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ENH: timeVaryingMassSorption: new boundary condition for icoReacting solvers
Co-authored-by: Kutalmis Bercin <kutalmis.bercin@esi-group.com>
This commit is contained in:
sergio
@ -25,4 +25,6 @@ $(surfaceTension)/surfaceTensionModel/surfaceTensionModel.C
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$(surfaceTension)/constantSurfaceTensionCoefficient/constantSurfaceTensionCoefficient.C
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$(surfaceTension)/constantSurfaceTensionCoefficient/constantSurfaceTensionCoefficient.C
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*/
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*/
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derivedFvPatchFields/timeVaryingMassSorption/timeVaryingMassSorptionFvPatchScalarField.C
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LIB = $(FOAM_LIBBIN)/libincompressibleMultiphaseSystems
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LIB = $(FOAM_LIBBIN)/libincompressibleMultiphaseSystems
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@ -0,0 +1,282 @@
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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) 2021 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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||||||
|
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OpenFOAM is free software: you can redistribute it and/or modify it
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||||||
|
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.
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||||||
|
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||||||
|
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.
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||||||
|
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||||||
|
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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\*---------------------------------------------------------------------------*/
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#include "timeVaryingMassSorptionFvPatchScalarField.H"
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#include "addToRunTimeSelectionTable.H"
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#include "fvPatchFieldMapper.H"
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#include "volFields.H"
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#include "EulerDdtScheme.H"
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#include "CrankNicolsonDdtScheme.H"
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#include "backwardDdtScheme.H"
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// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
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const Foam::Enum
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<
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Foam::timeVaryingMassSorptionFvPatchScalarField::ddtSchemeType
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>
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Foam::timeVaryingMassSorptionFvPatchScalarField::ddtSchemeTypeNames_
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({
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{
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ddtSchemeType::tsEuler,
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fv::EulerDdtScheme<scalar>::typeName_()
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},
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{
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ddtSchemeType::tsCrankNicolson,
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fv::CrankNicolsonDdtScheme<scalar>::typeName_()
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},
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{
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ddtSchemeType::tsBackward,
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fv::backwardDdtScheme<scalar>::typeName_()
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},
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});
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// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
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Foam::timeVaryingMassSorptionFvPatchScalarField::
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timeVaryingMassSorptionFvPatchScalarField
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(
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const fvPatch& p,
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const DimensionedField<scalar, volMesh>& iF
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)
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:
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fixedValueFvPatchScalarField(p, iF),
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kabs_(scalar(1)),
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max_(scalar(1)),
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kdes_(scalar(1))
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{}
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Foam::timeVaryingMassSorptionFvPatchScalarField::
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timeVaryingMassSorptionFvPatchScalarField
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(
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const fvPatch& p,
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const DimensionedField<scalar, volMesh>& iF,
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const dictionary& dict
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)
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:
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fixedValueFvPatchScalarField(p, iF, dict, false),
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kabs_(dict.getCheck<scalar>("kabs", scalarMinMax::ge(0))),
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max_(dict.getCheck<scalar>("max", scalarMinMax::ge(0))),
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kdes_(dict.getCheckOrDefault<scalar>("kdes", 0, scalarMinMax::ge(0)))
