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ENH: Adding speciesSorption BC and patchCellsSource fvOption
speciesSorption is a zeroGradient BC which absorbs mass given by a first order time derivative, absoprtion rate and an equilibrium value calculated based on internal species values next to the wall. patchCellsSource is a source fvOption which applies to the corresponding species and apply the source calculated on the speciesSorption BC. A new abstract virtual class was created to group BC's which don't introduce a source to the matrix (i.e zeroGradient) but calculate a mass sink/source which should be introduced into the matrix. This is done through the fvOption patchCellsSource.
This commit is contained in:
sergio
@ -36,6 +36,7 @@ $(derivedSources)/tabulatedAccelerationSource/tabulatedAccelerationSource.C
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$(derivedSources)/tabulatedAccelerationSource/tabulated6DoFAcceleration/tabulated6DoFAcceleration.C
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$(derivedSources)/viscousDissipation/viscousDissipation.C
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$(derivedSources)/buoyancyTurbSource/buoyancyTurbSource.C
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$(derivedSources)/patchCellsSource/patchCellsSource.C
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interRegion = sources/interRegion
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$(interRegion)/interRegionHeatTransfer/interRegionHeatTransferModel/interRegionHeatTransferModel.C
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@ -8,6 +8,7 @@ EXE_INC = \
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-I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \
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-I$(LIB_SRC)/thermophysicalModels/specie/lnInclude \
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-I$(LIB_SRC)/thermophysicalModels/solidThermo/lnInclude \
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-I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude \
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-I$(LIB_SRC)/TurbulenceModels/turbulenceModels/lnInclude \
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-I$(LIB_SRC)/TurbulenceModels/compressible/lnInclude \
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-I$(LIB_SRC)/TurbulenceModels/incompressible/lnInclude
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@ -20,4 +21,5 @@ LIB_LIBS = \
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-lsolidThermo \
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-lturbulenceModels \
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-lincompressibleTurbulenceModels \
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-lcompressibleTurbulenceModels
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-lcompressibleTurbulenceModels \
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-lreactionThermophysicalModels
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@ -0,0 +1,195 @@
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/*---------------------------------------------------------------------------*\
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========= |
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\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
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\\ / O peration |
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||||
\\ / A nd | www.openfoam.com
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||||
\\/ M anipulation |
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||||
-------------------------------------------------------------------------------
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Copyright (C) 2022 OpenCFD Ltd.
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-------------------------------------------------------------------------------
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||||
License
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||||
This file is part of OpenFOAM.
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||||
|
||||
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
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||||
along with OpenFOAM. If not, see <http://www.gnu.org/licenses/>.
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\*---------------------------------------------------------------------------*/
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#include "patchCellsSource.H"
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#include "fvMatrices.H"
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#include "addToRunTimeSelectionTable.H"
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#include "boundarySourcePatch.H"
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// * * * * * * * * * * * * * Static Member Functions * * * * * * * * * * * * //
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namespace Foam
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{
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namespace fv
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{
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defineTypeNameAndDebug(patchCellsSource, 0);
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addToRunTimeSelectionTable(option, patchCellsSource, dictionary);
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}
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}
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// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
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Foam::fv::patchCellsSource::patchCellsSource
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(
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const word& sourceName,
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const word& modelType,
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const dictionary& dict,
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const fvMesh& mesh
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)
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:
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fv::option(sourceName, modelType, dict, mesh),
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curTimeIndex_(-1),
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UName_(coeffs_.getOrDefault<word>("U", "none")),
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hName_(coeffs_.getOrDefault<word>("he", "none")),
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speciesName_(coeffs_.getOrDefault<word>("species", "none"))
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{
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label nFields = 0;
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if (UName_ != "none")
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{
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nFields++;
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}
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if (hName_ != "none")
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{
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nFields++;
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}
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if (speciesName_ != "none")
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{
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nFields++;
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}
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if (nFields > 1)
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{
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FatalErrorInFunction
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<< "patchCellsSource : "
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<< " cannot be used for more than one field."
