diff --git a/src/fvOptions/Make/files b/src/fvOptions/Make/files index 534e9cd2d7..7ede376606 100644 --- a/src/fvOptions/Make/files +++ b/src/fvOptions/Make/files @@ -36,6 +36,7 @@ $(derivedSources)/tabulatedAccelerationSource/tabulatedAccelerationSource.C $(derivedSources)/tabulatedAccelerationSource/tabulated6DoFAcceleration/tabulated6DoFAcceleration.C $(derivedSources)/viscousDissipation/viscousDissipation.C $(derivedSources)/buoyancyTurbSource/buoyancyTurbSource.C +$(derivedSources)/patchCellsSource/patchCellsSource.C interRegion = sources/interRegion $(interRegion)/interRegionHeatTransfer/interRegionHeatTransferModel/interRegionHeatTransferModel.C diff --git a/src/fvOptions/Make/options b/src/fvOptions/Make/options index 5da3ef931d..1e51ded765 100644 --- a/src/fvOptions/Make/options +++ b/src/fvOptions/Make/options @@ -8,6 +8,7 @@ EXE_INC = \ -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/specie/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/solidThermo/lnInclude \ + -I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude \ -I$(LIB_SRC)/TurbulenceModels/turbulenceModels/lnInclude \ -I$(LIB_SRC)/TurbulenceModels/compressible/lnInclude \ -I$(LIB_SRC)/TurbulenceModels/incompressible/lnInclude @@ -20,4 +21,5 @@ LIB_LIBS = \ -lsolidThermo \ -lturbulenceModels \ -lincompressibleTurbulenceModels \ - -lcompressibleTurbulenceModels + -lcompressibleTurbulenceModels \ + -lreactionThermophysicalModels diff --git a/src/fvOptions/sources/derived/patchCellsSource/patchCellsSource.C b/src/fvOptions/sources/derived/patchCellsSource/patchCellsSource.C new file mode 100644 index 0000000000..7d5b74f643 --- /dev/null +++ b/src/fvOptions/sources/derived/patchCellsSource/patchCellsSource.C @@ -0,0 +1,195 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | OpenFOAM: The Open Source CFD Toolbox + \\ / O peration | + \\ / A nd | www.openfoam.com + \\/ M anipulation | +------------------------------------------------------------------------------- + Copyright (C) 2022 OpenCFD Ltd. +------------------------------------------------------------------------------- +License + This file is part of OpenFOAM. + + OpenFOAM is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + OpenFOAM is distributed in the hope that it will be useful, but WITHOUT + ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or + FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License + for more details. + + You should have received a copy of the GNU General Public License + along with OpenFOAM. If not, see . + +\*---------------------------------------------------------------------------*/ + +#include "patchCellsSource.H" +#include "fvMatrices.H" +#include "addToRunTimeSelectionTable.H" +#include "boundarySourcePatch.H" + +// * * * * * * * * * * * * * Static Member Functions * * * * * * * * * * * * // + +namespace Foam +{ +namespace fv +{ + defineTypeNameAndDebug(patchCellsSource, 0); + addToRunTimeSelectionTable(option, patchCellsSource, dictionary); +} +} + + +// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // + +Foam::fv::patchCellsSource::patchCellsSource +( + const word& sourceName, + const word& modelType, + const dictionary& dict, + const fvMesh& mesh +) +: + fv::option(sourceName, modelType, dict, mesh), + curTimeIndex_(-1), + UName_(coeffs_.getOrDefault("U", "none")), + hName_(coeffs_.getOrDefault("he", "none")), + speciesName_(coeffs_.getOrDefault("species", "none")) +{ + label nFields = 0; + if (UName_ != "none") + { + nFields++; + } + if (hName_ != "none") + { + nFields++; + } + if (speciesName_ != "none") + { + nFields++; + } + + if (nFields > 1) + { + FatalErrorInFunction + << "patchCellsSource : " + << " cannot be used for more than one field." + << exit(FatalError); + } + + fieldNames_.resize(1); + if (speciesName_ != "none") + { + fieldNames_[0] = speciesName_; + } + + if (UName_ != "none") + { + fieldNames_[0] = UName_; + } + + if (hName_ != "none") + { + fieldNames_[0] = hName_; + } + + fv::option::resetApplied(); +} + + +// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * // + +void Foam::fv::patchCellsSource::addSup +( + const volScalarField& rho, + fvMatrix& eqn, + const label fieldi +) +{ + if (debug) + { + Info<< type() << ": applying source to " << eqn.psi().name() << endl; + } + + if (curTimeIndex_ == mesh_.time().timeIndex()) + { + return; + } + + volScalarField* psiPtr; + + // If source applied to he, we need to loop over T for BC's + if (hName_ != "none") + { + psiPtr = mesh_.getObjectPtr("T"); + } + else + { + auto* psi = + mesh_.getObjectPtr(eqn.psi().name()); + + psiPtr = psi; + } + + const volScalarField::Boundary& psib = psiPtr->boundaryField(); + + volScalarField mDot + ( + IOobject + ( + "mDot", + mesh_.time().timeName(), + mesh_, + IOobject::NO_READ, + IOobject::NO_WRITE + ), + mesh_, + dimensionedScalar(eqn.dimensions()/dimVolume, Zero) + ); + + forAll(psib, patchi) + { + if (isA(psib[patchi])) + { + const boundarySourcePatch& pp = + refCast(psib[patchi]); + + const labelUList& fc = mesh_.boundary()[patchi].faceCells(); + + tmp tsb = pp.patchSource(); + const scalarField& sb = tsb.cref(); + + forAll(fc, facei) + { + const label celli = fc[facei]; + mDot[celli] += sb[facei]; + } + } + } + eqn += mDot; + + curTimeIndex_ = mesh_.time().timeIndex(); + + if (debug) + { + Info<< " Field source rate min/max : " + << gMin(mDot) << " / " << gMax(mDot) << endl; + } +} + + +bool Foam::fv::patchCellsSource::read(const dictionary& dict) +{ + if (!fv::option::read(dict)) + { + return false; + } + + return true; +} + + +// ************************************************************************* // diff --git a/src/fvOptions/sources/derived/patchCellsSource/patchCellsSource.H b/src/fvOptions/sources/derived/patchCellsSource/patchCellsSource.H new file mode 100644 index 0000000000..6c39b97012 --- /dev/null +++ b/src/fvOptions/sources/derived/patchCellsSource/patchCellsSource.H @@ -0,0 +1,162 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | OpenFOAM: The Open Source CFD Toolbox + \\ / O peration | + \\ / A nd | www.openfoam.com + \\/ M anipulation | +------------------------------------------------------------------------------- + Copyright (C) 2022 OpenCFD Ltd. +------------------------------------------------------------------------------- +License + This file is part of OpenFOAM. + + OpenFOAM is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + OpenFOAM is distributed in the hope that it will be useful, but WITHOUT + ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or + FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License + for more details. + + You should have received a copy of the GNU General Public License + along with OpenFOAM. If not, see . + +Class + Foam::fv::patchCellsSource + +Group + grpFvOptionsSources + +Description + Source defined by a boundary condition applied to cells next to patches. + This fvOption needs to be used with a \c boundarySourcePatch type of + boundary condition (e.g. \c speciesSorption and \c enthalpySorption.) + +Usage + Minimal example by using \c constant/fvOptions: + \verbatim + + { + // Mandatory entries + type patchCellsSource; + + // Optional entries + U ; + he ; + species ; + + // Inherited entries + ... + } + \endverbatim + + where the entries mean: + \table + Property | Description | Type | Reqd | Deflt + type | Type name: patchCellsSource | word | yes | - + U | Name of operand velocity field | word | no | none + he | Name of operand energy field | word | no | none + species | Name of operand species field | word | no | none + \endtable + + The inherited entries are elaborated in: + - \link cellSetOption.H \endlink + +SourceFiles + patchCellsSource.C + +\*---------------------------------------------------------------------------*/ + +#ifndef Foam_fv_patchCellsSource_H +#define Foam_fv_patchCellsSource_H + +#include "fvMesh.H" +#include "volFields.H" +#include "cellSetOption.H" + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +namespace Foam +{ +namespace fv +{ + +/*---------------------------------------------------------------------------*\ + Class patchCellsSource Declaration +\*---------------------------------------------------------------------------*/ + +class patchCellsSource +: + public fv::option +{ + // Private Data + + //- Current time index (used for updating) + label curTimeIndex_; + + //- Name of operand velocity field + word UName_; + + //- Name of operand energy field + word hName_; + + //- Name of operand species field + word speciesName_; + + +public: + + //- Runtime type information + TypeName("patchCellsSource"); + + + // Constructors + + //- Construct from explicit source name and mesh + patchCellsSource + ( + const word& sourceName, + const word& modelType, + const dictionary& dict, + const fvMesh& mesh + ); + + //- No copy construct + patchCellsSource(const patchCellsSource&) = delete; + + //- No copy assignment + void operator=(const patchCellsSource&) = delete; + + + //- Destructor + virtual ~patchCellsSource() = default; + + + // Member Functions + + //- Add explicit contribution to compressible enthalpy equation + virtual void addSup + ( + const volScalarField& rho, + fvMatrix& eqn, + const label fieldi + ); + + //- Read source dictionary + virtual bool read(const dictionary& dict); +}; + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +} // End namespace fv +} // End namespace Foam + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + + +#endif + +// ************************************************************************* // diff --git a/src/thermophysicalModels/reactionThermo/Make/files b/src/thermophysicalModels/reactionThermo/Make/files index e31e2076ff..1778902590 100644 --- a/src/thermophysicalModels/reactionThermo/Make/files +++ b/src/thermophysicalModels/reactionThermo/Make/files @@ -18,6 +18,9 @@ rhoReactionThermo/rhoReactionThermos.C derivedFvPatchFields/fixedUnburntEnthalpy/fixedUnburntEnthalpyFvPatchScalarField.C derivedFvPatchFields/gradientUnburntEnthalpy/gradientUnburntEnthalpyFvPatchScalarField.C derivedFvPatchFields/mixedUnburntEnthalpy/mixedUnburntEnthalpyFvPatchScalarField.C +derivedFvPatchFields/speciesSorption/speciesSorptionFvPatchScalarField.C +derivedFvPatchFields/enthalpySorption/enthalpySorptionFvPatchScalarField.C +derivedFvPatchFields/boundarySourcePatch/boundarySourcePatch.C functionObjects/moleFractions/moleFractionsFunctionObjects.C diff --git a/src/thermophysicalModels/reactionThermo/Make/options b/src/thermophysicalModels/reactionThermo/Make/options index 9b2471488b..8982d92338 100644 --- a/src/thermophysicalModels/reactionThermo/Make/options +++ b/src/thermophysicalModels/reactionThermo/Make/options @@ -1,5 +1,6 @@ EXE_INC = \ -I$(LIB_SRC)/finiteVolume/lnInclude \ + -I$(LIB_SRC)/meshTools/lnInclude \ -I$(LIB_SRC)/transportModels/compressible/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/specie/lnInclude \ @@ -9,6 +10,7 @@ EXE_INC = \ LIB_LIBS = \ -lfiniteVolume \ + -lmeshTools \ -lcompressibleTransportModels \ -lfluidThermophysicalModels \ -lspecie \ diff --git a/src/thermophysicalModels/reactionThermo/derivedFvPatchFields/boundarySourcePatch/boundarySourcePatch.C b/src/thermophysicalModels/reactionThermo/derivedFvPatchFields/boundarySourcePatch/boundarySourcePatch.C new file mode 100644 index 0000000000..4188677dd4 --- /dev/null +++ b/src/thermophysicalModels/reactionThermo/derivedFvPatchFields/boundarySourcePatch/boundarySourcePatch.C @@ -0,0 +1,38 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | OpenFOAM: The Open Source CFD Toolbox + \\ / O peration | + \\ / A nd | www.openfoam.com + \\/ M anipulation | +------------------------------------------------------------------------------- + Copyright (C) 2022 OpenCFD Ltd. +------------------------------------------------------------------------------- +License + This file is part of OpenFOAM. + + OpenFOAM is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + OpenFOAM is distributed in the hope that it will be useful, but WITHOUT + ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or + FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License + for more details. + + You should have received a copy of the GNU General Public License + along with OpenFOAM. If not, see . + +\*---------------------------------------------------------------------------*/ + +#include "boundarySourcePatch.H" + +// * * * * * * * * * * * * * Static Member Functions * * * * * * * * * * * * // + +namespace Foam +{ + defineTypeNameAndDebug(boundarySourcePatch, 0); +} + + +// ************************************************************************* // diff --git a/src/thermophysicalModels/reactionThermo/derivedFvPatchFields/boundarySourcePatch/boundarySourcePatch.H b/src/thermophysicalModels/reactionThermo/derivedFvPatchFields/boundarySourcePatch/boundarySourcePatch.H new file mode 100644 index 0000000000..79bf4d3837 --- /dev/null +++ b/src/thermophysicalModels/reactionThermo/derivedFvPatchFields/boundarySourcePatch/boundarySourcePatch.H @@ -0,0 +1,78 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | OpenFOAM: The Open Source CFD Toolbox + \\ / O peration | + \\ / A nd | www.openfoam.com + \\/ M anipulation | +------------------------------------------------------------------------------- + Copyright (C) 2022 OpenCFD Ltd. +------------------------------------------------------------------------------- +License + This file is part of OpenFOAM. + + OpenFOAM is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + OpenFOAM is distributed in the hope that it will be useful, but WITHOUT + ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or + FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License + for more details. + + You should have received a copy of the GNU General Public License + along with OpenFOAM. If not, see . + +Class + Foam::boundarySourcePatch + +Description + Pure virtual class for sources on cells next to patches. + +SourceFiles + boundarySourcePatch.C + +\*---------------------------------------------------------------------------*/ + +#ifndef Foam_boundarySourcePatch_H +#define Foam_boundarySourcePatch_H + +#include "scalarField.H" + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +namespace Foam +{ + +/*---------------------------------------------------------------------------*\ + Class boundarySourcePatch Declaration +\*---------------------------------------------------------------------------*/ + +class boundarySourcePatch +{ +public: + + //- Runtime type information + TypeName("boundarySourcePatch"); + + + //- Destructor + virtual ~boundarySourcePatch() = default; + + + // Member Functions + + //- Source applied on cells of the patch + virtual tmp patchSource() const = 0; +}; + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +} // End namespace Foam + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +#endif + +// ************************************************************************* // diff --git a/src/thermophysicalModels/reactionThermo/derivedFvPatchFields/enthalpySorption/enthalpySorptionFvPatchScalarField.C b/src/thermophysicalModels/reactionThermo/derivedFvPatchFields/enthalpySorption/enthalpySorptionFvPatchScalarField.C new file mode 100644 index 0000000000..694dc96d98 --- /dev/null +++ b/src/thermophysicalModels/reactionThermo/derivedFvPatchFields/enthalpySorption/enthalpySorptionFvPatchScalarField.C @@ -0,0 +1,350 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | OpenFOAM: The Open Source CFD Toolbox + \\ / O peration | + \\ / A nd | www.openfoam.com + \\/ M anipulation | +------------------------------------------------------------------------------- + Copyright (C) 2022 OpenCFD Ltd. +------------------------------------------------------------------------------- +License + This file is part of OpenFOAM. + + OpenFOAM is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + OpenFOAM is distributed in the hope that it will be useful, but WITHOUT + ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or + FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License + for more details. + + You should have received a copy of the GNU General Public License + along with OpenFOAM. If not, see . + +\*---------------------------------------------------------------------------*/ + +#include "enthalpySorptionFvPatchScalarField.H" +#include "addToRunTimeSelectionTable.H" +#include "fvPatchFieldMapper.H" +#include "volFields.H" +#include "rhoReactionThermo.H" +#include "speciesSorptionFvPatchScalarField.H" + +// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * // + +const Foam::Enum +< + Foam::enthalpySorptionFvPatchScalarField::enthalpyModelType +> +Foam::enthalpySorptionFvPatchScalarField::enthalpyModelTypeNames +({ + { enthalpyModelType::estimated, "estimated" }, + { enthalpyModelType::calculated, "calculated" } +}); + + +// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // + +Foam::enthalpySorptionFvPatchScalarField::enthalpySorptionFvPatchScalarField +( + const fvPatch& p, + const DimensionedField& iF +) +: + zeroGradientFvPatchScalarField(p, iF), + enthalpyModel_(enthalpyModelType::estimated), + includeHs_(false), + enthalpyMassLoadPtr_(nullptr), + C_(0), + Hvap_(0), + speciesName_("none"), + pName_("p"), + TName_("T"), + dhdt_(p.size(), 0) +{} + + +Foam::enthalpySorptionFvPatchScalarField::enthalpySorptionFvPatchScalarField +( + const fvPatch& p, + const DimensionedField& iF, + const dictionary& dict +) +: + zeroGradientFvPatchScalarField(p, iF, dict), + enthalpyModel_(enthalpyModelTypeNames.get("enthalpyModel", dict)), + includeHs_(dict.getOrDefault("includeHs", true)), + enthalpyMassLoadPtr_(nullptr), + C_(dict.getCheckOrDefault("C", 0, scalarMinMax::ge(0))), + Hvap_(dict.getCheckOrDefault("Hvap", 0, scalarMinMax::ge(0))), + speciesName_(dict.get("species")), + pName_(dict.getOrDefault("p", "p")), + TName_(dict.getOrDefault("T", "T")), + dhdt_ + ( + dict.found("dhdt") + ? scalarField("dhdt", dict, p.size()) + : scalarField(p.size(), 0) + ) +{ + switch (enthalpyModel_) + { + case enthalpyModelType::calculated: + { + enthalpyMassLoadPtr_ = + Function1::New("enthalpyTable", dict); + break; + } + case enthalpyModelType::estimated: + { + break; + } + } + + if (dict.found("value")) + { + fvPatchScalarField::operator= + ( + scalarField("value", dict, p.size()) + ); + } + else + { + fvPatchField::operator=(Zero); + } +} + + +Foam::enthalpySorptionFvPatchScalarField::enthalpySorptionFvPatchScalarField +( + const enthalpySorptionFvPatchScalarField& ptf, + const fvPatch& p, + const DimensionedField& iF, + const fvPatchFieldMapper& mapper +) +: + zeroGradientFvPatchScalarField(ptf, p, iF, mapper), + enthalpyModel_(ptf.enthalpyModel_), + includeHs_(ptf.includeHs_), + enthalpyMassLoadPtr_(ptf.enthalpyMassLoadPtr_.clone()), + C_(ptf.C_), + Hvap_(ptf.Hvap_), + speciesName_(ptf.speciesName_), + pName_(ptf.pName_), + TName_(ptf.TName_), + dhdt_(ptf.dhdt_, mapper) +{} + + +Foam::enthalpySorptionFvPatchScalarField::enthalpySorptionFvPatchScalarField +( + const enthalpySorptionFvPatchScalarField& ptf +) +: + zeroGradientFvPatchScalarField(ptf), + enthalpyModel_(ptf.enthalpyModel_), + includeHs_(ptf.includeHs_), + enthalpyMassLoadPtr_(ptf.enthalpyMassLoadPtr_.clone()), + C_(ptf.C_), + Hvap_(ptf.Hvap_), + speciesName_(ptf.speciesName_), + pName_(ptf.pName_), + TName_(ptf.TName_), + dhdt_(ptf.dhdt_) +{} + + +Foam::enthalpySorptionFvPatchScalarField::enthalpySorptionFvPatchScalarField +( + const enthalpySorptionFvPatchScalarField& ptf, + const DimensionedField& iF +) +: + zeroGradientFvPatchScalarField(ptf, iF), + enthalpyModel_(ptf.enthalpyModel_), + includeHs_(ptf.includeHs_), + enthalpyMassLoadPtr_(ptf.enthalpyMassLoadPtr_.clone()), + C_(ptf.C_), + Hvap_(ptf.Hvap_), + speciesName_(ptf.speciesName_), + pName_(ptf.pName_), + TName_(ptf.TName_), + dhdt_(ptf.dhdt_) +{} + + +// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * // + +void Foam::enthalpySorptionFvPatchScalarField::autoMap +( + const fvPatchFieldMapper& m +) +{ + zeroGradientFvPatchScalarField::autoMap(m); + + dhdt_.autoMap(m); +} + + +void Foam::enthalpySorptionFvPatchScalarField::rmap +( + const fvPatchScalarField& ptf, + const labelList& addr +) +{ + zeroGradientFvPatchScalarField::rmap(ptf, addr); + + const auto& tiptf = refCast(ptf); + + dhdt_.rmap(tiptf.dhdt_, addr); +} + + +Foam::tmp Foam::enthalpySorptionFvPatchScalarField:: +patchSource() const +{ + const auto& Yp = + refCast + ( + patch().lookupPatchField + ( + speciesName_ + ) + ); + + // mass rate [kg/sec/m3] + tmp tmassb = Yp.patchSource(); + const scalarField& massb = tmassb(); + + // The moles absorbed by the solid + // dhdt[J/kg] * kg/sec/m3 = [J/m3/s] + scalarField dhdt(dhdt_*massb); + + if (includeHs_) + { + const fvPatchField& pp = + patch().lookupPatchField(pName_); + + const fvPatchField& Tp = + patch().lookupPatchField(TName_); + + const auto& thermo = db().lookupObject + ( + basicThermo::dictName + ); + + const basicSpecieMixture& composition = thermo.composition(); + + const label speicesId = + thermo.composition().species()[speciesName_]; + + scalarField hsp(this->patch().size(), 0); + + forAll(pp, facei) + { + hsp[facei] = composition.Hs(speicesId, pp[facei], Tp[facei]); + } + + dhdt += hsp*massb; + } + + if (debug) + { + Info<< " Patch enthalpy rate min/max [J/m3/sec]: " + << gMin(dhdt) << " - " << gMax(dhdt) << endl; + } + + return tmp::New(dhdt); +} + + +void Foam::enthalpySorptionFvPatchScalarField::updateCoeffs() +{ + if (updated()) + { + return; + } + + const auto& Yp = + refCast + ( + patch().lookupPatchField + ( + speciesName_ + ) + ); + + switch (enthalpyModel_) + { + case enthalpyModelType::estimated: + { + dhdt_ = -C_*Hvap_; + break; + } + case enthalpyModelType::calculated: + { + // mass [mol/kg] + tmp tmassb = Yp.mass(); + const scalarField& massb = tmassb.ref(); + + forAll(massb, facei) + { + const scalar mfacei = massb[facei]; + + dhdt_[facei] = enthalpyMassLoadPtr_->value(mfacei); + } + break; + } + default: + break; + } + + if (debug) + { + Info<< " Enthalpy change min/max [J/kg]: " + << gMin(dhdt_) << " - " << gMax(dhdt_) << endl; + } + + zeroGradientFvPatchScalarField::updateCoeffs(); +} + + +void Foam::enthalpySorptionFvPatchScalarField::write(Ostream& os) const +{ + fvPatchScalarField::write(os); + + os.writeEntry("enthalpyModel", enthalpyModelTypeNames[enthalpyModel_]); + + if (enthalpyMassLoadPtr_) + { + enthalpyMassLoadPtr_->writeData(os); + } + + os.writeEntry("species", speciesName_); + + os.writeEntryIfDifferent("includeHs", true, includeHs_); + os.writeEntryIfDifferent("C", scalar(0), C_); + os.writeEntryIfDifferent("Hvap", scalar(0), Hvap_); + os.writeEntryIfDifferent("p", "p", pName_); + os.writeEntryIfDifferent("T", "T", TName_); + + dhdt_.writeEntry("dhdt", os); + + writeEntry("value", os); +} + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +namespace Foam +{ + makePatchTypeField + ( + fvPatchScalarField, + enthalpySorptionFvPatchScalarField + ); +} + +// ************************************************************************* // diff --git a/src/thermophysicalModels/reactionThermo/derivedFvPatchFields/enthalpySorption/enthalpySorptionFvPatchScalarField.H b/src/thermophysicalModels/reactionThermo/derivedFvPatchFields/enthalpySorption/enthalpySorptionFvPatchScalarField.H new file mode 100644 index 0000000000..f232c79c71 --- /dev/null +++ b/src/thermophysicalModels/reactionThermo/derivedFvPatchFields/enthalpySorption/enthalpySorptionFvPatchScalarField.H @@ -0,0 +1,284 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | OpenFOAM: The Open Source CFD Toolbox + \\ / O peration | + \\ / A nd | www.openfoam.com + \\/ M anipulation | +------------------------------------------------------------------------------- + Copyright (C) 2022 OpenCFD Ltd. +------------------------------------------------------------------------------- +License + This file is part of OpenFOAM. + + OpenFOAM is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + OpenFOAM is distributed in the hope that it will be useful, but WITHOUT + ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or + FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License + for more details. + + You should have received a copy of the GNU General Public License + along with OpenFOAM. If not, see . + +Class + Foam::enthalpySorptionFvPatchScalarField + +Group + grpGenericBoundaryConditions + +Description + This is a temperature boundary condition which works + in conjunction with the \c speciesSorption condition for species. + + This boundary condition substracts or adds enthalpy associated with the + adsorption provided by the \c speciesSorption condition. + + It can handle two enthalpy models: + + 1) Estimate + 2) Calculated + + On top of this, the enthalpy associated with the sensible enthalpy + corresponding with the species transport can be added using \c includeHs. + +Usage + Example of the boundary condition specification: + \verbatim + + { + // Mandatory entries + type enthalpySorption; + enthalpyModel ; + species ; + + // Conditional mandatory entries + + // when enthalpyModel == calculated + enthalpyTable > + + // enthalpyTable + // { + // type table; + // values ((0 0)(1 50)); + // } + + // Optional entries + includeHs ; + C ; + Hvap ; + dhdt ; + p ; + T ; + } + \endverbatim + + where the entries mean: + \table + Property | Description | Type | Reqd | Deflt + type | Type name: enthalpySorption | word | yes | - + enthalpyModel | Adsorption enthalpy model | word | yes | - + species | Name of associated species | word | yes | - + enthalpyTable | Calculated enthalpy model table | Function1\ | no | - + includeHs | Include sensible enthalpy | bool | no | true + C | Estimate enthalpy model constant | scalar | no | 0 + Hvap | Evaporation heat for species | scalar | no | 0 + p | Name of operand pressure field | word | no | p + T | Name of operand temperature field | word | no | T + dhdt | Enthalpy change on cells next to patch [J/kg] | scalarField | no | Zero + \endtable + + Options for the \c enthalpyModel entry: + \verbatim + estimated | Enthalpy is estimated + calculated | Enthalpy is calculated based on enthalpyTable + \endverbatim + + The inherited entries are elaborated in: + - \link zeroGradientFvPatchFields.H \endlink + - \link Function1.H \endlink + +SourceFiles + enthalpySorptionFvPatchScalarField.C + +\*---------------------------------------------------------------------------*/ + +#ifndef Foam_enthalpySorptionFvPatchScalarField_H +#define Foam_enthalpySorptionFvPatchScalarField_H + +#include "boundarySourcePatch.H" +#include "zeroGradientFvPatchFields.H" +#include "Function1.H" + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +namespace Foam +{ + +/*---------------------------------------------------------------------------*\ + Class enthalpySorptionFvPatchScalarField Declaration +\*---------------------------------------------------------------------------*/ + +class enthalpySorptionFvPatchScalarField +: + public zeroGradientFvPatchField, + public boundarySourcePatch +{ + // Private Enumeration + + //- Options for the enthalpy model + enum enthalpyModelType : char + { + estimated, + calculated + }; + + //- Names for enthalpyModelType + static const Enum enthalpyModelTypeNames; + + + // Private Data + + //- Enthalpy model + enum enthalpyModelType enthalpyModel_; + + //- Include sensible enthalpy of the species + bool includeHs_; + + //- Load enthalpy table for calculated model + autoPtr> enthalpyMassLoadPtr_; + + //- Estimated enthalpy model constant + scalar C_; + + //- Heat of evaporation of species + scalar Hvap_; + + //- Name of operand species field + word speciesName_; + + //- Name of operand pressure field + word pName_; + + //- Name of operand temperature field + word TName_; + + //- Enthalpy change on cells next to patch [J/kg] + scalarField dhdt_; + + +public: + + //- Runtime type information + TypeName("enthalpySorption"); + + + // Constructors + + //- Construct from patch and internal field + enthalpySorptionFvPatchScalarField + ( + const fvPatch&, + const DimensionedField& + ); + + //- Construct from patch, internal field and dictionary + enthalpySorptionFvPatchScalarField + ( + const fvPatch&, + const DimensionedField&, + const