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StandardChemistryModel: Separate the reaction system from the mixture thermodynamics

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This allows much greater flexibility in the instantiation of reaction system
which may in general depend on fields other than the thermodynamic state.  This
also simplifies mixture thermodynamics removing the need for the reactingMixture
and the instantiation of all the thermodynamic package combinations depending on
it.
This commit is contained in:
Henry Weller
2019-08-03 15:11:00 +01:00
parent 509133ecbb
commit 05208f64dc
120 changed files with 464 additions and 1180 deletions
Download Patch File Download Diff File Expand all files Collapse all files

4
applications/solvers/combustion/chemFoam/chemFoam.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2011-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -34,7 +34,7 @@ Description
#include "fvCFD.H"
#include "rhoReactionThermo.H"
#include "BasicChemistryModel.H"
#include "reactingMixture.H"
#include "multiComponentMixture.H"
#include "chemistrySolver.H"
#include "OFstream.H"
#include "thermoPhysicsTypes.H"

14
applications/solvers/combustion/chemFoam/thermoTypeFunctions.H
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2018-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -27,7 +27,7 @@ template<class ThermoType>
scalarList W(const rhoReactionThermo& thermo)
{
const PtrList<ThermoType>& specieData =
dynamicCast<const reactingMixture<ThermoType>>(thermo)
dynamicCast<const multiComponentMixture<ThermoType>>(thermo)
.speciesData();
scalarList W(specieData.size());
@ -51,7 +51,7 @@ scalar h0
)
{
const PtrList<ThermoType>& specieData =
dynamic_cast<const reactingMixture<ThermoType>&>(thermo)
dynamic_cast<const multiComponentMixture<ThermoType>&>(thermo)
.speciesData();
scalar h0 = 0;
@ -66,11 +66,11 @@ scalar h0
scalarList W(const rhoReactionThermo& thermo)
{
if (isA<reactingMixture<gasHThermoPhysics>>(thermo))
if (isA<multiComponentMixture<gasHThermoPhysics>>(thermo))
{
return W<gasHThermoPhysics>(thermo);
}
else if (isA<reactingMixture<constFluidHThermoPhysics>>(thermo))
else if (isA<multiComponentMixture<constFluidHThermoPhysics>>(thermo))
{
return W<constFluidHThermoPhysics>(thermo);
}
@ -94,11 +94,11 @@ scalar h0
const scalar T
)
{
if (isA<reactingMixture<gasHThermoPhysics>>(thermo))
if (isA<multiComponentMixture<gasHThermoPhysics>>(thermo))
{
return h0<gasHThermoPhysics>(thermo, Y, p, T);
}
else if (isA<reactingMixture<constFluidHThermoPhysics>>(thermo))
else if (isA<multiComponentMixture<constFluidHThermoPhysics>>(thermo))
{
return h0<constFluidHThermoPhysics>(thermo, Y, p, T);
}

37
applications/solvers/multiphase/reactingEulerFoam/interfacialCompositionModels/interfaceCompositionModels/InterfaceCompositionModel/InterfaceCompositionModels.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2015-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2015-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -45,7 +45,6 @@ License
#include "pureMixture.H"
#include "multiComponentMixture.H"
#include "reactingMixture.H"
#include "SpecieMixture.H"
#include "rhoThermo.H"
@ -64,32 +63,6 @@ License
multiComponentMixture, Thermo1, \
heRhoThermo, rhoReactionThermo, \
multiComponentMixture, Thermo2 \
); \
makeSpecieInterfaceCompositionType \
( \
Model, \
heRhoThermo, rhoReactionThermo, \
reactingMixture, Thermo1, \
heRhoThermo, rhoReactionThermo, \
multiComponentMixture, Thermo2 \
); \
\
/* Composition at an interface with a reacting mixture */ \
makeSpecieInterfaceCompositionType \
( \
Model, \
heRhoThermo, rhoReactionThermo, \
multiComponentMixture, Thermo1, \
heRhoThermo, rhoReactionThermo, \
reactingMixture, Thermo2 \
); \
makeSpecieInterfaceCompositionType \
( \
Model, \
heRhoThermo, rhoReactionThermo, \
reactingMixture, Thermo1, \
heRhoThermo, rhoReactionThermo, \
reactingMixture, Thermo2 \
);
#define makeInterfaceCompositionModel(Model, Thermo1, Thermo2) \
@ -102,14 +75,6 @@ License
multiComponentMixture, Thermo1, \
heRhoThermo, rhoThermo, \
pureMixture, Thermo2 \
); \
makeInterfaceCompositionType \
( \
Model, \
heRhoThermo, rhoReactionThermo, \
reactingMixture, Thermo1, \
heRhoThermo, rhoThermo, \
pureMixture, Thermo2 \
); \
\
/* Composition at an interface with non-pure mixtures */ \

