); - } - forAll(Y, i) { - if (i != inertIndex && composition.active(i)) + if (composition.solve(i)) { volScalarField& Yi = Y[i]; @@ -38,15 +23,8 @@ YiEqn.solve("Yi"); fvOptions.correct(Yi); - - Yi.max(0.0); - Yt.ref() += Yi; } } - if (Y.size()) - { - Y[inertIndex] = scalar(1) - Yt; - Y[inertIndex].max(0.0); - } + composition.normalise(); } diff --git a/applications/solvers/heatTransfer/chtMultiRegionFoam/fluid/setRegionFluidFields.H b/applications/solvers/heatTransfer/chtMultiRegionFoam/fluid/setRegionFluidFields.H index a9b10b4c8b..0f7e377b6b 100644 --- a/applications/solvers/heatTransfer/chtMultiRegionFoam/fluid/setRegionFluidFields.H +++ b/applications/solvers/heatTransfer/chtMultiRegionFoam/fluid/setRegionFluidFields.H @@ -8,21 +8,6 @@ basicSpecieMixture& composition = thermo.composition(); PtrList& Y = composition.Y(); - label inertIndex = -1; - if (Y.size()) - { - const word inertSpecie(thermo.properties().lookup("inertSpecie")); - if (!composition.species().found(inertSpecie)) - { - FatalIOErrorIn(args.executable().c_str(), thermo.properties()) - << "Inert specie " << inertSpecie - << " not found in available species " - << composition.species() - << exit(FatalIOError); - } - inertIndex = composition.species()[inertSpecie]; - } - volScalarField& rho = rhoFluid[i]; volVectorField& U = UFluid[i]; surfaceScalarField& phi = phiFluid[i]; diff --git a/applications/solvers/lagrangian/reactingParticleFoam/YEqn.H b/applications/solvers/lagrangian/reactingParticleFoam/YEqn.H index 6edb9c2b27..e958c91bdd 100644 --- a/applications/solvers/lagrangian/reactingParticleFoam/YEqn.H +++ b/applications/solvers/lagrangian/reactingParticleFoam/YEqn.H @@ -17,24 +17,9 @@ if (Y.size()) { combustion->correct(); - tmp Yt(nullptr); - - if (Y.size()) - { - Yt = tmp - ( - new volScalarField - ( - IOobject("Yt", runTime.timeName(), mesh), - mesh, - dimensionedScalar(dimless, 0) - ) - ); - } - forAll(Y, i) { - if (i != inertIndex && composition.active(i)) + if (composition.solve(i)) { volScalarField& Yi = Y[i]; @@ -57,15 +42,8 @@ if (Y.size()) YEqn.solve("Yi"); fvOptions.correct(Yi); - - Yi.max(0.0); - Yt.ref() += Yi; } } - if (Y.size()) - { - Y[inertIndex] = scalar(1) - Yt; - Y[inertIndex].max(0.0); - } + composition.normalise(); } diff --git a/applications/solvers/lagrangian/reactingParticleFoam/createFieldRefs.H b/applications/solvers/lagrangian/reactingParticleFoam/createFieldRefs.H index ab53cceb6f..1e7b8954eb 100644 --- a/applications/solvers/lagrangian/reactingParticleFoam/createFieldRefs.H +++ b/applications/solvers/lagrangian/reactingParticleFoam/createFieldRefs.H @@ -1,18 +1,3 @@ -label inertIndex = -1; -if (Y.size()) -{ - const word inertSpecie(thermo.properties().lookup("inertSpecie")); - if (!composition.species().found(inertSpecie)) - { - FatalIOErrorIn(args.executable().c_str(), thermo.properties()) - << "Inert specie " << inertSpecie - << " not found in available species " - << composition.species() - << exit(FatalIOError); - } - inertIndex = composition.species()[inertSpecie]; -} - const volScalarField& T = thermo.T(); const volScalarField& psi = thermo.psi(); regionModels::surfaceFilmModel& surfaceFilm = tsurfaceFilm(); diff --git a/applications/solvers/lagrangian/simpleReactingParticleFoam/YEqn.H b/applications/solvers/lagrangian/simpleReactingParticleFoam/YEqn.H index df6fb70471..5ab0d5944d 100644 --- a/applications/solvers/lagrangian/simpleReactingParticleFoam/YEqn.H +++ b/applications/solvers/lagrangian/simpleReactingParticleFoam/YEqn.H @@ -11,11 +11,10 @@ tmp> mvConvection { combustion->correct(); - volScalarField Yt(0.0*Y[0]); forAll(Y, i) { - if (i != inertIndex && composition.active(i)) + if (composition.solve(i)) { volScalarField& Yi = Y[i]; @@ -36,12 +35,8 @@ tmp> mvConvection YEqn.solve("Yi"); fvOptions.correct(Yi); - - Yi.max(0.0); - Yt += Yi; } } - Y[inertIndex] = scalar(1) - Yt; - Y[inertIndex].max(0.0); + composition.normalise(); } diff --git a/applications/solvers/lagrangian/simpleReactingParticleFoam/createFieldRefs.H b/applications/solvers/lagrangian/simpleReactingParticleFoam/createFieldRefs.H index fdc479bc23..6e1184a1fa 100644 --- a/applications/solvers/lagrangian/simpleReactingParticleFoam/createFieldRefs.H +++ b/applications/solvers/lagrangian/simpleReactingParticleFoam/createFieldRefs.H @@ -1,3 +1,2 @@ const volScalarField& psi = thermo.psi(); const volScalarField& T = thermo.T(); -const label inertIndex(composition.species()[inertSpecie]); diff --git a/applications/solvers/lagrangian/simpleReactingParticleFoam/createFields.H b/applications/solvers/lagrangian/simpleReactingParticleFoam/createFields.H index 001e5d83e9..077a355cf1 100644 --- a/applications/solvers/lagrangian/simpleReactingParticleFoam/createFields.H +++ b/applications/solvers/lagrangian/simpleReactingParticleFoam/createFields.H @@ -10,15 +10,6 @@ SLGThermo slgThermo(mesh, thermo); basicSpecieMixture& composition = thermo.composition(); PtrList& Y = composition.Y(); -const word inertSpecie(thermo.properties().lookup("inertSpecie")); -if (!composition.species().found(inertSpecie)) -{ - FatalIOErrorIn(args.executable().c_str(), thermo.properties()) - << "Inert specie " << inertSpecie << " not