dictionary& + ); + + //- Construct by mapping given + //- enthalpySorptionFvPatchScalarField onto a new patch + enthalpySorptionFvPatchScalarField + ( + const enthalpySorptionFvPatchScalarField&, + const fvPatch&, + const DimensionedField&, + const fvPatchFieldMapper& + ); + + //- Construct as copy + enthalpySorptionFvPatchScalarField + ( + const enthalpySorptionFvPatchScalarField& + ); + + //- Construct and return a clone + virtual tmp clone() const + { + return tmp + ( + new enthalpySorptionFvPatchScalarField(*this) + ); + } + + //- Construct as copy setting internal field reference + enthalpySorptionFvPatchScalarField + ( + const enthalpySorptionFvPatchScalarField&, + const DimensionedField& + ); + + //- Construct and return a clone setting internal field reference + virtual tmp clone + ( + const DimensionedField& iF + ) const + { + return tmp + ( + new enthalpySorptionFvPatchScalarField(*this, iF) + ); + } + + + // Member Functions + + // Mapping + + //- Map (and resize as needed) from self given a mapping object + virtual void autoMap + ( + const fvPatchFieldMapper& + ); + + //- Reverse map the given fvPatchField onto this fvPatchField + virtual void rmap + ( + const fvPatchScalarField&, + const labelList& + ); + + + // Evaluation + + //- Source of cells next to the patch + virtual tmp patchSource() const; + + //- Update the coefficients associated with the patch field + virtual void updateCoeffs(); + + + // I-O + + //- Write + virtual void write(Ostream&) const; +}; + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +} // End namespace Foam + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +#endif + +// ************************************************************************* // diff --git a/src/thermophysicalModels/reactionThermo/derivedFvPatchFields/speciesSorption/speciesSorptionFvPatchScalarField.C b/src/thermophysicalModels/reactionThermo/derivedFvPatchFields/speciesSorption/speciesSorptionFvPatchScalarField.C new file mode 100644 index 0000000000..b64b3f2052 --- /dev/null +++ b/src/thermophysicalModels/reactionThermo/derivedFvPatchFields/speciesSorption/speciesSorptionFvPatchScalarField.C @@ -0,0 +1,459 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | OpenFOAM: The Open Source CFD Toolbox + \\ / O peration | + \\ / A nd | www.openfoam.com + \\/ M anipulation | +------------------------------------------------------------------------------- + Copyright (C) 2022 OpenCFD Ltd. +------------------------------------------------------------------------------- +License + This file is part of OpenFOAM. + + OpenFOAM is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + OpenFOAM is distributed in the hope that it will be useful, but WITHOUT + ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or + FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License + for more details. + + You should have received a copy of the GNU General Public License + along with OpenFOAM. If not, see . + +\*---------------------------------------------------------------------------*/ + +#include "speciesSorptionFvPatchScalarField.H" +#include "addToRunTimeSelectionTable.H" +#include "fvPatchFieldMapper.H" +#include "volFields.H" +#include "rhoReactionThermo.H" + +// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * // + +const Foam::Enum +< + Foam::speciesSorptionFvPatchScalarField::equilibriumModelType +> +Foam::speciesSorptionFvPatchScalarField::equilibriumModelTypeNames +({ + { equilibriumModelType::LANGMUIR, "Langmuir" } +}); + + +const Foam::Enum +< + Foam::speciesSorptionFvPatchScalarField::kineticModelType +> +Foam::speciesSorptionFvPatchScalarField::kinematicModelTypeNames +({ + { kineticModelType::PseudoFirstOrder, "PseudoFirstOrder" } +}); + + +// * * * * * * * * * * * * * Private Member Functions * * * * * * * * * * * // + +Foam::tmp +Foam::speciesSorptionFvPatchScalarField::calcMoleFractions() const +{ + auto tMole = tmp::New(patch().size(), 0); + scalarField& Mole = tMole.ref(); + + if (db().foundObject(basicThermo::dictName)) + { + const auto& thermo = db().lookupObject + ( + basicThermo::dictName + ); + + const PtrList& Y = thermo.composition().Y(); + + const volScalarField W(thermo.W()); + + const labelUList& faceCells = patch().faceCells(); + + const label speicesId = + thermo.composition().species()[this->internalField().name()]; + + const dimensionedScalar Wi + ( + dimMass/dimMoles, + thermo.composition().W(speicesId) + ); + + const volScalarField X(W*Y[speicesId]/Wi); + + forAll(faceCells, i) + { + const label cellId = faceCells[i]; + Mole[i] = X[cellId]; + } + } + else + { + FatalErrorInFunction + << "Thermo type is not 'rhoReactionThermo'. " << nl + << "This BC is designed to operate with a rho based thermo." + << exit(FatalError); + } + + return tMole; +} + + +Foam::volScalarField& +Foam::speciesSorptionFvPatchScalarField::field +( + const word& fieldName, + const dimensionSet& dim +) const +{ + const fvMesh& mesh = this->internalField().mesh(); + auto* ptr = mesh.getObjectPtr(fieldName); + + if (!ptr) + { + ptr = new volScalarField + ( + IOobject + ( + fieldName, + mesh.time().timeName(), + mesh, + IOobject::NO_READ, + IOobject::AUTO_WRITE + ), + mesh, + dimensionedScalar(dim, Zero) + ); + + ptr->store(); + } + + return *ptr; +} + + +// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // + +Foam::speciesSorptionFvPatchScalarField::speciesSorptionFvPatchScalarField +( + const fvPatch& p, + const DimensionedField& iF +) +: + zeroGradientFvPatchScalarField(p, iF), + equilibriumModel_(equilibriumModelType::LANGMUIR), + kinematicModel_(kineticModelType::PseudoFirstOrder), + thicknessPtr_(nullptr), + kabs_(1), + kl_(0), + max_(1), + rhoS_(0), + pName_("p"), + dfldp_(p.size(), 0), + mass_(p.size(), 0) +{} + + +Foam::speciesSorptionFvPatchScalarField::speciesSorptionFvPatchScalarField +( + const fvPatch& p, + const DimensionedField& iF, + const dictionary& dict +) +: + zeroGradientFvPatchScalarField(p, iF, dict), + equilibriumModel_(equilibriumModelTypeNames.get("equilibriumModel", dict)), + kinematicModel_(kinematicModelTypeNames.get("kinematicModel", dict)), + thicknessPtr_(PatchFunction1::New(p.patch(), "thickness", dict)), + kabs_(dict.getCheck("kabs", scalarMinMax::ge(0))), + kl_(dict.getCheck("kl", scalarMinMax::ge(0))), + max_(dict.getCheck("max", scalarMinMax::ge(0))), + rhoS_(dict.get("rhoS")), + pName_(dict.getOrDefault("p", "p")), + dfldp_ + ( + dict.found("dfldp") + ? scalarField("dfldp", dict, p.size()) + : scalarField(p.size(), 0) + ), + mass_ + ( + dict.found("mass") + ? scalarField("mass", dict, p.size()) + : scalarField(p.size(), 0) + ) +{ + if (dict.found("value")) + { + fvPatchScalarField::operator= + ( + scalarField("value", dict, p.size()) + ); + } + else + { + fvPatchField::operator=(Zero); + } +} + + +Foam::speciesSorptionFvPatchScalarField::speciesSorptionFvPatchScalarField +( + const speciesSorptionFvPatchScalarField& ptf, + const fvPatch& p, + const DimensionedField& iF, + const fvPatchFieldMapper& mapper +) +: + zeroGradientFvPatchScalarField(ptf, p, iF, mapper), + equilibriumModel_(ptf.equilibriumModel_), + kinematicModel_(ptf.kinematicModel_), + thicknessPtr_(ptf.thicknessPtr_.clone(patch().patch())), + kabs_(ptf.kabs_), + kl_(ptf.kl_), + max_(ptf.max_), + rhoS_(ptf.rhoS_), + pName_(ptf.pName_), + dfldp_(ptf.dfldp_, mapper), + mass_(ptf.mass_, mapper) +{} + + +Foam::speciesSorptionFvPatchScalarField::speciesSorptionFvPatchScalarField +( + const speciesSorptionFvPatchScalarField& ptf +) +: + zeroGradientFvPatchScalarField(ptf), + equilibriumModel_(ptf.equilibriumModel_), + kinematicModel_(ptf.kinematicModel_), + thicknessPtr_(ptf.thicknessPtr_.clone(patch().patch())), + kabs_(ptf.kabs_), + kl_(ptf.kl_), + max_(ptf.max_), + rhoS_(ptf.rhoS_), + pName_(ptf.pName_), + dfldp_(ptf.dfldp_), + mass_(ptf.mass_) +{} + + +Foam::speciesSorptionFvPatchScalarField::speciesSorptionFvPatchScalarField +( + const speciesSorptionFvPatchScalarField& ptf, + const DimensionedField& iF +) +: + zeroGradientFvPatchScalarField(ptf, iF), + equilibriumModel_(ptf.equilibriumModel_), + kinematicModel_(ptf.kinematicModel_), + thicknessPtr_(ptf.thicknessPtr_.clone(patch().patch())), + kabs_(ptf.kabs_), + kl_(ptf.kl_), + max_(ptf.max_), + rhoS_(ptf.rhoS_), + pName_(ptf.pName_), + dfldp_(ptf.dfldp_), + mass_(ptf.mass_) +{} + + +// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * // + +void Foam::speciesSorptionFvPatchScalarField::autoMap +( + const fvPatchFieldMapper& m +) +{ + zeroGradientFvPatchScalarField::autoMap(m); + + dfldp_.autoMap(m); + mass_.autoMap(m); + + if (thicknessPtr_) + { + thicknessPtr_->autoMap(m); + } +} + + +void Foam::speciesSorptionFvPatchScalarField::rmap +( + const fvPatchScalarField& ptf, + const labelList& addr +) +{ + zeroGradientFvPatchScalarField::rmap(ptf, addr); + + const auto& tiptf = refCast(ptf); + + dfldp_.rmap(tiptf.dfldp_, addr); + mass_.rmap(tiptf.mass_, addr); + + if (thicknessPtr_) + { + thicknessPtr_->rmap(tiptf.thicknessPtr_(), addr); + } +} + + +Foam::tmp Foam::speciesSorptionFvPatchScalarField:: +patchSource() const +{ + const auto& thermo = db().lookupObject + ( + basicThermo::dictName + ); + + const label speicesId = + thermo.composition().species()[this->internalField().name()]; + + const scalar Wi(thermo.composition().W(speicesId)); + + const scalar t = db().time().timeOutputValue(); + + const scalarField