1
etc/controlDict
View File

@ -535,7 +535,6 @@ DebugSwitches
hMixtureThermo<inhomogeneousMixture<constTransport<thermo<hConstThermo<perfectGas>>>>> 0;
hMixtureThermo<inhomogeneousMixture<sutherlandTransport<thermo<janafThermo<perfectGas>>>>> 0;
hMixtureThermo<multiComponentMixture<sutherlandTransport<thermo<janafThermo<perfectGas>>>>> 0;
hMixtureThermo<reactingMixture> 0;
hMixtureThermo<veryInhomogeneousMixture<constTransport<thermo<hConstThermo<perfectGas>>>>> 0;
hMixtureThermo<veryInhomogeneousMixture<sutherlandTransport<thermo<janafThermo<perfectGas>>>>> 0;
hThermo<pureMixture<constTransport<thermo<hConstThermo<perfectGas>>>>> 0;

12
src/combustionModels/singleStepCombustion/singleStepCombustion.C
View File

@ -147,8 +147,16 @@ singleStepCombustion<ReactionThermo, ThermoType>::singleStepCombustion
)
:
ThermoCombustion<ReactionThermo>(modelType, thermo, turb),
mixture_(dynamic_cast<const reactingMixture<ThermoType>&>(this->thermo())),
reactions_(mixture_.reactions()),
mixture_
(
dynamic_cast<const multiComponentMixture<ThermoType>&>(this->thermo())
),
reactions_
(
thermo,
mixture_.species(),
mixture_.speciesData()
),
stoicRatio_(dimensionedScalar("stoicRatio", dimless, 0)),
s_(dimensionedScalar("s", dimless, 0)),
qFuel_(dimensionedScalar("qFuel", sqr(dimVelocity), 0)),

9
src/combustionModels/singleStepCombustion/singleStepCombustion.H
View File

@ -25,7 +25,7 @@ Class
Foam::combustionModels::singleStepCombustion
Description
Base class for combustion models using reactingMixture.
Base class for combustion models using multiComponentMixture.
SourceFiles
singleStepCombustion.C
@ -35,8 +35,9 @@ SourceFiles
#ifndef singleStepCombustion_H
#define singleStepCombustion_H
#include "reactingMixture.H"
#include "multiComponentMixture.H"
#include "ThermoCombustion.H"
#include "ReactionList.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@ -58,10 +59,10 @@ protected:
// Protected data
const reactingMixture<ThermoType>& mixture_;
const multiComponentMixture<ThermoType>& mixture_;
//- Reactions
const PtrList<Reaction<ThermoType>>& reactions_;
ReactionList<ThermoType> reactions_;
//- Stoichiometric air-fuel mass ratio
dimensionedScalar stoicRatio_;

2
src/radiationModels/Make/files
View File

@ -29,7 +29,7 @@ absorptionEmissionModels/greyMeanSolid/greyMeanSolid.C
/* Soot model */
sootModels/sootModel/sootModel.C
sootModels/sootModel/sootModelNew.C
sootModels/mixtureFraction/mixtureFractions.C
/* sootModels/mixtureFraction/mixtureFractions.C */
sootModels/noSoot/noSoot.C
/* Boundary conditions */