found in available species " - << composition.species() - << exit(FatalIOError); -} - volScalarField& p = thermo.p(); volScalarField rho diff --git a/applications/solvers/multiphase/multiphaseEulerFoam/phaseSystems/phaseModel/MultiComponentPhaseModel/MultiComponentPhaseModel.C b/applications/solvers/multiphase/multiphaseEulerFoam/phaseSystems/phaseModel/MultiComponentPhaseModel/MultiComponentPhaseModel.C index 3080d4a895..9303bf666a 100644 --- a/applications/solvers/multiphase/multiphaseEulerFoam/phaseSystems/phaseModel/MultiComponentPhaseModel/MultiComponentPhaseModel.C +++ b/applications/solvers/multiphase/multiphaseEulerFoam/phaseSystems/phaseModel/MultiComponentPhaseModel/MultiComponentPhaseModel.C @@ -52,24 +52,13 @@ Foam::MultiComponentPhaseModel::MultiComponentPhaseModel "residualAlpha", dimless, fluid.mesh().solverDict("Yi") - ), - inertIndex_(-1) + ) { - const word inertSpecie - ( - this->thermo_->properties().lookupOrDefault("inertSpecie", word::null) - ); - - if (inertSpecie != word::null) - { - inertIndex_ = this->thermo_->composition().species()[inertSpecie]; - } - PtrList& Y = this->thermo_->composition().Y(); forAll(Y, i) { - if (i != inertIndex_ && this->thermo_->composition().active(i)) + if (this->thermo_->composition().solve(i)) { const label j = YActive_.size(); YActive_.resize(j + 1); @@ -91,42 +80,7 @@ Foam::MultiComponentPhaseModel::~MultiComponentPhaseModel() template void Foam::MultiComponentPhaseModel::correctSpecies() { - volScalarField Yt - ( - IOobject - ( - IOobject::groupName("Yt", this->name()), - this->fluid().mesh().time().timeName(), - this->fluid().mesh() - ), - this->fluid().mesh(), - dimensionedScalar(dimless, 0) - ); - - PtrList& Yi = YRef(); - - forAll(Yi, i) - { - if (i != inertIndex_) - { - Yi[i].max(0); - Yt += Yi[i]; - } - } - - if (inertIndex_ != -1) - { - Yi[inertIndex_] = scalar(1) - Yt; - Yi[inertIndex_].max(0); - } - else - { - forAll(Yi, i) - { - Yi[i] /= Yt; - } - } - + this->thermo_->composition().normalise(); BasePhaseModel::correctSpecies(); } diff --git a/applications/solvers/multiphase/multiphaseEulerFoam/phaseSystems/phaseModel/MultiComponentPhaseModel/MultiComponentPhaseModel.H b/applications/solvers/multiphase/multiphaseEulerFoam/phaseSystems/phaseModel/MultiComponentPhaseModel/MultiComponentPhaseModel.H index 0764d83ed5..ff2f85e72f 100644 --- a/applications/solvers/multiphase/multiphaseEulerFoam/phaseSystems/phaseModel/MultiComponentPhaseModel/MultiComponentPhaseModel.H +++ b/applications/solvers/multiphase/multiphaseEulerFoam/phaseSystems/phaseModel/MultiComponentPhaseModel/MultiComponentPhaseModel.H @@ -59,9 +59,6 @@ protected: //- Residual phase fraction dimensionedScalar residualAlpha_; - //- Inert species index - label inertIndex_; - //- Pointer list to active species UPtrList YActive_; diff --git a/src/combustionModels/singleStepCombustion/singleStepCombustion.C b/src/combustionModels/singleStepCombustion/singleStepCombustion.C index e78c370f2e..b10ffc0239 100644 --- a/src/combustionModels/singleStepCombustion/singleStepCombustion.C +++ b/src/combustionModels/singleStepCombustion/singleStepCombustion.C @@ -69,8 +69,8 @@ void singleStepCombustion:: massAndAirStoichRatios() const scalar Wu = mixture_.specieThermos()[fuelIndex_].W(); stoicRatio_ = - (mixture_.specieThermos()[inertIndex_].W() - * specieStoichCoeffs_[inertIndex_] + (mixture_.specieThermos()[mixture_.defaultSpecie()].W() + * specieStoichCoeffs_[mixture_.defaultSpecie()] + mixture_.specieThermos()[O2Index].W() * mag(specieStoichCoeffs_[O2Index])) / (Wu*mag(specieStoichCoeffs_[fuelIndex_])); @@ -166,7 +166,6 @@ singleStepCombustion::singleStepCombustion specieStoichCoeffs_(mixture_.species().size(), 0.0), Yprod0_(mixture_.species().size(), 0.0), fres_(Yprod0_.size()), - inertIndex_(mixture_.species()[thermo.properties().lookup("inertSpecie")]), fuelIndex_(mixture_.species()[thermo.properties().lookup("fuel")]), specieProd_(Yprod0_.size(), 1), wFuel_ @@ -312,7 +311,7 @@ void singleStepCombustion::fresCorrect() forAll(reaction.rhs(), i) { const label speciei = reaction.rhs()[i].index; - if (speciei != inertIndex_) + if (speciei != mixture_.defaultSpecie()) { forAll(fres_[speciei], celli) { diff --git a/src/combustionModels/singleStepCombustion/singleStepCombustion.H b/src/combustionModels/singleStepCombustion/singleStepCombustion.H index 4ef49eada4..e735d8a6d9 100644 --- a/src/combustionModels/singleStepCombustion/singleStepCombustion.H +++ b/src/combustionModels/singleStepCombustion/singleStepCombustion.H @@ -83,9 +83,6 @@ protected: //- List of components residual PtrList fres_; - //- Inert specie index - label inertIndex_; - //- Fuel specie index label fuelIndex_; @@ -157,9 +154,6 @@ public: //- Return the list of components residual inline tmp fres(const label index) const; - //- Return the inert specie index - inline label inertIndex() const; - //- Return the fuel specie index inline label fuelIndex() const; diff --git a/src/combustionModels/singleStepCombustion/singleStepCombustionI.H b/src/combustionModels/singleStepCombustion/singleStepCombustionI.H index 530b2d3219..49870872ee 100644 --- a/src/combustionModels/singleStepCombustion/singleStepCombustionI.H +++ b/src/combustionModels/singleStepCombustion/singleStepCombustionI.H @@ -90,13 +90,6 @@ inline tmp singleStepCombustion::fres } -template -inline label singleStepCombustion::inertIndex() const -{ - return inertIndex_; -} - - template inline label singleStepCombustion::fuelIndex() const { diff --git a/src/thermophysicalModels/reactionThermo/mixtures/basicSpecieMixture/basicSpecieMixture.C b/src/thermophysicalModels/reactionThermo/mixtures/basicSpecieMixture/basicSpecieMixture.C index e5dca750b9..e44ee878a2 100644 --- a/src/thermophysicalModels/reactionThermo/mixtures/basicSpecieMixture/basicSpecieMixture.C +++ b/src/thermophysicalModels/reactionThermo/mixtures/basicSpecieMixture/basicSpecieMixture.C @@ -44,10 +44,37 @@ Foam::basicSpecieMixture::basicSpecieMixture ) : basicMixture(thermoDict, mesh, phaseName), + phaseName_(phaseName), species_(specieNames), + defaultSpecie_ + ( + species_.size() + ? ( + thermoDict.found("inertSpecie") + ? thermoDict.lookup("inertSpecie") + : thermoDict.lookup("defaultSpecie") + ) + : word("undefined") + ), + defaultSpecieIndex_(-1), active_(species_.size(), true), Y_(species_.size()) { + if (species_.size()) + { + if (species_.found(defaultSpecie_)) + { + defaultSpecieIndex_ = species_[defaultSpecie_]; + } + else + { + FatalIOErrorInFunction(thermoDict) + << "default specie " << defaultSpecie_ + << " not found in available species " << species_ + << exit(FatalIOError); + } + } + tmp tYdefault; forAll(species_, i) @@ -85,7 +112,10 @@ Foam::basicSpecieMixture::basicSpecieMixture // Read Ydefault if not already read if (!tYdefault.valid()) { - word YdefaultName(IOobject::groupName("Ydefault", phaseName)); + const word YdefaultName + ( + IOobject::groupName("Ydefault", phaseName) + ); IOobject timeIO ( @@ -147,8 +177,72 @@ Foam::basicSpecieMixture::basicSpecieMixture } } - // Do not enforce constraint of sum of mass fractions to equal 1 here - // - not applicable to all models + correctMassFractions(); +} + + +void Foam::basicSpecieMixture::correctMassFractions() +{ + if (species_.size()) + { + tmp tYt + ( + volScalarField::New + ( + IOobject::groupName("Yt", phaseName_), + Y_[0], + calculatedFvPatchScalarField::typeName + ) + ); + volScalarField& Yt = tYt.ref(); + + for (label i=1; i tYt + ( + volScalarField::New + ( + IOobject::groupName("Yt", phaseName_), + Y_[0].mesh(), + dimensionedScalar(dimless, 0) + ) + ); + volScalarField& Yt = tYt.ref(); + + forAll(Y_, i) + { + if (solve(i)) + { + Y_[i].max(scalar(0)); + Yt += Y_[i]; + } + } + + Y_[defaultSpecieIndex_] = scalar(1) - Yt; + Y_[defaultSpecieIndex_].max(scalar(0)); + } } diff --git a/src/thermophysicalModels/reactionThermo/mixtures/basicSpecieMixture/basicSpecieMixture.H b/src/thermophysicalModels/reactionThermo/mixtures/basicSpecieMixture/basicSpecieMixture.H index ffd4c9a5cb..603e765816 100644 --- a/src/thermophysicalModels/reactionThermo/mixtures/basicSpecieMixture/basicSpecieMixture.H +++ b/src/thermophysicalModels/reactionThermo/mixtures/basicSpecieMixture/basicSpecieMixture.H @@ -59,9 +59,21 @@ protected: // Protected data + //- Phase-name + const word& phaseName_; + //- Table of specie names speciesTable species_; + //- The name of the default specie + // The mass fraction of which is derived from the other species + // rather than solved. + // Also used as the carrier specie in multicomponent diffusion + word defaultSpecie_; + + //- The index of the default specie + label defaultSpecieIndex_; + //- List of specie active flags mutable List active_; @@ -69,6 +81,12 @@ protected: PtrList Y_; + // Protected Member Functions + + //- Scale the mass fractions to sum to 1 + void correctMassFractions(); + + public: //- Run time type information @@ -103,6 +121,9 @@ public: //- Does the mixture include this specie? inline bool contains(const word& specieName) const; + //- Return the index of the default specie + inline label defaultSpecie() const; + //- Return true for active species inline bool active(label speciei) const; @@ -115,6 +136,10 @@ public: //- Set speciei inactive inline void setInactive(label speciei) const; + //- Return true if the specie should be solved for + // i.e. active and not the default specie + inline bool solve(label speciei) const; + //- Return the mass-fraction fields inline PtrList& Y(); @@ -133,6 +158,11 @@ public: //- Return the const mass-fraction field for a specie given by name inline const volScalarField& Y(const word& specieName) const; + //- Normalise the mass fractions + // by clipping positive + // and deriving the default specie mass fraction from the other species + void normalise(); + // Specie properties diff --git a/src/thermophysicalModels/reactionThermo/mixtures/basicSpecieMixture/basicSpecieMixtureI.H b/src/thermophysicalModels/reactionThermo/mixtures/basicSpecieMixture/basicSpecieMixtureI.H index 2a1441e4d2..0a69694f96 100644 --- a/src/thermophysicalModels/reactionThermo/mixtures/basicSpecieMixture/basicSpecieMixtureI.H +++ b/src/thermophysicalModels/reactionThermo/mixtures/basicSpecieMixture/basicSpecieMixtureI.H @@ -35,6 +35,12 @@ inline bool Foam::basicSpecieMixture::contains(const word& specieName) const } +inline Foam::label