h(thicknessPtr_->value(t)); + + const scalarField AbyV(this->patch().magSf()); + + // Solid mass [kg] + const scalarField mass(h*AbyV*rhoS_); + + scalarField Vol(this->patch().size()); + + forAll(AbyV, facei) + { + const label faceCelli = this->patch().faceCells()[facei]; + Vol[facei] = this->internalField().mesh().V()[faceCelli]; + } + + // The moles absorbed by the solid + // dfldp[mol/kg/sec]* mass[kg]* Wi[kg/mol] / Vol[m3]= [kg/sec/m3] + const scalarField dfldp(-dfldp_*mass*Wi*1e-3/Vol); + + if (debug) + { + Info<< " Patch mass rate min/max [kg/m3/sec]: " + << gMin(dfldp) << " - " << gMax(dfldp) << endl; + } + + return tmp::New(dfldp); +} + + +Foam::tmp Foam::speciesSorptionFvPatchScalarField:: +mass() const +{ + return tmp::New(mass_); +} + + +void Foam::speciesSorptionFvPatchScalarField::updateCoeffs() +{ + if (updated()) + { + return; + } + + // equilibrium in mol/kg + scalarField cEq(patch().size(), 0); + + switch (equilibriumModel_) + { + case equilibriumModelType::LANGMUIR: + { + // mole fraction + tmp tco = calcMoleFractions(); + + const fvPatchField& pp = + patch().lookupPatchField(pName_); + + cEq = max_*(kl_*tco()*pp/(1 + kl_*tco()*pp)); + break; + } + default: + break; + } + + // source [mol/kg/sec] + dfldp_ = Zero; + + switch (kinematicModel_) + { + case kineticModelType::PseudoFirstOrder: + { + dfldp_ = kabs_*(cEq - mass_); + } + default: + break; + } + + // mass [mol/kg] + const scalar dt = db().time().deltaTValue(); + mass_ += dfldp_*dt; + mass_ = max(mass_, scalar(0)); + + scalarField& pMass = + field + ( + "absorbedMass" + this->internalField().name(), + dimensionSet(dimMoles/dimMass) + ).boundaryFieldRef()[patch().index()]; + + pMass = mass_; + + if (debug) + { + Info<< " Absorption rate min/max [mol/kg/sec]: " + << gMin(dfldp_) << " - " << gMax(dfldp_) << endl; + } + + zeroGradientFvPatchScalarField::updateCoeffs(); +} + + +void Foam::speciesSorptionFvPatchScalarField::write(Ostream& os) const +{ + fvPatchScalarField::write(os); + + os.writeEntry + ( + "equilibriumModel", equilibriumModelTypeNames[equilibriumModel_] + ); + os.writeEntry + ( + "kinematicModel", kinematicModelTypeNames[kinematicModel_] + ); + if (thicknessPtr_) + { + thicknessPtr_->writeData(os); + } + os.writeEntry("kabs", kabs_); + os.writeEntry("kl", kl_); + os.writeEntry("max", max_); + os.writeEntry("rhoS", rhoS_); + + dfldp_.writeEntry("dfldp", os); + mass_.writeEntry("mass", os); + os.writeEntryIfDifferent("p", "p", pName_); + + writeEntry("value", os); +} + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +namespace Foam +{ + makePatchTypeField + ( + fvPatchScalarField, + speciesSorptionFvPatchScalarField + ); +} + +// ************************************************************************* // diff --git a/src/thermophysicalModels/reactionThermo/derivedFvPatchFields/speciesSorption/speciesSorptionFvPatchScalarField.H b/src/thermophysicalModels/reactionThermo/derivedFvPatchFields/speciesSorption/speciesSorptionFvPatchScalarField.H new file mode 100644 index 0000000000..140492c752 --- /dev/null +++ b/src/thermophysicalModels/reactionThermo/derivedFvPatchFields/speciesSorption/speciesSorptionFvPatchScalarField.H @@ -0,0 +1,322 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | OpenFOAM: The Open Source CFD Toolbox + \\ / O peration | + \\ / A nd | www.openfoam.com + \\/ M anipulation | +------------------------------------------------------------------------------- + Copyright (C) 2022 OpenCFD Ltd. +------------------------------------------------------------------------------- +License + This file is part of OpenFOAM. + + OpenFOAM is free software: you can redistribute it and/or modify it + under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + OpenFOAM is distributed in the hope that it will be useful, but WITHOUT + ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or + FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License + for more details. + + You should have received a copy of the GNU General Public License + along with OpenFOAM. If not, see . + +Class + Foam::speciesSorptionFvPatchScalarField + +Group + grpGenericBoundaryConditions + +Description + This boundary condition provides a first-order zero-gradient + condition for a given scalar field to model time-dependent + adsorption-desorption processes. + + \f[ + \frac{d c}{d t} = k_{ads} (c_{eq} - c_{abs}) + \f] + + where + \vartable + c_{eq} | Equilibrium concentration + c_{abs} | Absorbed at wall + k_{ads} | Adsorption rate constant [1/s] + \endvartable + + \f[ + c_{eq} = c_{max} \frac{k_l \, c_{int}}{1 + k_l \, c_{int}} + \f] + + where + \vartable + c_{max} | Maximum concentration + k_l | Langmuir constant + c_{int} | Local cell value concentration + \endvartable + +Usage + Example of the boundary condition specification: + \verbatim + + { + // Mandatory entries + type speciesSorption; + equilibriumModel ; + kinematicModel ; + kabs ; + kl ; + max ; + thickness >; + rhoS ; + + // Optional entries + dfldp ; + mass ; + pName ; + + // Inherited entries + ... + } + \endverbatim + + where the entries mean: + \table + Property | Description | Type | Reqd | Deflt + type | Type name: speciesSorption | word | yes | - + equilibriumModel | Equilibrium model | word | yes | - + kinematicModel | Kinematic model | word | yes | - + kabs | Adsorption rate constant [1/s] | scalar | yes | - + kl | Langmuir constant [1/Pa] | scalar | yes | - + max | Maximum concentation at wall [mol/kg] | scalar | yes | - + thickness| Solid thickness along the patch | PatchFunction1\ | yes | - + rhoS | Solid density | scalar | yes | - + dfldp | Source on cells next to patch | scalarField | no | Zero + mass | Absorbed mass per kg of absorbent [mol/kg] | scalarField | no | Zero + pName | Name of operand pressure field | word | no | p + \endtable + + Options for the \c equilibriumModel entry: + \verbatim + Langmuir | Langmuir model + \endverbatim + + Options for the \c kinematicModel entry: + \verbatim + PseudoFirstOrder | Pseudo first-order model + \endverbatim + + The inherited entries are elaborated in: + - \link zeroGradientFvPatchFields.H \endlink + - \link PatchFunction1.H \endlink + +SourceFiles + speciesSorptionFvPatchScalarField.C + +\*---------------------------------------------------------------------------*/ + +#ifndef Foam_speciesSorptionFvPatchScalarField_H +#define Foam_speciesSorptionFvPatchScalarField_H + +#include "boundarySourcePatch.H" +#include "zeroGradientFvPatchFields.H" +#include "PatchFunction1.H" + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +namespace Foam +{ + +/*---------------------------------------------------------------------------*\ + Class speciesSorptionFvPatchScalarField Declaration +\*---------------------------------------------------------------------------*/ + +class speciesSorptionFvPatchScalarField +: + public zeroGradientFvPatchField, + public boundarySourcePatch +{ +public: + + // Public Enumeration + + //- Options for the equilibrum model + enum equilibriumModelType : char + { + LANGMUIR = 0 + }; + + //- Options for the kinematic model + enum kineticModelType : char + { + PseudoFirstOrder = 0 + }; + + //- Names for equilibriumModelType + static const Enum equilibriumModelTypeNames; + + //- Names for kineticModelType + static const Enum kinematicModelTypeNames; + + +private: + + // Private Data + + //- Equilibrium model + enum equilibriumModelType equilibriumModel_; + + //- Kinematic model + enum kineticModelType kinematicModel_; + + //- Solid thickness along the patch + autoPtr> thicknessPtr_; + + //- Adsorption rate constant [1/sec] + scalar kabs_; + + //- Langmuir adsorption constant [1/Pa] + scalar kl_; + + //- Maximum density on patch [mol/kg] + scalar max_; + + //- Solid density + scalar rhoS_; + + //- Name of operand pressure field + word pName_; + + //- Source on cells next to patch [mol/kg/sec] + scalarField dfldp_; + + //- Absorbed mass per kg of absorbent [mol/kg] + scalarField mass_; + + + // Private Member Functions + + //- Calculate the mole fraction fields + tmp calcMoleFractions() const; + + //- Lookup (or create) field for output + volScalarField& field(const word&, const dimensionSet&) const; + + +public: + + //- Runtime type information + TypeName("speciesSorption"); + + + // Constructors + + //- Construct from patch and internal field + speciesSorptionFvPatchScalarField + ( + const fvPatch&, + const DimensionedField& + ); + + //- Construct from patch, internal field and dictionary + speciesSorptionFvPatchScalarField + ( + const fvPatch&, + const DimensionedField&, + const dictionary& + ); + + //- Construct by mapping given + //- speciesSorptionFvPatchScalarField onto a new patch + speciesSorptionFvPatchScalarField + ( + const speciesSorptionFvPatchScalarField&, + const fvPatch&, + const DimensionedField&, + const fvPatchFieldMapper& + ); + + //- Construct as copy + speciesSorptionFvPatchScalarField + ( + const speciesSorptionFvPatchScalarField& + ); + + //- Construct and return a clone + virtual tmp clone() const + { + return tmp + ( + new speciesSorptionFvPatchScalarField(*this) + ); + } + + //- Construct as copy setting internal field reference + speciesSorptionFvPatchScalarField + ( + const speciesSorptionFvPatchScalarField&, + const DimensionedField& + ); + + //- Construct and return a clone setting internal field reference + virtual tmp clone + ( + const DimensionedField& iF + ) const + { + return tmp + ( + new