12
src/radiationModels/sootModels/mixtureFraction/mixtureFraction.C
View File

@ -24,20 +24,20 @@ License
\*---------------------------------------------------------------------------*/
#include "mixtureFraction.H"
#include "reactingMixture.H"
#include "multiComponentMixture.H"
// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
template<class ThermoType>
const Foam::reactingMixture<ThermoType>&
const Foam::multiComponentMixture<ThermoType>&
Foam::radiationModels::sootModels::mixtureFraction<ThermoType>::checkThermo
(
const fluidThermo& thermo
)
{
if (isA<reactingMixture<ThermoType>>(thermo))
if (isA<multiComponentMixture<ThermoType>>(thermo))
{
return dynamic_cast<const reactingMixture<ThermoType>& >
return dynamic_cast<const multiComponentMixture<ThermoType>& >
(
thermo
);
@ -47,9 +47,9 @@ Foam::radiationModels::sootModels::mixtureFraction<ThermoType>::checkThermo
FatalErrorInFunction
<< "Inconsistent thermo package for " << thermo.type()
<< "Please select a thermo package based on "
<< "reactingMixture" << exit(FatalError);
<< "multiComponentMixture" << exit(FatalError);
return dynamic_cast<const reactingMixture<ThermoType>& >
return dynamic_cast<const multiComponentMixture<ThermoType>& >
(
thermo
);

18
src/radiationModels/sootModels/mixtureFraction/mixtureFraction.H
View File

@ -63,7 +63,7 @@ SourceFiles
#include "HashTable.H"
#include "fluidThermo.H"
#include "reactingMixture.H"
#include "multiComponentMixture.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@ -86,7 +86,7 @@ class mixtureFraction
// Static functions
//- Check mixture in thermo
static const reactingMixture<ThermoType>& checkThermo
static const multiComponentMixture<ThermoType>& checkThermo
(
const fluidThermo&
);
@ -118,8 +118,8 @@ class mixtureFraction
//- Thermo package
const fluidThermo& thermo_;
//- Auto Ptr to reactingMixture
const reactingMixture<ThermoType>& mixture_;
//- Auto Ptr to multiComponentMixture
const multiComponentMixture<ThermoType>& mixture_;
public:
@ -145,12 +145,6 @@ public:
// Member Functions
// Edit
//- Main update/correction routine
virtual void correct();
// Access
//- Return Ysoot
@ -159,6 +153,10 @@ public:
return soot_;
}
// Edit
//- Main update/correction routine
virtual void correct();
};

18
src/thermophysicalModels/chemistryModel/chemistryModel/StandardChemistryModel/StandardChemistryModel.C
View File

@ -24,7 +24,7 @@ License
\*---------------------------------------------------------------------------*/
#include "StandardChemistryModel.H"
#include "reactingMixture.H"
#include "multiComponentMixture.H"
#include "UniformField.H"
#include "extrapolatedCalculatedFvPatchFields.H"
@ -39,18 +39,18 @@ Foam::StandardChemistryModel<ReactionThermo, ThermoType>::StandardChemistryModel
BasicChemistryModel<ReactionThermo>(thermo),
ODESystem(),
Y_(this->thermo().composition().Y()),
reactions_
(
dynamic_cast<const reactingMixture<ThermoType>&>
(
this->thermo()
).reactions()
),
specieThermo_
(
dynamic_cast<const reactingMixture<ThermoType>&>
dynamic_cast<const multiComponentMixture<ThermoType>&>
(this->thermo()).speciesData()
),
reactions_
(
*this,
dynamic_cast<const multiComponentMixture<ThermoType>&>
(this->thermo()).species(),
specieThermo_
),
nSpecie_(Y_.size()),
nReaction_(reactions_.size()),

9
src/thermophysicalModels/chemistryModel/chemistryModel/StandardChemistryModel/StandardChemistryModel.H
View File