Foam::basicSpecieMixture::defaultSpecie() const +{ + return defaultSpecieIndex_; +} + + inline bool Foam::basicSpecieMixture::active(label speciei) const { return active_[speciei]; @@ -61,6 +67,12 @@ inline void Foam::basicSpecieMixture::setInactive(label speciei) const } +inline bool Foam::basicSpecieMixture::solve(label speciei) const +{ + return speciei != defaultSpecieIndex_ && active_[speciei]; +} + + inline Foam::PtrList& Foam::basicSpecieMixture::Y() { return Y_; diff --git a/src/thermophysicalModels/reactionThermo/mixtures/multiComponentMixture/multiComponentMixture.C b/src/thermophysicalModels/reactionThermo/mixtures/multiComponentMixture/multiComponentMixture.C index 51ecc30c56..2d429b6880 100644 --- a/src/thermophysicalModels/reactionThermo/mixtures/multiComponentMixture/multiComponentMixture.C +++ b/src/thermophysicalModels/reactionThermo/mixtures/multiComponentMixture/multiComponentMixture.C @@ -104,31 +104,6 @@ Foam::multiComponentMixture::readSpeciesComposition } -template -void Foam::multiComponentMixture::correctMassFractions() -{ - // Multiplication by 1.0 changes Yt patches to "calculated" - volScalarField Yt("Yt", 1.0*Y_[0]); - - for (label n=1; nspecies() - << exit(FatalError); - } - - forAll(Y_, n) - { - Y_[n] /= Yt; - } -} - - // * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // template diff --git a/src/thermophysicalModels/reactionThermo/mixtures/multiComponentMixture/multiComponentMixture.H b/src/thermophysicalModels/reactionThermo/mixtures/multiComponentMixture/multiComponentMixture.H index 559b008221..90595fadfc 100644 --- a/src/thermophysicalModels/reactionThermo/mixtures/multiComponentMixture/multiComponentMixture.H +++ b/src/thermophysicalModels/reactionThermo/mixtures/multiComponentMixture/multiComponentMixture.H @@ -85,9 +85,6 @@ private: const speciesTable& speciesTable_ ) const; - //- Correct the mass fractions to sum to 1 - void correctMassFractions(); - public: diff --git a/test/multiphase/multiphaseEulerFoam/interfaceComposition/waterAndIsopropanolEvaporation/Allrun b/test/multiphase/multiphaseEulerFoam/interfaceComposition/waterAndIsopropanolEvaporation/Allrun index 4cb711ced9..bb2a842a71 100755 --- a/test/multiphase/multiphaseEulerFoam/interfaceComposition/waterAndIsopropanolEvaporation/Allrun +++ b/test/multiphase/multiphaseEulerFoam/interfaceComposition/waterAndIsopropanolEvaporation/Allrun @@ -14,7 +14,7 @@ setInertY() y=${1%.*} phase=${1#*.} [ $y != "none" ] && arg="-set $y" || arg="-remove" - runApplication -a foamDictionary -entry inertSpecie $arg \ + runApplication -a foamDictionary -entry defaultSpecie $arg \ constant/thermophysicalProperties.$phase } diff --git a/test/multiphase/multiphaseEulerFoam/interfaceComposition/waterAndIsopropanolEvaporation/constant/thermophysicalProperties.gas.orig b/test/multiphase/multiphaseEulerFoam/interfaceComposition/waterAndIsopropanolEvaporation/constant/thermophysicalProperties.gas.orig index 6e29af11df..de04f92378 100644 --- a/test/multiphase/multiphaseEulerFoam/interfaceComposition/waterAndIsopropanolEvaporation/constant/thermophysicalProperties.gas.orig +++ b/test/multiphase/multiphaseEulerFoam/interfaceComposition/waterAndIsopropanolEvaporation/constant/thermophysicalProperties.gas.orig @@ -33,7 +33,7 @@ species C3H8O ); -inertSpecie air; +defaultSpecie air; air { diff --git a/test/multiphase/multiphaseEulerFoam/interfaceComposition/waterAndIsopropanolEvaporation/constant/thermophysicalProperties.liquid.orig b/test/multiphase/multiphaseEulerFoam/interfaceComposition/waterAndIsopropanolEvaporation/constant/thermophysicalProperties.liquid.orig index 6d4662efda..ad11057f6d 100644 --- a/test/multiphase/multiphaseEulerFoam/interfaceComposition/waterAndIsopropanolEvaporation/constant/thermophysicalProperties.liquid.orig +++ b/test/multiphase/multiphaseEulerFoam/interfaceComposition/waterAndIsopropanolEvaporation/constant/thermophysicalProperties.liquid.orig @@ -32,7 +32,7 @@ species C3H8O ); -inertSpecie H2O; +defaultSpecie H2O; H2O { diff --git a/test/multiphase/multiphaseEulerFoam/interfaceComposition/waterEvaporation/Allrun b/test/multiphase/multiphaseEulerFoam/interfaceComposition/waterEvaporation/Allrun index c0a2ab843b..4cbcc40d5a 100755 --- a/test/multiphase/multiphaseEulerFoam/interfaceComposition/waterEvaporation/Allrun +++ b/test/multiphase/multiphaseEulerFoam/interfaceComposition/waterEvaporation/Allrun @@ -18,7 +18,7 @@ setInertY() * ) arg="-set $y";; esac - runApplication -a foamDictionary -entry inertSpecie $arg \ + runApplication -a foamDictionary -entry defaultSpecie $arg \ constant/thermophysicalProperties.