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{
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if (dict.found("value"))
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{
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fvPatchScalarField::operator=
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(
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scalarField("value", dict, p.size())
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);
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}
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else
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{
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fvPatchField<scalar>::operator=(Zero);
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}
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}
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Foam::timeVaryingMassSorptionFvPatchScalarField::
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timeVaryingMassSorptionFvPatchScalarField
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(
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const timeVaryingMassSorptionFvPatchScalarField& ptf,
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const fvPatch& p,
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const DimensionedField<scalar, volMesh>& iF,
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const fvPatchFieldMapper& mapper
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)
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:
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fixedValueFvPatchScalarField(ptf, p, iF, mapper),
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kabs_(ptf.kabs_),
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max_(ptf.max_),
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kdes_(ptf.kdes_)
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{}
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Foam::timeVaryingMassSorptionFvPatchScalarField::
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timeVaryingMassSorptionFvPatchScalarField
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(
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const timeVaryingMassSorptionFvPatchScalarField& ptf
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)
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:
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fixedValueFvPatchScalarField(ptf),
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kabs_(ptf.kabs_),
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max_(ptf.max_),
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kdes_(ptf.kdes_)
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{}
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Foam::timeVaryingMassSorptionFvPatchScalarField::
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timeVaryingMassSorptionFvPatchScalarField
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(
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const timeVaryingMassSorptionFvPatchScalarField& ptf,
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const DimensionedField<scalar, volMesh>& iF
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)
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:
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fixedValueFvPatchScalarField(ptf, iF),
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kabs_(ptf.kabs_),
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max_(ptf.max_),
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kdes_(ptf.kdes_)
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{}
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// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
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void Foam::timeVaryingMassSorptionFvPatchScalarField::autoMap
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(
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const fvPatchFieldMapper& m
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)
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{
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fixedValueFvPatchScalarField::autoMap(m);
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}
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void Foam::timeVaryingMassSorptionFvPatchScalarField::rmap
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(
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const fvPatchScalarField& ptf,
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const labelList& addr
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)
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{
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fixedValueFvPatchScalarField::rmap(ptf, addr);
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}
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Foam::tmp<Foam::scalarField>
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Foam::timeVaryingMassSorptionFvPatchScalarField::source() const
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{
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auto tsource = tmp<scalarField>::New(patch().size(), Zero);
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auto& source = tsource.ref();
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const scalarField cp(*this);
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const scalarField w(max(1 - cp/max_, scalar(0)));
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source = -kabs_*w*max(patchInternalField() - cp, scalar(0));
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source += kdes_*max(cp - patchInternalField(), scalar(0));
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return tsource;
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}
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void Foam::timeVaryingMassSorptionFvPatchScalarField::updateCoeffs()
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{
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if (updated())
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{
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return;