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<< exit(FatalError);
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}
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fieldNames_.resize(1);
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if (speciesName_ != "none")
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{
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fieldNames_[0] = speciesName_;
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}
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if (UName_ != "none")
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{
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fieldNames_[0] = UName_;
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}
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if (hName_ != "none")
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{
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fieldNames_[0] = hName_;
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}
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fv::option::resetApplied();
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}
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// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
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void Foam::fv::patchCellsSource::addSup
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(
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const volScalarField& rho,
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fvMatrix<scalar>& eqn,
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const label fieldi
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)
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{
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if (debug)
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{
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Info<< type() << ": applying source to " << eqn.psi().name() << endl;
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}
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if (curTimeIndex_ == mesh_.time().timeIndex())
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{
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return;
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}
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volScalarField* psiPtr;
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// If source applied to he, we need to loop over T for BC's
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if (hName_ != "none")
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{
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psiPtr = mesh_.getObjectPtr<volScalarField>("T");
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}
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else
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{
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auto* psi =
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mesh_.getObjectPtr<volScalarField>(eqn.psi().name());
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psiPtr = psi;
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}
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const volScalarField::Boundary& psib = psiPtr->boundaryField();
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volScalarField mDot
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(
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IOobject
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(
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"mDot",
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mesh_.time().timeName(),
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mesh_,
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IOobject::NO_READ,
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IOobject::NO_WRITE
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),
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mesh_,
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dimensionedScalar(eqn.dimensions()/dimVolume, Zero)
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);
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forAll(psib, patchi)
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{
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if (isA<boundarySourcePatch>(psib[patchi]))
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{
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const boundarySourcePatch& pp =
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refCast<const boundarySourcePatch>(psib[patchi]);
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const labelUList& fc = mesh_.boundary()[patchi].faceCells();
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tmp<scalarField> tsb = pp.patchSource();
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const scalarField& sb = tsb.cref();
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forAll(fc, facei)
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{
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const label celli = fc[facei];
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mDot[celli] += sb[facei];
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}
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}
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}
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eqn += mDot;
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curTimeIndex_ = mesh_.time().timeIndex();
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if (debug)
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{
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Info<< " Field source rate min/max : "
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<< gMin(mDot) << " / " << gMax(mDot) << endl;
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}
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}
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bool Foam::fv::patchCellsSource::read(const dictionary& dict)
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{
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if (!fv::option::read(dict))
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{
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return false;
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}
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return true;
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}
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// ************************************************************************* //
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@ -0,0 +1,162 @@
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/*---------------------------------------------------------------------------*\
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========= |
|
||||
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
|
||||
\\ / O peration |
|
||||
\\ / A nd | www.openfoam.com
|
||||
\\/ M anipulation |
|
||||
-------------------------------------------------------------------------------
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||||
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 <http://www.gnu.org/licenses/>.
|
||||
|
||||
Class
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Foam::fv::patchCellsSource
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Group
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grpFvOptionsSources
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Description
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Source defined by a boundary condition applied to cells next to patches.
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This fvOption needs to be used with a \c boundarySourcePatch type of
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boundary condition (e.g. \c speciesSorption and \c enthalpySorption.)
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Usage
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Minimal example by using \c constant/fvOptions:
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\verbatim
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<fvOptionName>
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{
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// Mandatory entries
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type patchCellsSource;
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// Optional entries
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U <word>;
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he <word>;
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species <word>;
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// Inherited entries
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...
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}
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\endverbatim
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where the entries mean:
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\table
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Property | Description | Type | Reqd | Deflt
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type | Type name: patchCellsSource | word | yes | -
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U | Name of operand velocity field | word | no | none
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he | Name of operand energy field | word | no | none
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species | Name of operand species field | word | no | none
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\endtable
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The inherited entries are elaborated in:
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- \link cellSetOption.H \endlink
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SourceFiles
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patchCellsSource.C
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\*---------------------------------------------------------------------------*/
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#ifndef Foam_fv_patchCellsSource_H
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#define Foam_fv_patchCellsSource_H
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#include "fvMesh.H"
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#include "volFields.H"
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#include "cellSetOption.H"
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// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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namespace Foam
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{
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namespace fv
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{
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/*---------------------------------------------------------------------------*\
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Class patchCellsSource Declaration
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\*---------------------------------------------------------------------------*/
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class patchCellsSource
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:
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public fv::option
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{
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// Private Data
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//- Current time index (used for updating)
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label curTimeIndex_;
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//- Name of operand velocity field
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word UName_;
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//- Name of operand energy field
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word hName_;
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//- Name of operand species field
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word speciesName_;
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public:
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//- Runtime type information
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TypeName("patchCellsSource");
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// Constructors
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//- Construct from explicit source name and mesh
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patchCellsSource
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(
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const word& sourceName,
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const word& modelType,
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const dictionary& dict,
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const fvMesh& mesh
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);
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//- No copy construct
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patchCellsSource(const patchCellsSource&) = delete;
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//- No copy assignment
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void operator=(const patchCellsSource&) = delete;
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//- Destructor
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virtual ~patchCellsSource() = default;
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|
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|
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// Member Functions
|
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//- Add explicit contribution to compressible enthalpy equation
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virtual void addSup
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(
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const volScalarField& rho,
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fvMatrix<scalar>& eqn,
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const label fieldi
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);
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//- Read source dictionary
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virtual bool read(const dictionary& dict);
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||||
};
|
||||
|
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|
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// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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|
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} // End namespace fv
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} // End namespace Foam
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
|
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#endif
|
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|
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// ************************************************************************* //
|
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@ -18,6 +18,8 @@ rhoReactionThermo/rhoReactionThermos.C
|
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derivedFvPatchFields/fixedUnburntEnthalpy/fixedUnburntEnthalpyFvPatchScalarField.C
|
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derivedFvPatchFields/gradientUnburntEnthalpy/gradientUnburntEnthalpyFvPatchScalarField.C
|
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derivedFvPatchFields/mixedUnburntEnthalpy/mixedUnburntEnthalpyFvPatchScalarField.C
|
||||
derivedFvPatchFields/speciesSorption/speciesSorptionFvPatchScalarField.C
|
||||
derivedFvPatchFields/boundarySourcePatch/boundarySourcePatch.C
|
||||
|
||||
functionObjects/moleFractions/moleFractionsFunctionObjects.C
|
||||
|
||||
|
||||
@ -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 \
|
||||
|
||||
@ -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 <http://www.gnu.org/licenses/>.