$phase } diff --git a/test/multiphase/multiphaseEulerFoam/interfaceComposition/waterEvaporation/constant/thermophysicalProperties.gas.orig b/test/multiphase/multiphaseEulerFoam/interfaceComposition/waterEvaporation/constant/thermophysicalProperties.gas.orig index 02c26c95b0..ec7de1d9fa 100644 --- a/test/multiphase/multiphaseEulerFoam/interfaceComposition/waterEvaporation/constant/thermophysicalProperties.gas.orig +++ b/test/multiphase/multiphaseEulerFoam/interfaceComposition/waterEvaporation/constant/thermophysicalProperties.gas.orig @@ -26,7 +26,7 @@ thermoType energy sensibleInternalEnergy; } -inertSpecie air; +defaultSpecie air; species ( diff --git a/tutorials/combustion/chemFoam/gri/constant/thermophysicalProperties b/tutorials/combustion/chemFoam/gri/constant/thermophysicalProperties index 8cfb15e5bd..d0681f3e04 100644 --- a/tutorials/combustion/chemFoam/gri/constant/thermophysicalProperties +++ b/tutorials/combustion/chemFoam/gri/constant/thermophysicalProperties @@ -26,6 +26,8 @@ thermoType specie specie; } +defaultSpecie N2; + #include "speciesThermo" // ************************************************************************* // diff --git a/tutorials/combustion/chemFoam/h2/constant/thermophysicalProperties b/tutorials/combustion/chemFoam/h2/constant/thermophysicalProperties index 8cfb15e5bd..d0681f3e04 100644 --- a/tutorials/combustion/chemFoam/h2/constant/thermophysicalProperties +++ b/tutorials/combustion/chemFoam/h2/constant/thermophysicalProperties @@ -26,6 +26,8 @@ thermoType specie specie; } +defaultSpecie N2; + #include "speciesThermo" // ************************************************************************* // diff --git a/tutorials/combustion/chemFoam/ic8h18/constant/thermophysicalProperties b/tutorials/combustion/chemFoam/ic8h18/constant/thermophysicalProperties index 8cfb15e5bd..d0681f3e04 100644 --- a/tutorials/combustion/chemFoam/ic8h18/constant/thermophysicalProperties +++ b/tutorials/combustion/chemFoam/ic8h18/constant/thermophysicalProperties @@ -26,6 +26,8 @@ thermoType specie specie; } +defaultSpecie N2; + #include "speciesThermo" // ************************************************************************* // diff --git a/tutorials/combustion/chemFoam/ic8h18_TDAC/constant/thermophysicalProperties b/tutorials/combustion/chemFoam/ic8h18_TDAC/constant/thermophysicalProperties index 8cfb15e5bd..d0681f3e04 100644 --- a/tutorials/combustion/chemFoam/ic8h18_TDAC/constant/thermophysicalProperties +++ b/tutorials/combustion/chemFoam/ic8h18_TDAC/constant/thermophysicalProperties @@ -26,6 +26,8 @@ thermoType specie specie; } +defaultSpecie N2; + #include "speciesThermo" // ************************************************************************* // diff --git a/tutorials/combustion/chemFoam/nc7h16/constant/thermophysicalProperties b/tutorials/combustion/chemFoam/nc7h16/constant/thermophysicalProperties index 8cfb15e5bd..d0681f3e04 100644 --- a/tutorials/combustion/chemFoam/nc7h16/constant/thermophysicalProperties +++ b/tutorials/combustion/chemFoam/nc7h16/constant/thermophysicalProperties @@ -26,6 +26,8 @@ thermoType specie specie; } +defaultSpecie N2; + #include "speciesThermo" // ************************************************************************* // diff --git a/tutorials/combustion/coldEngineFoam/freePiston/constant/thermophysicalProperties b/tutorials/combustion/coldEngineFoam/freePiston/constant/thermophysicalProperties index e634343da6..9d36d09853 100644 --- a/tutorials/combustion/coldEngineFoam/freePiston/constant/thermophysicalProperties +++ b/tutorials/combustion/coldEngineFoam/freePiston/constant/thermophysicalProperties @@ -31,7 +31,7 @@ species air ); -inertSpecie air; +defaultSpecie air; #include "include/thermo.air" diff --git a/tutorials/combustion/fireFoam/LES/smallPoolFire2D/constant/thermophysicalProperties b/tutorials/combustion/fireFoam/LES/smallPoolFire2D/constant/thermophysicalProperties index d8de1362ea..41791c94ed 100644 --- a/tutorials/combustion/fireFoam/LES/smallPoolFire2D/constant/thermophysicalProperties +++ b/tutorials/combustion/fireFoam/LES/smallPoolFire2D/constant/thermophysicalProperties @@ -26,7 +26,7 @@ thermoType specie specie; } -inertSpecie N2; +defaultSpecie N2; fuel CH4; diff --git a/tutorials/combustion/fireFoam/LES/smallPoolFire3D/constant/thermophysicalProperties b/tutorials/combustion/fireFoam/LES/smallPoolFire3D/constant/thermophysicalProperties index d8de1362ea..41791c94ed 100644 --- a/tutorials/combustion/fireFoam/LES/smallPoolFire3D/constant/thermophysicalProperties +++ b/tutorials/combustion/fireFoam/LES/smallPoolFire3D/constant/thermophysicalProperties @@ -26,7 +26,7 @@ thermoType specie specie; } -inertSpecie N2; +defaultSpecie N2; fuel CH4; diff --git a/tutorials/combustion/reactingFoam/RAS/DLR_A_LTS/constant/thermophysicalProperties b/tutorials/combustion/reactingFoam/RAS/DLR_A_LTS/constant/thermophysicalProperties index b689ee9664..e22ce8c94c 100644 --- a/tutorials/combustion/reactingFoam/RAS/DLR_A_LTS/constant/thermophysicalProperties +++ b/tutorials/combustion/reactingFoam/RAS/DLR_A_LTS/constant/thermophysicalProperties @@ -27,7 +27,7 @@ thermoType specie specie; } -inertSpecie N2; +defaultSpecie N2; #include "thermo.compressibleGasGRI" diff --git a/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/thermophysicalProperties b/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/thermophysicalProperties index 8330b61360..2c6d73966f 100644 --- a/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/thermophysicalProperties +++ b/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/thermophysicalProperties @@ -26,7 +26,7 @@ thermoType specie specie; } -inertSpecie N2; +defaultSpecie N2; #include "thermo.compressibleGasGRI" diff --git