@ -39,10 +39,9 @@ SourceFiles
#define StandardChemistryModel_H
#include "BasicChemistryModel.H"
#include "Reaction.H"
#include "ReactionList.H"
#include "ODESystem.H"
#include "volFields.H"
#include "simpleMatrix.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@ -80,12 +79,12 @@ protected:
//- Reference to the field of specie mass fractions
PtrList<volScalarField>& Y_;
//- Reactions
const PtrList<Reaction<ThermoType>>& reactions_;
//- Thermodynamic data of the species
const PtrList<ThermoType>& specieThermo_;
//- Reactions
const ReactionList<ThermoType> reactions_;
//- Number of species
label nSpecie_;

2
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/TDACChemistryModel.C
View File

@ -70,7 +70,7 @@ Foam::TDACChemistryModel<ReactionThermo, ThermoType>::TDACChemistryModel
basicSpecieMixture& composition = this->thermo().composition();
const HashTable<List<specieElement>>& specComp =
dynamicCast<const reactingMixture<ThermoType>&>(this->thermo())
dynamicCast<const multiComponentMixture<ThermoType>&>(this->thermo())
.specieComposition();
forAll(specieComp_, i)

49
src/thermophysicalModels/reactionThermo/mixtures/reactingMixture/reactingMixture.C
View File

@ -1,49 +0,0 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2019 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 "reactingMixture.H"
#include "fvMesh.H"
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
template<class ThermoType>
Foam::reactingMixture<ThermoType>::reactingMixture
(
const dictionary& thermoDict,
const fvMesh& mesh,
const word& phaseName
)
:
multiComponentMixture<ThermoType>
(
thermoDict,
mesh,
phaseName
),
reactions_(thermoDict, this->species(), this->speciesData())
{}
// ************************************************************************* //

111
src/thermophysicalModels/reactionThermo/mixtures/reactingMixture/reactingMixture.H
View File

@ -1,111 +0,0 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2019 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/>.
Class
Foam::reactingMixture
Description
Foam::reactingMixture
SourceFiles
reactingMixture.C
\*---------------------------------------------------------------------------*/
#ifndef reactingMixture_H
#define reactingMixture_H
#include "multiComponentMixture.H"
#include "ReactionList.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
namespace Foam
{
/*---------------------------------------------------------------------------*\
Class reactingMixture Declaration
\*---------------------------------------------------------------------------*/
template<class ThermoType>
class reactingMixture
:
public multiComponentMixture<ThermoType>
{
// Private member data
ReactionList<ThermoType> reactions_;
public:
// Constructors
//- Construct from dictionary, mesh and phase name
reactingMixture(const dictionary&, const fvMesh&, const word&);
//- Disallow default bitwise copy construction
reactingMixture(const reactingMixture&) = delete;
//- Destructor
virtual ~reactingMixture()
{}
// Member Functions
//- Return the instantiated type name
static word typeName()
{
return "reactingMixture<" + ThermoType::typeName() + '>';
}
const PtrList<Reaction<ThermoType>>& reactions() const
{
return reactions_;
}
// Member Operators
//- Disallow default bitwise assignment
void operator=(const reactingMixture&) = delete;
};
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
} // End namespace Foam
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#ifdef NoRepository
#include "reactingMixture.C"
#endif
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#endif
// ************************************************************************* //

43
src/thermophysicalModels/reactionThermo/psiReactionThermo/psiReactionThermos.C
View File