|
||||
|
||||
\*---------------------------------------------------------------------------*/
|
||||
|
||||
#include "boundarySourcePatch.H"
|
||||
|
||||
// * * * * * * * * * * * * * Static Member Functions * * * * * * * * * * * * //
|
||||
|
||||
namespace Foam
|
||||
{
|
||||
defineTypeNameAndDebug(boundarySourcePatch, 0);
|
||||
}
|
||||
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -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 <http://www.gnu.org/licenses/>.
|
||||
|
||||
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<scalarField> patchSource() const = 0;
|
||||
};
|
||||
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
} // End namespace Foam
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
#endif
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -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 <http://www.gnu.org/licenses/>.
|
||||
|
||||
\*---------------------------------------------------------------------------*/
|
||||
|
||||
#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::scalarField>
|
||||
Foam::speciesSorptionFvPatchScalarField::calcMoleFractions() const
|
||||
{
|
||||
auto tMole = tmp<scalarField>::New(patch().size(), 0);
|
||||
scalarField& Mole = tMole.ref();
|
||||
|
||||
if (db().foundObject<rhoReactionThermo>(basicThermo::dictName))
|
||||
{
|
||||
const auto& thermo = db().lookupObject<rhoReactionThermo>
|
||||
(
|
||||
basicThermo::dictName
|
||||
);
|
||||
|
||||
const PtrList<volScalarField>& 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<volScalarField>(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<scalar, volMesh>& 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<scalar, volMesh>& iF,
|
||||
const dictionary& dict
|
||||
)
|
||||
:
|
||||
zeroGradientFvPatchScalarField(p, iF, dict),
|
||||
equilibriumModel_(equilibriumModelTypeNames.get("equilibriumModel", dict)),
|
||||
kinematicModel_(kinematicModelTypeNames.get("kinematicModel", dict)),
|
||||
thicknessPtr_(PatchFunction1<scalar>::New(p.patch(), "thickness", dict)),
|
||||
kabs_(dict.getCheck<scalar>("kabs", scalarMinMax::ge(0))),
|
||||
kl_(dict.getCheck<scalar>("kl", scalarMinMax::ge(0))),
|
||||
max_(dict.getCheck<scalar>("max", scalarMinMax::ge(0))),
|
||||
rhoS_(dict.get<scalar>("rhoS")),
|
||||
pName_(dict.getOrDefault<word>("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<scalar>::operator=(Zero);
|
||||
}
|
||||
}
|
||||
|
||||
|
||||
Foam::speciesSorptionFvPatchScalarField::speciesSorptionFvPatchScalarField
|
||||
(
|
||||
const speciesSorptionFvPatchScalarField& ptf,
|
||||
const fvPatch& p,
|
||||
const DimensionedField<scalar, volMesh>& 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<scalar, volMesh>& 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<const speciesSorptionFvPatchScalarField>(ptf);
|
||||
|
||||
dfldp_.rmap(tiptf.dfldp_, addr);
|
||||
mass_.rmap(tiptf.mass_, addr);
|
||||
|
||||
if (thicknessPtr_)
|
||||
{
|
||||
thicknessPtr_->rmap(tiptf.thicknessPtr_(), addr);
|
||||
}
|
||||
}
|
||||
|
||||
|
||||
Foam::tmp<Foam::scalarField> Foam::speciesSorptionFvPatchScalarField::
|
||||
patchSource() const
|
||||
{
|
||||
const auto& thermo = db().lookupObject<rhoReactionThermo>
|
||||
(
|
||||
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<scalarField>::New(dfldp);
|
||||
}
|
||||
|
||||
|
||||
Foam::tmp<Foam::scalarField> Foam::speciesSorptionFvPatchScalarField::
|
||||
mass() const
|
||||
{
|
||||
return tmp<scalarField>::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<scalarField> tco = calcMoleFractions();
|
||||
|
||||
const fvPatchField<scalar>& pp =
|
||||
patch().lookupPatchField<volScalarField, scalar>(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<word>("p", "p", pName_);
|
||||
|
||||
writeEntry("value", os);
|
||||
}
|
||||
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
namespace Foam
|
||||
{
|
||||
makePatchTypeField
|
||||
(
|
||||
fvPatchScalarField,
|
||||
speciesSorptionFvPatchScalarField
|
||||
);
|
||||
}
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -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 <http://www.gnu.org/licenses/>.