a/tutorials/combustion/reactingFoam/RAS/membrane/constant/thermophysicalProperties b/tutorials/combustion/reactingFoam/RAS/membrane/constant/thermophysicalProperties index 816e936a8d..96037aacb8 100644 --- a/tutorials/combustion/reactingFoam/RAS/membrane/constant/thermophysicalProperties +++ b/tutorials/combustion/reactingFoam/RAS/membrane/constant/thermophysicalProperties @@ -26,7 +26,7 @@ thermoType specie specie; } -inertSpecie N2; +defaultSpecie N2; #include "thermo.compressibleGas" diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/thermophysicalProperties b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/thermophysicalProperties index 816e936a8d..96037aacb8 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/thermophysicalProperties +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/thermophysicalProperties @@ -26,7 +26,7 @@ thermoType specie specie; } -inertSpecie N2; +defaultSpecie N2; #include "thermo.compressibleGas" diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS/constant/thermophysicalProperties b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS/constant/thermophysicalProperties index 816e936a8d..96037aacb8 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS/constant/thermophysicalProperties +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS/constant/thermophysicalProperties @@ -26,7 +26,7 @@ thermoType specie specie; } -inertSpecie N2; +defaultSpecie N2; #include "thermo.compressibleGas" diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermophysicalProperties b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermophysicalProperties index 8330b61360..2c6d73966f 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermophysicalProperties +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermophysicalProperties @@ -26,7 +26,7 @@ thermoType specie specie; } -inertSpecie N2; +defaultSpecie N2; #include "thermo.compressibleGasGRI" diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI/constant/thermophysicalProperties b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI/constant/thermophysicalProperties index 8330b61360..2c6d73966f 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI/constant/thermophysicalProperties +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI/constant/thermophysicalProperties @@ -26,7 +26,7 @@ thermoType specie specie; } -inertSpecie N2; +defaultSpecie N2; #include "thermo.compressibleGasGRI" diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/thermophysicalProperties b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/thermophysicalProperties index 8330b61360..2c6d73966f 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/thermophysicalProperties +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/thermophysicalProperties @@ -26,7 +26,7 @@ thermoType specie specie; } -inertSpecie N2; +defaultSpecie N2; #include "thermo.compressibleGasGRI" diff --git a/tutorials/heatTransfer/chtMultiRegionFoam/reverseBurner/constant/gas/thermophysicalProperties b/tutorials/heatTransfer/chtMultiRegionFoam/reverseBurner/constant/gas/thermophysicalProperties index 8779e3be95..24ace2b3ca 100644 --- a/tutorials/heatTransfer/chtMultiRegionFoam/reverseBurner/constant/gas/thermophysicalProperties +++ b/tutorials/heatTransfer/chtMultiRegionFoam/reverseBurner/constant/gas/thermophysicalProperties @@ -26,7 +26,7 @@ thermoType energy sensibleEnthalpy; } -inertSpecie N2; +defaultSpecie N2; #include "thermo.compressibleGas" diff --git a/tutorials/lagrangian/buoyantReactingParticleFoam/cylinder/constant/thermophysicalProperties b/tutorials/lagrangian/buoyantReactingParticleFoam/cylinder/constant/thermophysicalProperties index 52f895213e..f2a088505d 100644 --- a/tutorials/lagrangian/buoyantReactingParticleFoam/cylinder/constant/thermophysicalProperties +++ b/tutorials/lagrangian/buoyantReactingParticleFoam/cylinder/constant/thermophysicalProperties @@ -28,7 +28,7 @@ thermoType #include "speciesThermo" -inertSpecie N2; +defaultSpecie N2; liquids { diff --git a/tutorials/lagrangian/buoyantReactingParticleFoam/hotBoxes/constant/thermophysicalProperties b/tutorials/lagrangian/buoyantReactingParticleFoam/hotBoxes/constant/thermophysicalProperties index 52f895213e..f2a088505d 100644 --- a/tutorials/lagrangian/buoyantReactingParticleFoam/hotBoxes/constant/thermophysicalProperties +++ b/tutorials/lagrangian/buoyantReactingParticleFoam/hotBoxes/constant/thermophysicalProperties @@ -28,7 +28,7 @@ thermoType #include "speciesThermo" -inertSpecie N2; +defaultSpecie N2; liquids { diff --git a/tutorials/lagrangian/buoyantReactingParticleFoam/rivuletPanel/constant/thermophysicalProperties b/tutorials/lagrangian/buoyantReactingParticleFoam/rivuletPanel/constant/thermophysicalProperties index 52f895213e..f2a088505d 100644 --- a/tutorials/lagrangian/buoyantReactingParticleFoam/rivuletPanel/constant/thermophysicalProperties +++ b/tutorials/lagrangian/buoyantReactingParticleFoam/rivuletPanel/constant/thermophysicalProperties @@ -28,7 +28,7 @@ thermoType #include "speciesThermo" -inertSpecie N2; +defaultSpecie N2; liquids { diff --git a/tutorials/lagrangian/buoyantReactingParticleFoam/splashPanel/constant/thermophysicalProperties