Files
OpenFOAM-12/etc/codeTemplates/dynamicCode/basicChemistryModelTemplate.C
Henry Weller 8fd9f5758c chemistryModel: new general chemistry solver created by merging standardChemistryModel and TDACChemistryModel
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"
2021-09-13 12:17:40 +01:00

236 lines
5.9 KiB
C++

/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) YEAR OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
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 "makeChemistrySolver.H"
#include "${method}ChemistryModel.H"
#include "${solver}.H"
#include "typedefThermo.H"
#include "${specie}.H"
#include "thermo.H"
// EoS
#include "${equationOfState}.H"
// Thermo
#include "${thermo}Thermo.H"
#include "${energy}.H"
// Transport
#include "${transport}Transport.H"
// * * * * * * * * * * * * * * * Global Functions * * * * * * * * * * * * * //
extern "C"
{
// dynamicCode:
// SHA1 = ${SHA1sum}
//
// Unique function name that can be checked if the correct library version
// has been loaded
void ${typeName}_${SHA1sum}(bool load)
{
if (load)
{
// code that can be explicitly executed after loading
}
else
{
// code that can be explicitly executed before unloading
}
}
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#define ThermoPhysics \
${transport}Transport${energy}${thermo}Thermo${equationOfState}${specie}
namespace Foam
{
typedefThermo
(
${transport}Transport,
${energy},
${thermo}Thermo,
${equationOfState},
${specie}
);
defineChemistrySolver(${method}ChemistryModel, ThermoPhysics);
makeChemistrySolver(${solver}, ${method}ChemistryModel, ThermoPhysics);
}
#define chemistryModelCppTest 0
#if ${method}ChemistryModelCppTest == chemistryModelCppTest
#include "makeChemistryReductionMethod.H"
#include "makeChemistryTabulationMethod.H"
namespace Foam
{
defineChemistryReductionMethod(nullArg, ThermoPhysics);
defineChemistryTabulationMethod(nullArg, ThermoPhysics);
}
#include "noChemistryReduction.H"
#include "DAC.H"
#include "DRG.H"
#include "DRGEP.H"
#include "EFA.H"
#include "PFA.H"
namespace Foam
{
makeChemistryReductionMethod(none, ThermoPhysics);
makeChemistryReductionMethod(DAC, ThermoPhysics);
makeChemistryReductionMethod(DRG, ThermoPhysics);
makeChemistryReductionMethod(DRGEP, ThermoPhysics);
makeChemistryReductionMethod(EFA, ThermoPhysics);
makeChemistryReductionMethod(PFA, ThermoPhysics);
}
#include "noChemistryTabulation.H"
#include "ISAT.H"
namespace Foam
{
makeChemistryTabulationMethod(none, ThermoPhysics);
makeChemistryTabulationMethod(ISAT, ThermoPhysics);
}
#endif
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#include "makeReaction.H"
#include "ArrheniusReactionRate.H"
#include "LandauTellerReactionRate.H"
#include "thirdBodyArrheniusReactionRate.H"
#include "JanevReactionRate.H"
#include "powerSeriesReactionRate.H"
#include "ChemicallyActivatedReactionRate.H"
#include "FallOffReactionRate.H"
#include "LindemannFallOffFunction.H"
#include "SRIFallOffFunction.H"
#include "TroeFallOffFunction.H"
#include "LangmuirHinshelwoodReactionRate.H"
#include "MichaelisMentenReactionRate.H"
namespace Foam
{
defineReaction(nullArg, ThermoPhysics);
makeIRNReactions(ArrheniusReactionRate, ThermoPhysics);
makeIRNReactions(LandauTellerReactionRate, ThermoPhysics);
makeIRNReactions(thirdBodyArrheniusReactionRate, ThermoPhysics);
makeIRReactions(JanevReactionRate, ThermoPhysics);
makeIRReactions(powerSeriesReactionRate, ThermoPhysics);
makeIRRPressureDependentReactions
(
FallOffReactionRate,
ArrheniusReactionRate,
LindemannFallOffFunction,
ThermoPhysics
);
makeIRRPressureDependentReactions
(
FallOffReactionRate,
ArrheniusReactionRate,
TroeFallOffFunction,
ThermoPhysics
);
makeIRRPressureDependentReactions
(
FallOffReactionRate,
ArrheniusReactionRate,
SRIFallOffFunction,
ThermoPhysics
);
makeIRRPressureDependentReactions
(
ChemicallyActivatedReactionRate,
ArrheniusReactionRate,
LindemannFallOffFunction,
ThermoPhysics
);
makeIRRPressureDependentReactions
(
ChemicallyActivatedReactionRate,
ArrheniusReactionRate,
TroeFallOffFunction,
ThermoPhysics
);
makeIRRPressureDependentReactions
(
ChemicallyActivatedReactionRate,
ArrheniusReactionRate,
SRIFallOffFunction,
ThermoPhysics
);
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#include "LangmuirHinshelwoodReactionRate.H"
namespace Foam
{
makeIRReactions(LangmuirHinshelwoodReactionRate, ThermoPhysics);
}
#include "fluxLimitedLangmuirHinshelwoodReactionRate.H"
namespace Foam
{
makeGeneralReaction
(
IrreversibleReaction,
fluxLimitedLangmuirHinshelwoodReactionRate,
ThermoPhysics
);
}
// ************************************************************************* //