speciesSorptionFvPatchScalarField(*this, iF) + ); + } + + + // Member Functions + + // Mapping + + //- Map (and resize as needed) from self given a mapping object + virtual void autoMap + ( + const fvPatchFieldMapper& + ); + + //- Reverse map the given fvPatchField onto this fvPatchField + virtual void rmap + ( + const fvPatchScalarField&, + const labelList& + ); + + + // Evaluation + + //- Source of cells next to the patch + virtual tmp patchSource() const; + + //- Access to mass + tmp mass() const; + + //- Update the coefficients associated with the patch field + virtual void updateCoeffs(); + + + // I-O + + //- Write + virtual void write(Ostream&) const; +}; + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +} // End namespace Foam + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +#endif + +// ************************************************************************* // diff --git a/tutorials/combustion/rhoReactingFoam/groundAbsorption/0.orig/CH4 b/tutorials/combustion/rhoReactingFoam/groundAbsorption/0.orig/CH4 new file mode 100644 index 0000000000..5b70d8312c --- /dev/null +++ b/tutorials/combustion/rhoReactingFoam/groundAbsorption/0.orig/CH4 @@ -0,0 +1,51 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: v2106 | +| \\ / A nd | Website: www.openfoam.com | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + object CH4; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 0 0 0 0]; + +internalField uniform 0; + +boundaryField +{ + "(outlet|sides)" + { + type inletOutlet; + inletValue $internalField; + value $internalField; + } + + base + { + type speciesSorption; + equilibriumModel Langmuir; + kinematicModel PseudoFirstOrder; + kabs 10; // [1/sec] + kl 0.01; //[1/mol] + max 0.1; // [mol/Kg] + thickness uniform 1e-3; + rhoS 2000; + value $internalField; + } + + inlet + { + type fixedValue; + value uniform 1.0; + } +} + + +// ************************************************************************* // diff --git a/tutorials/combustion/rhoReactingFoam/groundAbsorption/0.orig/N2 b/tutorials/combustion/rhoReactingFoam/groundAbsorption/0.orig/N2 new file mode 100644 index 0000000000..a504cfaaca --- /dev/null +++ b/tutorials/combustion/rhoReactingFoam/groundAbsorption/0.orig/N2 @@ -0,0 +1,43 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: v2106 | +| \\ / A nd | Website: www.openfoam.com | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + object N2; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 0 0 0 0]; + +internalField uniform 0.76699; + +boundaryField +{ + "(outlet|sides)" + { + type calculated; + value $internalField; + } + + base + { + type calculated; + value $internalField; + } + + inlet + { + type calculated; + value uniform 0; + } +} + + +// ************************************************************************* // diff --git a/tutorials/combustion/rhoReactingFoam/groundAbsorption/0.orig/O2 b/tutorials/combustion/rhoReactingFoam/groundAbsorption/0.orig/O2 new file mode 100644 index 0000000000..1d71259408 --- /dev/null +++ b/tutorials/combustion/rhoReactingFoam/groundAbsorption/0.orig/O2 @@ -0,0 +1,43 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: v2106 | +| \\ / A nd | Website: www.openfoam.com | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + object O2; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 0 0 0 0]; + +internalField uniform 0.23301; + +boundaryField +{ + "(outlet|sides)" + { + type inletOutlet; + inletValue $internalField; + value $internalField; + } + + base + { + type zeroGradient; + } + + inlet + { + type fixedValue; + value uniform 0; + } +} + + +// ************************************************************************* // diff --git a/tutorials/combustion/rhoReactingFoam/groundAbsorption/0.orig/T b/tutorials/combustion/rhoReactingFoam/groundAbsorption/0.orig/T new file mode 100644 index 0000000000..b7291aa2f5 --- /dev/null +++ b/tutorials/combustion/rhoReactingFoam/groundAbsorption/0.orig/T @@ -0,0 +1,60 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: v2106 | +| \\ / A nd | Website: www.openfoam.com | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + object T; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 1 0 0 0]; + +internalField uniform 300; + +boundaryField +{ + "(outlet|sides)" + { + type inletOutlet; + inletValue $internalField; + value $internalField; + } + + base + { +// type zeroGradient; + + type enthalpySorption; + enthalpyModel calculated; + enthalpyTable + { + type table; + values + ( + (0 0) + (1e-2 1e4) + (4e-2 2e4) + ); + } + species CH4; + includeHs true; + Hvap 1e6; + value $internalField; + } + + inlet + { + type fixedValue; + value uniform 300; + } +} + + +// ************************************************************************* // diff --git a/tutorials/combustion/rhoReactingFoam/groundAbsorption/0.orig/U b/tutorials/combustion/rhoReactingFoam/groundAbsorption/0.orig/U new file mode 100644 index 0000000000..e30eae8ffb --- /dev/null +++ b/tutorials/combustion/rhoReactingFoam/groundAbsorption/0.orig/U @@ -0,0 +1,43 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: v2106 | +| \\ / A nd | Website: www.openfoam.com | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volVectorField; + object U; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 1 -1 0 0 0 0]; + +internalField uniform (0 0 0); + +boundaryField +{ + "(outlet|sides)" + { + type pressureInletOutletVelocity; + value uniform (0 0 0); + } + + base + { + type fixedValue; + value uniform (0 0.01 0); + } + + inlet + { + type fixedValue; + value uniform (0 0.01 0); + } +} + + +// ************************************************************************* // diff --git a/tutorials/combustion/rhoReactingFoam/groundAbsorption/0.orig/Ydefault b/tutorials/combustion/rhoReactingFoam/groundAbsorption/0.orig/Ydefault new file mode 100644 index 0000000000..78820becc3 --- /dev/null +++ b/tutorials/combustion/rhoReactingFoam/groundAbsorption/0.orig/Ydefault @@ -0,0 +1,43 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: v2106 | +| \\ / A nd | Website: www.openfoam.com | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + object Ydefault; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 0 0 0 0]; + +internalField uniform 0; + +boundaryField +{ + "(outlet|sides)" + { + type inletOutlet; + inletValue $internalField; + value $internalField; + } + + base + { + type zeroGradient; + } + + inlet + { + type fixedValue; + value uniform 0; + } +} + + +// ************************************************************************* // diff --git a/tutorials/combustion/rhoReactingFoam/groundAbsorption/0.orig/alphat b/tutorials/combustion/rhoReactingFoam/groundAbsorption/0.orig/alphat new file mode 100644 index 0000000000..78c5dc00fd --- /dev/null +++ b/tutorials/combustion/rhoReactingFoam/groundAbsorption/0.orig/alphat @@ -0,0 +1,40 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: v2106 | +| \\ / A nd | Website: www.openfoam.com | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + object alphat; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -1 0 0 0 0]; + +internalField uniform 0; + +boundaryField +{ + "(outlet|sides)" + { + type zeroGradient; + } + + base + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/combustion/rhoReactingFoam/groundAbsorption/0.orig/k b/tutorials/combustion/rhoReactingFoam/groundAbsorption/0.orig/k new file mode 100644 index 0000000000..aa8b891e24 --- /dev/null +++ b/tutorials/combustion/rhoReactingFoam/groundAbsorption/0.orig/k @@ -0,0 +1,43 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: v2106 | +| \\ / A nd | Website: www.openfoam.com | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + object k; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 2 -2 0 0 0 0]; + +internalField uniform 1e-4; + +boundaryField +{ + "(outlet|sides)" + { + type inletOutlet; + inletValue $internalField; + value $internalField; + } + + base + { + type zeroGradient; + } + + inlet + { + type fixedValue; + value $internalField; + } +} + + +// ************************************************************************* // diff --git a/tutorials/combustion/rhoReactingFoam/groundAbsorption/0.orig/nut b/tutorials/combustion/rhoReactingFoam/groundAbsorption/0.orig/nut new file mode 100644 index 0000000000..30cf622e62 --- /dev/null +++ b/tutorials/combustion/rhoReactingFoam/groundAbsorption/0.orig/nut @@ -0,0 +1,40 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: v2106 | +| \\ / A nd | Website: www.openfoam.com | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + object nut; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 2 -1 0 0 0 0]; + +internalField uniform 0; + +boundaryField +{ + "(outlet|sides)" + { + type zeroGradient; + } + + base + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/combustion/rhoReactingFoam/groundAbsorption/0.orig/p b/tutorials/combustion/rhoReactingFoam/groundAbsorption/0.orig/p new file mode 100644 index 0000000000..803c58ab46 --- /dev/null +++ b/tutorials/combustion/rhoReactingFoam/groundAbsorption/0.orig/p @@ -0,0 +1,44 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: v2106 | +| \\ / A nd | Website: www.openfoam.com | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + object p; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -2 0 0 0 0]; + +internalField uniform 101325; + +boundaryField +{ + "(outlet|sides)" + { + type totalPressure; + p0 $internalField; + value $internalField; + } + + base + { + type fixedFluxPressure; + value $internalField; + } + + inlet + { + type fixedFluxPressure; + value $internalField; + } +} + + +// ************************************************************************* // diff --git a/tutorials/combustion/rhoReactingFoam/groundAbsorption/0.orig/p_rgh b/tutorials/combustion/rhoReactingFoam/groundAbsorption/0.orig/p_rgh new file mode 100644 index 0000000000..d9eff58f7b --- /dev/null +++ b/tutorials/combustion/rhoReactingFoam/groundAbsorption/0.orig/p_rgh @@ -0,0 +1,45 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: v2106 | +| \\ / A nd | Website: www.openfoam.com | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + object p_rgh; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -2 0 0 0 0]; + +internalField uniform 0; + +boundaryField +{ + "(outlet|sides)" + { + type prghTotalHydrostaticPressure; + p0 $internalField; + gamma 1; + value $internalField; + } + + base + { + type fixedFluxPressure; + value $internalField; + } + + inlet + { + type fixedFluxPressure; + value $internalField; + } +} + + +// ************************************************************************* // diff --git a/tutorials/combustion/rhoReactingFoam/groundAbsorption/Allclean b/tutorials/combustion/rhoReactingFoam/groundAbsorption/Allclean new file mode 100755 index 0000000000..95f16ccfd2 --- /dev/null +++ b/tutorials/combustion/rhoReactingFoam/groundAbsorption/Allclean @@ -0,0 +1,10 @@ +#!/bin/sh +cd "${0%/*}" || exit # Run from this directory +. ${WM_PROJECT_DIR:?}/bin/tools/CleanFunctions # Tutorial clean functions +#------------------------------------------------------------------------------ + +cleanCase0 + +rm -Rf oldProcessors + +#------------------------------------------------------------------------------ diff --git a/tutorials/combustion/rhoReactingFoam/groundAbsorption/Allrun b/tutorials/combustion/rhoReactingFoam/groundAbsorption/Allrun new file mode 100755 index 0000000000..14976575b2 --- /dev/null +++ b/tutorials/combustion/rhoReactingFoam/groundAbsorption/Allrun @@ -0,0 +1,35 @@ +#!/bin/sh +cd "${0%/*}" || exit # Run from this directory +. ${WM_PROJECT_DIR:?}/bin/tools/RunFunctions # Tutorial run functions +#------------------------------------------------------------------------------ + +restore0Dir + +runApplication blockMesh + +runApplication topoSet + +runApplication createPatch -overwrite + +runApplication decomposePar -force + +runParallel $(getApplication) + +runApplication reconstructPar + + +latestTime=$(foamListTimes -latestTime) + +mv -f "$latestTime" "$latestTime".bak + +mkdir oldProcessors + +mv -f processor* oldProcessors + +runParallel -s "decompose" redistributePar -decompose -latestTime + +runParallel -s "restart" $(getApplication) + +runParallel -s "reconstruct" redistributePar -reconstruct -latestTime + +#------------------------------------------------------------------------------ diff --git a/tutorials/combustion/rhoReactingFoam/groundAbsorption/constant/chemistryProperties b/tutorials/combustion/rhoReactingFoam/groundAbsorption/constant/chemistryProperties new file mode 100644 index 0000000000..b56ed38d71 --- /dev/null +++ b/tutorials/combustion/rhoReactingFoam/groundAbsorption/constant/chemistryProperties @@ -0,0 +1,27 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: v2106 | +| \\ / A nd | Website: www.openfoam.com | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + object chemistryProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +chemistryType +{ + solver noChemistrySolver; +} + +chemistry off; + +initialChemicalTimeStep 1e-07; + + +// ************************************************************************* // diff --git a/tutorials/combustion/rhoReactingFoam/groundAbsorption/constant/combustionProperties b/tutorials/combustion/rhoReactingFoam/groundAbsorption/constant/combustionProperties new file mode 100644 index 0000000000..e901e39609 --- /dev/null +++ b/tutorials/combustion/rhoReactingFoam/groundAbsorption/constant/combustionProperties @@ -0,0 +1,29 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: v2106 | +| \\ / A nd | Website: www.openfoam.com | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + object combustionProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +combustionModel laminar; + +EDMCoeffs +{ + semiImplicit no; + Cd 1; + CEDC 1; +} + +active off; + + +// ************************************************************************* // diff --git a/tutorials/combustion/rhoReactingFoam/groundAbsorption/constant/fvOptions b/tutorials/combustion/rhoReactingFoam/groundAbsorption/constant/fvOptions new file mode 100644 index 0000000000..ee5e0378b0 --- /dev/null +++ b/tutorials/combustion/rhoReactingFoam/groundAbsorption/constant/fvOptions @@ -0,0 +1,32 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: v2106 | +| \\ / A nd | Website: www.openfoam.com | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + object fvOptions; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +patchCellsMassSource +{ + type patchCellsSource; + species CH4; + active true; +} + +patchCellsEnthalpySource +{ + type patchCellsSource; + he h; + active true; +} + + +// ************************************************************************* // diff --git a/tutorials/combustion/rhoReactingFoam/groundAbsorption/constant/g b/tutorials/combustion/rhoReactingFoam/groundAbsorption/constant/g new file mode 100644 index 0000000000..c08dfd97b4 --- /dev/null +++ b/tutorials/combustion/rhoReactingFoam/groundAbsorption/constant/g @@ -0,0 +1,21 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: v2106 | +| \\ / A nd | Website: www.openfoam.com | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class uniformDimensionedVectorField; + object g; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 1 -2 0 0 0 0]; +value (0 -9.8 0); + + +// ************************************************************************* // diff --git a/tutorials/combustion/rhoReactingFoam/groundAbsorption/constant/reactions b/tutorials/combustion/rhoReactingFoam/groundAbsorption/constant/reactions new file mode 100644 index 0000000000..ec91b149f2 --- /dev/null +++ b/tutorials/combustion/rhoReactingFoam/groundAbsorption/constant/reactions @@ -0,0 +1,12 @@ +species +( + O2 + H2O + CH4 + CO2 + N2 +); + +reactions +{ +} diff --git a/tutorials/combustion/rhoReactingFoam/groundAbsorption/constant/surfaceFilmProperties b/tutorials/combustion/rhoReactingFoam/groundAbsorption/constant/surfaceFilmProperties new file mode 100644 index 0000000000..322a327a2f --- /dev/null +++ b/tutorials/combustion/rhoReactingFoam/groundAbsorption/constant/surfaceFilmProperties @@ -0,0 +1,24 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: v2106 | +| \\ / A nd | Website: www.openfoam.com | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + object surfaceFilmProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +surfaceFilmModel none; + +region none; + +active false; + + +// ************************************************************************* // \ No newline at end of file diff --git a/tutorials/combustion/rhoReactingFoam/groundAbsorption/constant/thermo.compressibleGas b/tutorials/combustion/rhoReactingFoam/groundAbsorption/constant/thermo.compressibleGas new file mode 100644 index 0000000000..3da131e5c2 --- /dev/null +++ b/tutorials/combustion/rhoReactingFoam/groundAbsorption/constant/thermo.compressibleGas @@ -0,0 +1,144 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: v2106 | +| \\ / A nd | Website: www.openfoam.com | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + object thermo.compressibleGas; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +O2 +{ + specie + { + molWeight 31.9988; + } + thermodynamics + { + Tlow 200; + Thigh 5000; + Tcommon 1000; + highCpCoeffs ( 3.69758 0.00061352 -1.25884e-07 1.77528e-11 -1.13644e-15 -1233.93 3.18917 ); + lowCpCoeffs ( 3.21294 0.00112749 -5.75615e-07 1.31388e-09 -8.76855e-13 -1005.25 6.03474 ); + } + transport + { + As 1.67212e-06; + Ts 170.672; + } +} + +H2O +{ + specie + { + molWeight 18.0153; + } + thermodynamics + { + Tlow 200; + Thigh 5000; + Tcommon 1000; + highCpCoeffs ( 2.67215 0.00305629 -8.73026e-07 1.201e-10 -6.39162e-15 -29899.2 6.86282 ); + lowCpCoeffs ( 3.38684 0.00347498 -6.3547e-06 6.96858e-09 -2.50659e-12 -30208.1 2.59023 ); + } + transport + { + As 1.67212e-06; + Ts 170.672; + } +} + +CH4 +{ + specie + { + molWeight 16.0428; + } + thermodynamics + { + Tlow 200; + Thigh 6000; + Tcommon 1000; + highCpCoeffs ( 1.63543 0.0100844 -3.36924e-06 5.34973e-10 -3.15528e-14 -10005.6 9.9937 ); + lowCpCoeffs ( 5.14988 -0.013671 4.91801e-05 -4.84744e-08 1.66694e-11 -10246.6 -4.64132 ); + } + transport + { + As 1.67212e-06; + Ts 170.672; + } +} + +CO2 +{ + specie + { + molWeight 44.01; + } + thermodynamics + { + Tlow 200; + Thigh 5000; + Tcommon 1000; + highCpCoeffs ( 4.45362 0.00314017 -1.27841e-06 2.394e-10 -1.66903e-14 -48967 -0.955396 ); + lowCpCoeffs ( 2.27572 0.00992207 -1.04091e-05 6.86669e-09 -2.11728e-12 -48373.1 10.1885 ); + } + transport + { + As 1.67212e-06; + Ts 170.672; + } +} + +N2 +{ + specie + { + molWeight 28.0134; + } + thermodynamics + { + Tlow 200; + Thigh 5000; + Tcommon 1000; + highCpCoeffs ( 2.92664 0.00148798 -5.68476e-07 1.0097e-10 -6.75335e-15 -922.798 5.98053 ); + lowCpCoeffs ( 3.29868 0.00140824 -3.96322e-06 5.64152e-09 -2.44486e-12 -1020.9 3.95037 ); + } + transport + { + As 1.67212e-06; + Ts 170.672; + } +} + +CO +{ + specie + { + molWeight 28.0106; + } + thermodynamics + { + Tlow 200; + Thigh 6000; + Tcommon 1000; + highCpCoeffs ( 3.04849 0.00135173 -4.85794e-07 7.88536e-11 -4.69807e-15 -14266.1 6.0171 ); + lowCpCoeffs ( 3.57953 -0.000610354 1.01681e-06 9.07006e-10 -9.04424e-13 -14344.1 3.50841 ); + } + transport + { + As 1.67212e-06; + Ts 170.672; + } +} + + +// ************************************************************************* // diff --git a/tutorials/combustion/rhoReactingFoam/groundAbsorption/constant/thermophysicalProperties b/tutorials/combustion/rhoReactingFoam/groundAbsorption/constant/thermophysicalProperties new file mode 100644 index 0000000000..52bb717df9 --- /dev/null +++ b/tutorials/combustion/rhoReactingFoam/groundAbsorption/constant/thermophysicalProperties @@ -0,0 +1,39 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: v2106 | +| \\ / A nd | Website: www.openfoam.com | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + object thermophysicalProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +thermoType +{ + type heRhoThermo; + mixture reactingMixture; + transport sutherland; + thermo janaf; + energy sensibleEnthalpy; + equationOfState perfectGas; + specie specie; +} + +inertSpecie N2; + +fuel CH4; + +chemistryReader foamChemistryReader; + +foamChemistryFile "/reactions"; + +foamChemistryThermoFile "/thermo.compressibleGas"; + + +// ************************************************************************* // diff --git a/tutorials/combustion/rhoReactingFoam/groundAbsorption/constant/turbulenceProperties b/tutorials/combustion/rhoReactingFoam/groundAbsorption/constant/turbulenceProperties new file mode 100644 index 0000000000..15113f55f9 --- /dev/null +++ b/tutorials/combustion/rhoReactingFoam/groundAbsorption/constant/turbulenceProperties @@ -0,0 +1,20 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: v2106 | +| \\ / A nd | Website: www.openfoam.com | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + object turbulenceProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +simulationType laminar; + + +// ************************************************************************* // diff --git a/tutorials/combustion/rhoReactingFoam/groundAbsorption/system/blockMeshDict b/tutorials/combustion/rhoReactingFoam/groundAbsorption/system/blockMeshDict new file mode 100644 index 0000000000..e1b9fbef60 --- /dev/null +++ b/tutorials/combustion/rhoReactingFoam/groundAbsorption/system/blockMeshDict @@ -0,0 +1,73 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: v2106 | +| \\ / A nd | Website: www.openfoam.com | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + object blockMeshDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +scale 1; + +vertices +( + (-0.5 0 -0.5) + ( 0.5 0 -0.5) + ( 0.5 1.0 -0.5) + (-0.5 1.0 -0.5) + (-0.5 0 0.5) + ( 0.5 0 0.5) + ( 0.5 1.0 0.5) + (-0.5 1.0 0.5) + +); + +blocks +( + hex (0 1 2 3 4 5 6 7) (60 60 60) simpleGrading (1 1 1) +); + +edges +( +); + +boundary +( + base + { + type patch; + faces + ( + (0 1 5 4) + ); + } + outlet + { + type patch; + faces + ( + (3 2 6 7) + ); + } + sides + { + type patch; + faces + ( + (0 4 7 3) + (0 1 2 3) + (1 5 6 2) + (4 5 6 7) + ); + } +); + + +// ************************************************************************* // diff --git a/tutorials/combustion/rhoReactingFoam/groundAbsorption/system/controlDict b/tutorials/combustion/rhoReactingFoam/groundAbsorption/system/controlDict new file mode 100644 index 0000000000..ee1d14fde8 --- /dev/null +++ b/tutorials/combustion/rhoReactingFoam/groundAbsorption/system/controlDict @@ -0,0 +1,56 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: v2106 | +| \\ / A nd | Website: www.openfoam.com | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + object controlDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +application rhoReactingFoam; + +startFrom latestTime; + +startTime 0.0; + +stopAt endTime; + +endTime 2.0; + +deltaT 0.001; + +writeControl adjustable; + +writeInterval 0.1; + +purgeWrite 0; + +writeFormat ascii; + +writePrecision 6; + +writeCompression off; + +timeFormat general; + +timePrecision 6; + +graphFormat raw; + +runTimeModifiable yes; + +adjustTimeStep yes; + +maxCo 0.6; + +maxDeltaT 0.1; + + +// ************************************************************************* // diff --git a/tutorials/combustion/rhoReactingFoam/groundAbsorption/system/createPatchDict b/tutorials/combustion/rhoReactingFoam/groundAbsorption/system/createPatchDict new file mode 100644 index 0000000000..a0056784a9 --- /dev/null +++ b/tutorials/combustion/rhoReactingFoam/groundAbsorption/system/createPatchDict @@ -0,0 +1,43 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: v2106 | +| \\ / A nd | Website: www.openfoam.com | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + object createPatchDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +pointSync false; + +patches +( + { + // Name of new patch + name inlet; + + // Type of new patch + patchInfo + { + type patch; + } + + // How to construct: either from 'patches' or 'set' + constructFrom set; + + // If constructFrom = patches : names of patches. Wildcards allowed. + patches ("periodic.*"); + + // If constructFrom = set : name of faceSet + set f0; + } +); + + +// ************************************************************************* // diff --git a/tutorials/combustion/rhoReactingFoam/groundAbsorption/system/decomposeParDict b/tutorials/combustion/rhoReactingFoam/groundAbsorption/system/decomposeParDict new file mode 100644 index 0000000000..cbbbabb8fe --- /dev/null +++ b/tutorials/combustion/rhoReactingFoam/groundAbsorption/system/decomposeParDict @@ -0,0 +1,27 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: v2106 | +| \\ / A nd | Website: www.openfoam.com | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + object decomposeParDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +numberOfSubdomains 4; + +method hierarchical; + +coeffs +{ + n (1 2 2); +} + + +// ************************************************************************* // diff --git a/tutorials/combustion/rhoReactingFoam/groundAbsorption/system/fvSchemes b/tutorials/combustion/rhoReactingFoam/groundAbsorption/system/fvSchemes new file mode 100644 index 0000000000..5986b01c85 --- /dev/null +++ b/tutorials/combustion/rhoReactingFoam/groundAbsorption/system/fvSchemes @@ -0,0 +1,64 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: v2106 | +| \\ / A nd | Website: www.openfoam.com | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + object fvSchemes; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +ddtSchemes +{ + default Euler; +} + +gradSchemes +{ + default Gauss linear; +} + +divSchemes +{ + default none; + + div(phi,U) Gauss LUST grad(U); + + div(phi,K) Gauss linear; + div(phi,k) Gauss limitedLinear 1; + div(phi,Yi_h) Gauss multivariateSelection + { + O2 limitedLinear01 1; + CH4 limitedLinear01 1; + N2 limitedLinear01 1; + H2O limitedLinear01 1; + CO2 limitedLinear01 1; + h limitedLinear 1; + }; + div(((rho*nuEff)*dev2(T(grad(U))))) Gauss linear; + div(Ji,Ii_h) Gauss upwind; +} + +laplacianSchemes +{ + default Gauss linear corrected; +} + +interpolationSchemes +{ + default linear; +} + +snGradSchemes +{ + default corrected; +} + + +// ************************************************************************* // diff --git a/tutorials/combustion/rhoReactingFoam/groundAbsorption/system/fvSolution b/tutorials/combustion/rhoReactingFoam/groundAbsorption/system/fvSolution new file mode 100644 index 0000000000..a5071c1ac1 --- /dev/null +++ b/tutorials/combustion/rhoReactingFoam/groundAbsorption/system/fvSolution @@ -0,0 +1,75 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: v2106 | +| \\ / A nd | Website: www.openfoam.com | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + object fvSolution; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +solvers +{ + "(rho|rhoFinal)" + { + solver diagonal; + }; + + p + { + solver GAMG; + tolerance 1e-6; + relTol 0.1; + smoother GaussSeidel; + }; + + pFinal + { + $p; + tolerance 1e-6; + relTol 0; + maxIter 100; + }; + + "(U|Yi|k|h)" + { + solver PBiCGStab; + preconditioner DILU; + tolerance 1e-6; + relTol 0.1; + nSweeps 1; + }; + + "(U|Yi|k|h)Final" + { + $U; + tolerance 1e-6; + relTol 0; + }; +} + +PIMPLE +{ + momentumPredictor yes; + nOuterCorrectors 1; + nCorrectors 2; + nNonOrthogonalCorrectors 0; +} + +relaxationFactors +{ + equations + { + "(U|k).*" 1; + "(CH4|O2|H2O|CO2|h).*" 1; + } +} + + +// ************************************************************************* // diff --git a/tutorials/combustion/rhoReactingFoam/groundAbsorption/system/topoSetDict b/tutorials/combustion/rhoReactingFoam/groundAbsorption/system/topoSetDict new file mode 100644 index 0000000000..9951a32cac --- /dev/null +++ b/tutorials/combustion/rhoReactingFoam/groundAbsorption/system/topoSetDict @@ -0,0 +1,29 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: v2106 | +| \\ / A nd | Website: www.openfoam.com | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + object topoSetDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +actions +( + { + name f0; + type faceSet; + action new; + source boxToFace; + box (-0.1 -0.001 -0.1)(0.1 0.005 0.1); + } +); + + +// ************************************************************************* //