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}
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const label patchi = patch().index();
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const scalar dt = db().time().deltaTValue();
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const auto& fld =
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db().lookupObject<volScalarField>(this->internalField().name());
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const volScalarField& fld0 = fld.oldTime();
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// Lookup d/dt scheme from database
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const word ddtSchemeName(fld.mesh().ddtScheme(fld.name()));
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const ddtSchemeType& ddtScheme = ddtSchemeTypeNames_[ddtSchemeName];
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const scalarField cp(*this);
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const scalarField w(max(1 - cp/max_, scalar(0)));
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tmp<scalarField> dfldp =
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kabs_
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*w
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*max(patchInternalField() - cp, scalar(0))
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*dt;
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dfldp.ref() -=
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kdes_
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*max(cp - patchInternalField(), scalar(0))
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*dt;
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switch (ddtScheme)
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{
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case tsEuler:
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case tsCrankNicolson:
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{
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operator==(fld0.boundaryField()[patchi] + dfldp);
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break;
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}
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case tsBackward:
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{
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const scalar dt0 = db().time().deltaT0Value();
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const scalar c = scalar(1) + dt/(dt + dt0);
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const scalar c00 = dt*dt/(dt0*(dt + dt0));
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const scalar c0 = c + c00;
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operator==
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|
(
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|
(
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|
c0*fld0.boundaryField()[patchi]
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- c00*fld0.oldTime().boundaryField()[patchi]
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+ dfldp
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)/c
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);
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break;
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}
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default:
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{
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FatalErrorInFunction
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<< ddtSchemeName << nl
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<< " on patch " << this->patch().name()
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<< " of field " << this->internalField().name()
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<< " in file " << this->internalField().objectPath()
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<< exit(FatalError);
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}
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}
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fixedValueFvPatchScalarField::updateCoeffs();
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}
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void Foam::timeVaryingMassSorptionFvPatchScalarField::write(Ostream& os) const
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{
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fvPatchScalarField::write(os);
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|
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|
os.writeEntry("kabs", kabs_);
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os.writeEntry("max", max_);
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os.writeEntryIfDifferent<scalar>("kdes", scalar(0), kdes_);
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writeEntry("value", os);
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}
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|
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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|
namespace Foam
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|
{
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|
makePatchTypeField
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|
(
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|
fvPatchScalarField,
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|
timeVaryingMassSorptionFvPatchScalarField
|
||||||
|
);
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|
}
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||||||
|
|
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|
// ************************************************************************* //
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@ -0,0 +1,249 @@
|
|||||||
|
/*---------------------------------------------------------------------------*\
|
||||||
|
========= |
|
||||||
|
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
|
||||||
|
\\ / O peration |
|
||||||
|
\\ / A nd | www.openfoam.com
|
||||||
|
\\/ M anipulation |
|
||||||
|
-------------------------------------------------------------------------------
|
||||||
|