b/tutorials/lagrangian/buoyantReactingParticleFoam/splashPanel/constant/thermophysicalProperties index 52f895213e..f2a088505d 100644 --- a/tutorials/lagrangian/buoyantReactingParticleFoam/splashPanel/constant/thermophysicalProperties +++ b/tutorials/lagrangian/buoyantReactingParticleFoam/splashPanel/constant/thermophysicalProperties @@ -28,7 +28,7 @@ thermoType #include "speciesThermo" -inertSpecie N2; +defaultSpecie N2; liquids { diff --git a/tutorials/lagrangian/reactingParticleFoam/aachenBomb/constant/thermophysicalProperties b/tutorials/lagrangian/reactingParticleFoam/aachenBomb/constant/thermophysicalProperties index 7af9a29ccf..e9261d6fde 100644 --- a/tutorials/lagrangian/reactingParticleFoam/aachenBomb/constant/thermophysicalProperties +++ b/tutorials/lagrangian/reactingParticleFoam/aachenBomb/constant/thermophysicalProperties @@ -30,7 +30,7 @@ thermoType newFormat yes; -inertSpecie N2; +defaultSpecie N2; liquids { diff --git a/tutorials/lagrangian/reactingParticleFoam/counterFlowFlame2DLTS/constant/thermophysicalProperties b/tutorials/lagrangian/reactingParticleFoam/counterFlowFlame2DLTS/constant/thermophysicalProperties index e5fc4a91ad..de94aa2e98 100644 --- a/tutorials/lagrangian/reactingParticleFoam/counterFlowFlame2DLTS/constant/thermophysicalProperties +++ b/tutorials/lagrangian/reactingParticleFoam/counterFlowFlame2DLTS/constant/thermophysicalProperties @@ -26,7 +26,7 @@ thermoType specie specie; } -inertSpecie N2; +defaultSpecie N2; #include "thermo.compressibleGas" diff --git a/tutorials/lagrangian/reactingParticleFoam/filter/constant/thermophysicalProperties b/tutorials/lagrangian/reactingParticleFoam/filter/constant/thermophysicalProperties index 52f895213e..f2a088505d 100644 --- a/tutorials/lagrangian/reactingParticleFoam/filter/constant/thermophysicalProperties +++ b/tutorials/lagrangian/reactingParticleFoam/filter/constant/thermophysicalProperties @@ -28,7 +28,7 @@ thermoType #include "speciesThermo" -inertSpecie N2; +defaultSpecie N2; liquids { diff --git a/tutorials/lagrangian/reactingParticleFoam/parcelInBox/constant/thermophysicalProperties b/tutorials/lagrangian/reactingParticleFoam/parcelInBox/constant/thermophysicalProperties index 6d04b522ce..6e3bcf41ec 100644 --- a/tutorials/lagrangian/reactingParticleFoam/parcelInBox/constant/thermophysicalProperties +++ b/tutorials/lagrangian/reactingParticleFoam/parcelInBox/constant/thermophysicalProperties @@ -28,7 +28,7 @@ thermoType #include "speciesThermo" -inertSpecie air; +defaultSpecie air; liquids { diff --git a/tutorials/lagrangian/reactingParticleFoam/simplifiedSiwek/constant/thermophysicalProperties b/tutorials/lagrangian/reactingParticleFoam/simplifiedSiwek/constant/thermophysicalProperties index 53762b8e10..e1987d78fd 100644 --- a/tutorials/lagrangian/reactingParticleFoam/simplifiedSiwek/constant/thermophysicalProperties +++ b/tutorials/lagrangian/reactingParticleFoam/simplifiedSiwek/constant/thermophysicalProperties @@ -28,7 +28,7 @@ thermoType #include "speciesThermo" -inertSpecie N2; +defaultSpecie N2; liquids { diff --git a/tutorials/lagrangian/reactingParticleFoam/verticalChannel/constant/thermophysicalProperties b/tutorials/lagrangian/reactingParticleFoam/verticalChannel/constant/thermophysicalProperties index 6d04b522ce..6e3bcf41ec 100644 --- a/tutorials/lagrangian/reactingParticleFoam/verticalChannel/constant/thermophysicalProperties +++ b/tutorials/lagrangian/reactingParticleFoam/verticalChannel/constant/thermophysicalProperties @@ -28,7 +28,7 @@ thermoType #include "speciesThermo" -inertSpecie air; +defaultSpecie air; liquids { diff --git a/tutorials/lagrangian/reactingParticleFoam/verticalChannelLTS/constant/thermophysicalProperties b/tutorials/lagrangian/reactingParticleFoam/verticalChannelLTS/constant/thermophysicalProperties index 6d04b522ce..6e3bcf41ec 100644 --- a/tutorials/lagrangian/reactingParticleFoam/verticalChannelLTS/constant/thermophysicalProperties +++ b/tutorials/lagrangian/reactingParticleFoam/verticalChannelLTS/constant/thermophysicalProperties @@ -28,7 +28,7 @@ thermoType #include "speciesThermo" -inertSpecie air; +defaultSpecie air; liquids { diff --git a/tutorials/lagrangian/simpleReactingParticleFoam/verticalChannel/constant/thermophysicalProperties b/tutorials/lagrangian/simpleReactingParticleFoam/verticalChannel/constant/thermophysicalProperties index 6d04b522ce..6e3bcf41ec 100644 --- a/tutorials/lagrangian/simpleReactingParticleFoam/verticalChannel/constant/thermophysicalProperties +++ b/tutorials/lagrangian/simpleReactingParticleFoam/verticalChannel/constant/thermophysicalProperties @@ -28,7 +28,7 @@ thermoType #include "speciesThermo" -inertSpecie air; +defaultSpecie air; liquids { diff --git a/tutorials/multiphase/multiphaseEulerFoam/RAS/bubbleColumnEvaporatingReacting/constant/thermophysicalProperties.gas b/tutorials/multiphase/multiphaseEulerFoam/RAS/bubbleColumnEvaporatingReacting/constant/thermophysicalProperties.gas index 18a1db6b89..cde8b0d5a8 100644 --- a/tutorials/multiphase/multiphaseEulerFoam/RAS/bubbleColumnEvaporatingReacting/constant/thermophysicalProperties.gas +++ b/tutorials/multiphase/multiphaseEulerFoam/RAS/bubbleColumnEvaporatingReacting/constant/thermophysicalProperties.gas @@ -26,7 +26,7 @@ thermoType energy sensibleInternalEnergy; } -inertSpecie AIR; +defaultSpecie AIR; #include "thermo.gas" diff --git a/tutorials/multiphase/multiphaseEulerFoam/laminar/bubbleColumnEvaporating/constant/thermophysicalProperties.gas b/tutorials/multiphase/multiphaseEulerFoam/laminar/bubbleColumnEvaporating/constant/thermophysicalProperties.gas index 02c26c95b0..ec7de1d9fa 100644 --- a/tutorials/multiphase/multiphaseEulerFoam/laminar/bubbleColumnEvaporating/constant/thermophysicalProperties.gas +++ b/tutorials/multiphase/multiphaseEulerFoam/laminar/bubbleColumnEvaporating/constant/thermophysicalProperties.gas @@ -26,7 +26,7 @@ thermoType energy sensibleInternalEnergy; } -inertSpecie air; +defaultSpecie air; species ( diff --git a/tutorials/multiphase/multiphaseEulerFoam/laminar/bubbleColumnEvaporating/constant/thermophysicalProperties.liquid b/tutorials/multiphase/multiphaseEulerFoam/laminar/bubbleColumnEvaporating/constant/thermophysicalProperties.liquid index 8e6b77c05d..cc0ae5b2ba 100644 --- a/tutorials/multiphase/multiphaseEulerFoam/laminar/bubbleColumnEvaporating/constant/thermophysicalProperties.liquid +++ b/tutorials/multiphase/multiphaseEulerFoam/laminar/bubbleColumnEvaporating/constant/thermophysicalProperties.liquid @@ -32,7 +32,7 @@ species H2O ); -inertSpecie H2O; +defaultSpecie H2O; "(mixture|H2O)" { diff --git a/tutorials/multiphase/multiphaseEulerFoam/laminar/bubbleColumnEvaporatingDissolving/constant/thermophysicalProperties.gas b/tutorials/multiphase/multiphaseEulerFoam/laminar/bubbleColumnEvaporatingDissolving/constant/thermophysicalProperties.gas index 97bddfccdf..da2b4786ca 100644 --- a/tutorials/multiphase/multiphaseEulerFoam/laminar/bubbleColumnEvaporatingDissolving/constant/thermophysicalProperties.gas +++ b/tutorials/multiphase/multiphaseEulerFoam/laminar/bubbleColumnEvaporatingDissolving/constant/thermophysicalProperties.gas @@ -32,7 +32,7 @@ species water ); -inertSpecie air; +defaultSpecie air; "(mixture|air)" { diff --git a/tutorials/multiphase/multiphaseEulerFoam/laminar/bubbleColumnEvaporatingDissolving/constant/thermophysicalProperties.liquid b/tutorials/multiphase/multiphaseEulerFoam/laminar/bubbleColumnEvaporatingDissolving/constant/thermophysicalProperties.liquid index 8efb582c65..7da896559d 100644 --- a/tutorials/multiphase/multiphaseEulerFoam/laminar/bubbleColumnEvaporatingDissolving/constant/thermophysicalProperties.liquid +++ b/tutorials/multiphase/multiphaseEulerFoam/laminar/bubbleColumnEvaporatingDissolving/constant/thermophysicalProperties.liquid @@ -32,7 +32,7 @@ species water ); -inertSpecie water; +defaultSpecie water; "(mixture|water)" { diff --git a/tutorials/multiphase/multiphaseEulerFoam/laminar/titaniaSynthesis/constant/thermophysicalProperties.particles b/tutorials/multiphase/multiphaseEulerFoam/laminar/titaniaSynthesis/constant/thermophysicalProperties.particles index d50f1712fc..21a24e1de1 100644 --- a/tutorials/multiphase/multiphaseEulerFoam/laminar/titaniaSynthesis/constant/thermophysicalProperties.particles +++ b/tutorials/multiphase/multiphaseEulerFoam/laminar/titaniaSynthesis/constant/thermophysicalProperties.particles @@ -28,7 +28,7 @@ thermoType species (TiO2); -inertSpecie TiO2; +defaultSpecie TiO2; TiO2 { diff --git a/tutorials/multiphase/multiphaseEulerFoam/laminar/titaniaSynthesis/constant/thermophysicalProperties.vapor b/tutorials/multiphase/multiphaseEulerFoam/laminar/titaniaSynthesis/constant/thermophysicalProperties.vapor index 1a8c5f4b10..20cf783c29 100644 --- a/tutorials/multiphase/multiphaseEulerFoam/laminar/titaniaSynthesis/constant/thermophysicalProperties.vapor +++ b/tutorials/multiphase/multiphaseEulerFoam/laminar/titaniaSynthesis/constant/thermophysicalProperties.vapor @@ -26,7 +26,7 @@ thermoType energy sensibleEnthalpy; } -inertSpecie Ar; +defaultSpecie Ar; #include "$FOAM_CASE/constant/thermo.vapor" diff --git a/tutorials/multiphase/multiphaseEulerFoam/laminar/titaniaSynthesisSurface/constant/thermophysicalProperties.particles b/tutorials/multiphase/multiphaseEulerFoam/laminar/titaniaSynthesisSurface/constant/thermophysicalProperties.particles index 1673e35ccc..37a815421f 100644 --- a/tutorials/multiphase/multiphaseEulerFoam/laminar/titaniaSynthesisSurface/constant/thermophysicalProperties.particles +++ b/tutorials/multiphase/multiphaseEulerFoam/laminar/titaniaSynthesisSurface/constant/thermophysicalProperties.particles @@ -28,7 +28,7 @@ thermoType species (TiO2 TiO2_s); -inertSpecie TiO2; +defaultSpecie TiO2; TiO2 { diff --git a/tutorials/multiphase/multiphaseEulerFoam/laminar/titaniaSynthesisSurface/constant/thermophysicalProperties.vapor b/tutorials/multiphase/multiphaseEulerFoam/laminar/titaniaSynthesisSurface/constant/thermophysicalProperties.vapor index 1a8c5f4b10..20cf783c29 100644 --- a/tutorials/multiphase/multiphaseEulerFoam/laminar/titaniaSynthesisSurface/constant/thermophysicalProperties.vapor +++ b/tutorials/multiphase/multiphaseEulerFoam/laminar/titaniaSynthesisSurface/constant/thermophysicalProperties.vapor @@ -26,7 +26,7 @@ thermoType energy sensibleEnthalpy; } -inertSpecie Ar; +defaultSpecie Ar; #include "$FOAM_CASE/constant/thermo.vapor"