125 lines
3.6 KiB
C
125 lines
3.6 KiB
C
/*---------------------------------------------------------------------------*\
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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 | Copyright (C) 2011-2016 OpenFOAM Foundation
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\\/ M anipulation |
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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
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under the terms of the GNU General Public License as published by
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the Free Software Foundation, either version 3 of the License, or
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(at your option) any later version.
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OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
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ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
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FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
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for more details.
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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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Application
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chemFoam
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Description
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Solver for chemistry problems, designed for use on single cell cases to
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provide comparison against other chemistry solvers, that uses a single cell
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mesh, and fields created from the initial conditions.
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\*---------------------------------------------------------------------------*/
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#include <cantera/transport.h>
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#include <cantera/IdealGasMix.h>
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#include "fvCFD.H"
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#include "psiReactionThermo.H"
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#include "psiChemistryModel.H"
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#include "chemistrySolver.H"
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#include "OFstream.H"
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#include "thermoPhysicsTypes.H"
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#include "basicMultiComponentMixture.H"
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#include "cellModeller.H"
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#include "diffusivityModel.H"
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// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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int main(int argc, char *argv[])
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{
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argList::noParallel();
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#define CREATE_MESH createSingleCellMesh.H
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#define NO_CONTROL
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#include "postProcess.H"
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#include "setRootCase.H"
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#include "createTime.H"
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#include "createSingleCellMesh.H"
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#include "createFields.H"
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#include "createFieldRefs.H"
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#include "readInitialConditions.H"
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// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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Info<< "\nCreate Cantera object\n" << endl;
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Cantera::IdealGasMix gas_ ("gri30.xml", "gri30_mix");
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Cantera::Transport *tr_ = Cantera::newTransportMgr("Mix", &gas_);
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label nCanteraSp_ = gas_.nSpecies();
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Info<< "\nCreate temperature space\n" << endl;
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scalar Tl = 300;
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scalar Tu = 3000;
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scalarField T(100, 0.0);
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forAll (T, i)
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{
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T[i] = i * (Tu - Tl) / scalar(T.size()) + Tl;
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}
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// initialize composition array
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scalarField XY(nCanteraSp_, 0.0);
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forAll(thermo.composition().species(), i)
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{
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XY[i] = Y[i][0];
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}
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Info<< "\nTemperature Loop\n" << endl;
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forAll(T, i)
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{
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// OpenFOAM diffusivity model
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thermo.T()[0] = T[i];
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thermo.he() = thermo.he(p, thermo.T());
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thermo.correct();
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diff.correct();
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// Cantera gas transport
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gas_.setState_TPY(T[i], p0, XY.data());
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scalarField Dc (composition.species().size(), 0.0);
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tr_->getMixDiffCoeffsMass(Dc.data());
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forAll(thermo.composition().species(), k)
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{
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Info << thermo.composition().species()[k] << tab << 100. * (diff.D(k)[0] - Dc[k]) / Dc[k] << endl;
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}
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Info << "mu" << tab << 100.*(diff.mu()[0] - tr_->viscosity())/tr_->viscosity() << endl;
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}
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Info << "End" << nl << endl;
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return 0;
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}
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// ************************************************************************* //
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