@ -41,7 +41,6 @@ License
#include "inhomogeneousMixture.H"
#include "veryInhomogeneousMixture.H"
#include "multiComponentMixture.H"
#include "reactingMixture.H"
#include "singleComponentMixture.H"
#include "thermoPhysicsTypes.H"
@ -222,48 +221,6 @@ makeThermoPhysicsReactionThermos
);
// Reaction thermo for sensible enthalpy
makeThermoPhysicsReactionThermos
(
psiThermo,
psiReactionThermo,
hePsiThermo,
reactingMixture,
constGasHThermoPhysics
);
makeThermoPhysicsReactionThermos
(
psiThermo,
psiReactionThermo,
hePsiThermo,
reactingMixture,
gasHThermoPhysics
);
// Reaction thermo for internal energy
makeThermoPhysicsReactionThermos
(
psiThermo,
psiReactionThermo,
hePsiThermo,
reactingMixture,
constGasEThermoPhysics
);
makeThermoPhysicsReactionThermos
(
psiThermo,
psiReactionThermo,
hePsiThermo,
reactingMixture,
gasEThermoPhysics
);
// Single-component thermo for sensible enthalpy
makeThermoPhysicsReactionThermo

151
src/thermophysicalModels/reactionThermo/rhoReactionThermo/rhoReactionThermos.C
View File

@ -48,7 +48,6 @@ License
#include "inhomogeneousMixture.H"
#include "veryInhomogeneousMixture.H"
#include "multiComponentMixture.H"
#include "reactingMixture.H"
#include "singleComponentMixture.H"
#include "thermoPhysicsTypes.H"
@ -294,81 +293,6 @@ makeThermoPhysicsReactionThermos
);
// Reaction thermo for internal energy
makeThermoPhysicsReactionThermos
(
rhoThermo,
rhoReactionThermo,
heRhoThermo,
reactingMixture,
constGasEThermoPhysics
);
makeThermoPhysicsReactionThermos
(
rhoThermo,
rhoReactionThermo,
heRhoThermo,
reactingMixture,
gasEThermoPhysics
);
makeThermoPhysicsReactionThermos
(
rhoThermo,
rhoReactionThermo,
heRhoThermo,
reactingMixture,
constIncompressibleGasEThermoPhysics
);
makeThermoPhysicsReactionThermos
(
rhoThermo,
rhoReactionThermo,
heRhoThermo,
reactingMixture,
incompressibleGasEThermoPhysics
);
makeThermoPhysicsReactionThermos
(
rhoThermo,
rhoReactionThermo,
heRhoThermo,
reactingMixture,
icoPoly8EThermoPhysics
);
makeThermoPhysicsReactionThermos
(
rhoThermo,
rhoReactionThermo,
heRhoThermo,
reactingMixture,
constFluidEThermoPhysics
);
makeThermoPhysicsReactionThermos
(
rhoThermo,
rhoReactionThermo,
heRhoThermo,
reactingMixture,
constAdiabaticFluidEThermoPhysics
);
makeThermoPhysicsReactionThermos
(
rhoThermo,
rhoReactionThermo,
heRhoThermo,
reactingMixture,
constEThermoPhysics
);
// Single-component thermo for internal energy
makeThermoPhysicsReactionThermo
@ -548,81 +472,6 @@ makeThermoPhysicsReactionThermos
);
// Reaction thermo for sensible enthalpy
makeThermoPhysicsReactionThermos
(
rhoThermo,
rhoReactionThermo,
heRhoThermo,
reactingMixture,
constGasHThermoPhysics
);
makeThermoPhysicsReactionThermos
(
rhoThermo,
rhoReactionThermo,
heRhoThermo,
reactingMixture,
gasHThermoPhysics
);
makeThermoPhysicsReactionThermos
(
rhoThermo,
rhoReactionThermo,
heRhoThermo,
reactingMixture,
constIncompressibleGasHThermoPhysics
);
makeThermoPhysicsReactionThermos
(
rhoThermo,
rhoReactionThermo,
heRhoThermo,
reactingMixture,
incompressibleGasHThermoPhysics
);
makeThermoPhysicsReactionThermos
(
rhoThermo,
rhoReactionThermo,
heRhoThermo,
reactingMixture,
icoPoly8HThermoPhysics
);
makeThermoPhysicsReactionThermos
(
rhoThermo,
rhoReactionThermo,
heRhoThermo,
reactingMixture,
constFluidHThermoPhysics
);
makeThermoPhysicsReactionThermos
(
rhoThermo,
rhoReactionThermo,
heRhoThermo,
reactingMixture,
constAdiabaticFluidHThermoPhysics
);
makeThermoPhysicsReactionThermos
(
rhoThermo,
rhoReactionThermo,
heRhoThermo,
reactingMixture,
constHThermoPhysics
);
// Single-component thermo for sensible enthalpy
makeThermoPhysicsReactionThermo