Copyright (C) 2021 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::timeVaryingMassSorptionFvPatchScalarField
|
||||||
|
|
||||||
|
Group
|
||||||
|
grpGenericBoundaryConditions
|
||||||
|
|
||||||
|
Description
|
||||||
|
This boundary condition provides a first order fixed-value condition
|
||||||
|
for a given scalar field to model time-dependent adsorption-desoprtion
|
||||||
|
processes to be used with the \c interfaceOxideRate mass model
|
||||||
|
|
||||||
|
\f[
|
||||||
|
\frac{d c}{d t} =
|
||||||
|
k_{abs} w (c_{int} - c_{p_{w}}) + k_{des} (c_{p_{w} - c_{int}})
|
||||||
|
\f]
|
||||||
|
|
||||||
|
\f[
|
||||||
|
w = max(1 - c_{p_{w}/max, 0);
|
||||||
|
\f]
|
||||||
|
|
||||||
|
where
|
||||||
|
\vartable
|
||||||
|
c_{int} | Concentration at cell
|
||||||
|
c_{p_{w}} | Concentration at wall
|
||||||
|
k_{abs} | Adsorption rate constant [1/s]
|
||||||
|
k_{des} | Desorption rate constant [1/s]
|
||||||
|
w | Weight function
|
||||||
|
max | Max concentration at wall
|
||||||
|
\endvartable
|
||||||
|
|
||||||
|
Usage
|
||||||
|
Example of the boundary condition specification:
|
||||||
|
\verbatim
|
||||||
|
<patchName>
|
||||||
|
{
|
||||||
|
// Mandatory entries
|
||||||
|
type timeVaryingMassSorption;
|
||||||
|
kbas <scalar>;
|
||||||
|
max <scalar>;
|
||||||
|
|
||||||
|
// Optional entries
|
||||||
|
kdes <scalar>;
|
||||||
|
|
||||||
|
// Inherited entries
|
||||||
|
...
|
||||||
|
}
|
||||||
|
\endverbatim
|
||||||
|
|
||||||
|
where the entries mean:
|
||||||
|
\table
|
||||||
|
Property | Description | Type | Reqd | Deflt
|
||||||
|
type | Type name: timeVaryingAdsorption | word | yes | -
|
||||||
|
kbas | Adsorption rate constant | scalar | yes | -
|
||||||
|
max | Maximum concentation at wall | scalar | yes | -
|
||||||
|
kdes | Desorption rate constant | scalar | no | 0
|
||||||
|
\endtable
|
||||||
|
|
||||||
|
The inherited entries are elaborated in:
|
||||||
|
- \link fixedValueFvPatchFields.H \endlink
|
||||||
|
|
||||||
|
SourceFiles
|
||||||
|
timeVaryingMassSorptionFvPatchScalarField.C
|
||||||
|
|
||||||
|
\*---------------------------------------------------------------------------*/
|
||||||
|
|
||||||
|
#ifndef timeVaryingMassSorptionFvPatchScalarField_H
|
||||||
|
#define timeVaryingMassSorptionFvPatchScalarField_H
|
||||||
|
|
||||||
|
#include "fixedValueFvPatchFields.H"
|
||||||
|
|
||||||
|
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||||
|
|
||||||
|
namespace Foam
|
||||||
|
{
|
||||||
|
|
||||||
|
/*---------------------------------------------------------------------------*\
|
||||||
|
Class timeVaryingMassSorptionFvPatchScalarField Declaration
|
||||||
|
\*---------------------------------------------------------------------------*/
|
||||||
|
|
||||||
|
class timeVaryingMassSorptionFvPatchScalarField
|
||||||
|
:
|
||||||
|
public fixedValueFvPatchScalarField
|
||||||
|
{
|
||||||
|
public:
|
||||||
|
|
||||||
|
// Public Enumeration
|
||||||
|
|
||||||
|
//- Enumeration defining the available ddt schemes
|
||||||
|
enum ddtSchemeType
|
||||||
|
{
|
||||||
|
tsEuler,
|
||||||
|
tsCrankNicolson,
|
||||||
|
tsBackward
|
||||||
|
};
|
||||||
|
|
||||||
|
|
||||||
|
private:
|
||||||
|
|
||||||
|
// Private Data
|
||||||
|
|
||||||
|
//- Time scheme type names
|
||||||
|
static const Enum<ddtSchemeType> ddtSchemeTypeNames_;
|
||||||
|
|
||||||
|
//- Adsorption rate constant
|
||||||
|
scalar kabs_;
|
||||||
|
|
||||||
|
//- Maximum level of adsorption of a given substance on patch
|
||||||
|
scalar max_;
|
||||||
|
|
||||||
|
//- Desorption rate constant
|
||||||
|
scalar kdes_;
|
||||||
|
|
||||||
|
|
||||||
|
public:
|
||||||
|
|
||||||
|
//- Runtime type information
|
||||||
|
TypeName("timeVaryingMassSorption");
|
||||||
|
|
||||||
|
|
||||||
|
// Constructors
|
||||||
|
|
||||||
|
//- Construct from patch and internal field
|
||||||
|
timeVaryingMassSorptionFvPatchScalarField
|
||||||
|
(
|
||||||
|
const fvPatch&,
|
||||||
|
const DimensionedField<scalar, volMesh>&
|
||||||
|
);
|
||||||
|
|
||||||
|
//- Construct from patch, internal field and dictionary
|
||||||
|
timeVaryingMassSorptionFvPatchScalarField
|
||||||
|
(
|
||||||
|
const fvPatch&,
|
||||||
|
const DimensionedField<scalar, volMesh>&,
|
||||||
|
const dictionary&
|
||||||
|
);
|
||||||
|
|
||||||
|
//- Construct by mapping given
|
||||||
|
//- timeVaryingMassSorptionFvPatchScalarField onto a new patch
|
||||||
|
timeVaryingMassSorptionFvPatchScalarField
|
||||||
|
(
|
||||||
|
const timeVaryingMassSorptionFvPatchScalarField&,
|
||||||
|
const fvPatch&,
|
||||||
|
const DimensionedField<scalar, volMesh>&,
|
||||||
|
const fvPatchFieldMapper&
|
||||||
|
);
|
||||||
|
|
||||||
|
//- Construct as copy
|
||||||
|
timeVaryingMassSorptionFvPatchScalarField
|
||||||
|
(
|
||||||
|
const timeVaryingMassSorptionFvPatchScalarField&
|
||||||
|
);
|
||||||
|
|
||||||
|
//- Construct and return a clone
|
||||||
|
virtual tmp<fvPatchScalarField> clone() const
|
||||||
|
{
|
||||||
|
return tmp<fvPatchScalarField>
|
||||||
|
(
|
||||||
|
new timeVaryingMassSorptionFvPatchScalarField(*this)
|
||||||
|
);
|
||||||
|
}
|
||||||
|
|
||||||
|
//- Construct as copy setting internal field reference
|
||||||
|
timeVaryingMassSorptionFvPatchScalarField
|
||||||
|
(
|
||||||
|
const timeVaryingMassSorptionFvPatchScalarField&,
|
||||||
|
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 timeVaryingMassSorptionFvPatchScalarField(*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&
|
||||||
|
);
|
||||||
|
|
||||||
|
// Help
|
||||||
|
|
||||||
|
//- Return source rate
|
||||||
|
tmp<scalarField> source() const;
|
||||||
|
|
||||||
|
|
||||||
|
// Evaluation
|
||||||
|
|
||||||
|
//- Update the coefficients associated with the patch field
|
||||||
|
virtual void updateCoeffs();
|
||||||
|
|
||||||
|
|
||||||
|
//- Write
|
||||||
|
virtual void write(Ostream&) const;
|
||||||
|
};
|
||||||
|
|
||||||
|
|
||||||
|
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||||
|
|
||||||
|
} // End namespace Foam
|
||||||
|
|
||||||
|
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||||
|
|
||||||
|
#endif
|
||||||
|
|
||||||
|
// ************************************************************************* //
|
||||||
Reference in New Issue
Block a user