|
||||
|
||||
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
|
||||
<patchName>
|
||||
{
|
||||
// Mandatory entries
|
||||
type speciesSorption;
|
||||
equilibriumModel <word>;
|
||||
kinematicModel <word>;
|
||||
kabs <scalar>;
|
||||
kl <scalar>;
|
||||
max <scalar>;
|
||||
thickness <PatchFunction1<scalar>>;
|
||||
rhoS <scalar>;
|
||||
|
||||
// Optional entries
|
||||
dfldp <scalarField>;
|
||||
mass <scalarField>;
|
||||
pName <word>;
|
||||
|
||||
// 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\<scalar\> | 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<scalar>,
|
||||
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<equilibriumModelType> equilibriumModelTypeNames;
|
||||
|
||||
//- Names for kineticModelType
|
||||
static const Enum<kineticModelType> kinematicModelTypeNames;
|
||||
|
||||
|
||||
private:
|
||||
|
||||
// Private Data
|
||||
|
||||
//- Equilibrium model
|
||||
enum equilibriumModelType equilibriumModel_;
|
||||
|
||||
//- Kinematic model
|
||||
enum kineticModelType kinematicModel_;
|
||||
|
||||
//- Solid thickness along the patch
|
||||
autoPtr<PatchFunction1<scalar>> 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<scalarField> 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<scalar, volMesh>&
|
||||
);
|
||||
|
||||
//- Construct from patch, internal field and dictionary
|
||||
speciesSorptionFvPatchScalarField
|
||||
(
|
||||
const fvPatch&,
|
||||
const DimensionedField<scalar, volMesh>&,
|
||||
const dictionary&
|
||||
);
|
||||
|
||||
//- Construct by mapping given
|
||||
//- speciesSorptionFvPatchScalarField onto a new patch
|
||||
speciesSorptionFvPatchScalarField
|
||||
(
|
||||
const speciesSorptionFvPatchScalarField&,
|
||||
const fvPatch&,
|
||||
const DimensionedField<scalar, volMesh>&,
|
||||
const fvPatchFieldMapper&
|
||||
);
|
||||
|
||||
//- Construct as copy
|
||||
speciesSorptionFvPatchScalarField
|
||||
(
|
||||
const speciesSorptionFvPatchScalarField&
|
||||
);
|
||||
|
||||
//- Construct and return a clone
|
||||
virtual tmp<fvPatchScalarField> clone() const
|
||||
{
|
||||
return tmp<fvPatchScalarField>
|
||||
(
|
||||
new speciesSorptionFvPatchScalarField(*this)
|
||||
);
|
||||
}
|
||||
|
||||
//- Construct as copy setting internal field reference
|
||||
speciesSorptionFvPatchScalarField
|
||||
(
|
||||
const speciesSorptionFvPatchScalarField&,
|
||||
const DimensionedField<scalar, volMesh>&
|
||||
);
|
||||
|
||||
//- Construct and return a clone setting internal field reference
|
||||
virtual tmp<fvPatchScalarField> clone
|
||||
(
|
||||
const DimensionedField<scalar, volMesh>& iF
|
||||
) const
|
||||
{
|
||||
return tmp<fvPatchScalarField>
|
||||
(
|
||||
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<scalarField> patchSource() const;
|
||||
|
||||
//- Access to mass
|
||||
tmp<scalarField> 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
|
||||
|
||||
// ************************************************************************* //
|
||||
Reference in New Issue
Block a user