To simplify maintenance and further development of chemistry solution the
standardChemistryModel and TDACChemistryModel have been merged into the single
chemistryModel class. Now the TDAC mechanism reduction and tabulation
components can be individually selected or set to "none" or the corresponding
entries in the chemistryProperties dictionary omitted to switch them off thus
reproducing the behaviour of the standardChemistryModel.
For example the following chemistryProperties includes TDAC:
#includeEtc "caseDicts/solvers/chemistry/TDAC/chemistryProperties.cfg"
chemistryType
{
solver ode;
}
chemistry on;
initialChemicalTimeStep 1e-7;
odeCoeffs
{
solver seulex;
absTol 1e-8;
relTol 1e-1;
}
reduction
{
tolerance 1e-4;
}
tabulation
{
tolerance 3e-3;
}
#include "reactionsGRI"
and to run without TDAC the following is sufficient:
chemistryType
{
solver ode;
}
chemistry on;
initialChemicalTimeStep 1e-7;
odeCoeffs
{
solver seulex;
absTol 1e-8;
relTol 1e-1;
}
#include "reactionsGRI"
or the "reduction" and "tabulation" entries can be disabled explicitly:
#includeEtc "caseDicts/solvers/chemistry/TDAC/chemistryProperties.cfg"
chemistryType
{
solver ode;
}
chemistry on;
initialChemicalTimeStep 1e-7;
odeCoeffs
{
solver seulex;
absTol 1e-8;
relTol 1e-1;
}
reduction
{
method none;
tolerance 1e-4;
}
tabulation
{
method none;
tolerance 3e-3;
}
#include "reactionsGRI"
236 lines
5.9 KiB
C++
236 lines
5.9 KiB
C++
/*---------------------------------------------------------------------------*\
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========= |
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\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
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\\ / O peration | Website: https://openfoam.org
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\\ / A nd | Copyright (C) YEAR 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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\*---------------------------------------------------------------------------*/
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#include "makeChemistrySolver.H"
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#include "${method}ChemistryModel.H"
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#include "${solver}.H"
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#include "typedefThermo.H"
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#include "${specie}.H"
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#include "thermo.H"
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// EoS
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#include "${equationOfState}.H"
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// Thermo
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#include "${thermo}Thermo.H"
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#include "${energy}.H"
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// Transport
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#include "${transport}Transport.H"
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// * * * * * * * * * * * * * * * Global Functions * * * * * * * * * * * * * //
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extern "C"
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{
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// dynamicCode:
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// SHA1 = ${SHA1sum}
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//
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// Unique function name that can be checked if the correct library version
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// has been loaded
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void ${typeName}_${SHA1sum}(bool load)
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{
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if (load)
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{
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// code that can be explicitly executed after loading
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}
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else
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{
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// code that can be explicitly executed before unloading
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}
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}
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}
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// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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#define ThermoPhysics \
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${transport}Transport${energy}${thermo}Thermo${equationOfState}${specie}
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namespace Foam
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{
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typedefThermo
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(
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${transport}Transport,
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${energy},
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${thermo}Thermo,
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${equationOfState},
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${specie}
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);
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defineChemistrySolver(${method}ChemistryModel, ThermoPhysics);
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makeChemistrySolver(${solver}, ${method}ChemistryModel, ThermoPhysics);
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}
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#define chemistryModelCppTest 0
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#if ${method}ChemistryModelCppTest == chemistryModelCppTest
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#include "makeChemistryReductionMethod.H"
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#include "makeChemistryTabulationMethod.H"
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namespace Foam
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{
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defineChemistryReductionMethod(nullArg, ThermoPhysics);
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defineChemistryTabulationMethod(nullArg, ThermoPhysics);
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}
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#include "noChemistryReduction.H"
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#include "DAC.H"
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#include "DRG.H"
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#include "DRGEP.H"
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#include "EFA.H"
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#include "PFA.H"
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namespace Foam
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{
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makeChemistryReductionMethod(none, ThermoPhysics);
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makeChemistryReductionMethod(DAC, ThermoPhysics);
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makeChemistryReductionMethod(DRG, ThermoPhysics);
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makeChemistryReductionMethod(DRGEP, ThermoPhysics);
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makeChemistryReductionMethod(EFA, ThermoPhysics);
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makeChemistryReductionMethod(PFA, ThermoPhysics);
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}
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#include "noChemistryTabulation.H"
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#include "ISAT.H"
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namespace Foam
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{
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makeChemistryTabulationMethod(none, ThermoPhysics);
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makeChemistryTabulationMethod(ISAT, ThermoPhysics);
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}
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#endif
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// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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#include "makeReaction.H"
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#include "ArrheniusReactionRate.H"
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#include "LandauTellerReactionRate.H"
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#include "thirdBodyArrheniusReactionRate.H"
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#include "JanevReactionRate.H"
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#include "powerSeriesReactionRate.H"
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#include "ChemicallyActivatedReactionRate.H"
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#include "FallOffReactionRate.H"
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#include "LindemannFallOffFunction.H"
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#include "SRIFallOffFunction.H"
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#include "TroeFallOffFunction.H"
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#include "LangmuirHinshelwoodReactionRate.H"
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#include "MichaelisMentenReactionRate.H"
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namespace Foam
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{
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defineReaction(nullArg, ThermoPhysics);
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makeIRNReactions(ArrheniusReactionRate, ThermoPhysics);
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makeIRNReactions(LandauTellerReactionRate, ThermoPhysics);
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makeIRNReactions(thirdBodyArrheniusReactionRate, ThermoPhysics);
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makeIRReactions(JanevReactionRate, ThermoPhysics);
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makeIRReactions(powerSeriesReactionRate, ThermoPhysics);
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makeIRRPressureDependentReactions
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(
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FallOffReactionRate,
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ArrheniusReactionRate,
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LindemannFallOffFunction,
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ThermoPhysics
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);
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makeIRRPressureDependentReactions
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(
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FallOffReactionRate,
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ArrheniusReactionRate,
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TroeFallOffFunction,
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ThermoPhysics
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);
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makeIRRPressureDependentReactions
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(
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FallOffReactionRate,
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ArrheniusReactionRate,
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SRIFallOffFunction,
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ThermoPhysics
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);
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makeIRRPressureDependentReactions
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(
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ChemicallyActivatedReactionRate,
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ArrheniusReactionRate,
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LindemannFallOffFunction,
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ThermoPhysics
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);
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makeIRRPressureDependentReactions
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(
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ChemicallyActivatedReactionRate,
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ArrheniusReactionRate,
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TroeFallOffFunction,
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ThermoPhysics
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);
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makeIRRPressureDependentReactions
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(
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ChemicallyActivatedReactionRate,
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ArrheniusReactionRate,
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SRIFallOffFunction,
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ThermoPhysics
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);
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}
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// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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#include "LangmuirHinshelwoodReactionRate.H"
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namespace Foam
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{
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makeIRReactions(LangmuirHinshelwoodReactionRate, ThermoPhysics);
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}
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#include "fluxLimitedLangmuirHinshelwoodReactionRate.H"
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namespace Foam
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{
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makeGeneralReaction
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(
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IrreversibleReaction,
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fluxLimitedLangmuirHinshelwoodReactionRate,
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ThermoPhysics
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);
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}
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// ************************************************************************* //
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