18
src/thermophysicalModels/solidChemistryModel/solidChemistryModel/solidChemistryModel.C
View File

@ -24,7 +24,7 @@ License
\*---------------------------------------------------------------------------*/
#include "solidChemistryModel.H"
#include "reactingMixture.H"
#include "multiComponentMixture.H"
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
@ -37,20 +37,20 @@ Foam::solidChemistryModel<CompType, SolidThermo>::solidChemistryModel
CompType(thermo),
ODESystem(),
Ys_(this->solidThermo().composition().Y()),
reactions_
(
dynamic_cast<const reactingMixture<SolidThermo>&>
(
this->solidThermo()
).reactions()
),
solidThermo_
(
dynamic_cast<const reactingMixture<SolidThermo>&>
dynamic_cast<const multiComponentMixture<SolidThermo>&>
(
this->solidThermo()
).speciesData()
),
reactions_
(
*this,
dynamic_cast<const multiComponentMixture<SolidThermo>&>
(this->solidThermo()).species(),
solidThermo_
),
nSolids_(Ys_.size()),
nReaction_(reactions_.size()),
RRs_(nSolids_),

9
src/thermophysicalModels/solidChemistryModel/solidChemistryModel/solidChemistryModel.H
View File

@ -39,10 +39,9 @@ SourceFiles
#ifndef solidChemistryModel_H
#define solidChemistryModel_H
#include "Reaction.H"
#include "ReactionList.H"
#include "ODESystem.H"
#include "volFields.H"
#include "simpleMatrix.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@ -67,12 +66,12 @@ protected:
//- Reference to solid mass fractions
PtrList<volScalarField>& Ys_;
//- Reactions
const PtrList<Reaction<SolidThermo>>& reactions_;
//- Thermodynamic data of solids
const PtrList<SolidThermo>& solidThermo_;
//- Reactions
const ReactionList<SolidThermo> reactions_;
//- Number of solid components
label nSolids_;

20
src/thermophysicalModels/solidThermo/solidReactionThermo/solidReactionThermos.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2011-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -35,7 +35,6 @@ License
#include "constAnIsoSolidTransport.H"
#include "exponentialSolidTransport.H"
#include "reactingMixture.H"
#include "multiComponentMixture.H"
#include "sensibleEnthalpy.H"
@ -53,7 +52,7 @@ makeReactingSolidThermo
(
solidReactionThermo,
heSolidThermo,
reactingMixture,
multiComponentMixture,
constIsoSolidTransport,
sensibleEnthalpy,
hConstThermo,
@ -66,23 +65,10 @@ makeReactingSolidThermo
(
solidReactionThermo,
heSolidThermo,
reactingMixture,
constIsoSolidTransport,
sensibleEnthalpy,
hPowerThermo,
rhoConst,
specie
);
makeReactingSolidThermo
(
solidThermo,
heSolidThermo,
multiComponentMixture,
constIsoSolidTransport,
sensibleEnthalpy,
hConstThermo,
hPowerThermo,
rhoConst,
specie
);

1
tutorials/combustion/chemFoam/gri/constant/chemistryProperties
View File

@ -37,5 +37,6 @@ odeCoeffs
relTol 1e-1;
}
#include "reactions"
// ************************************************************************* //

3
tutorials/combustion/chemFoam/gri/constant/thermophysicalProperties
View File

@ -18,7 +18,7 @@ FoamFile
thermoType
{
type heRhoThermo;
mixture reactingMixture;
mixture multiComponentMixture;
transport sutherland;
thermo janaf;
energy sensibleEnthalpy;
@ -27,6 +27,5 @@ thermoType
}
#include "speciesThermo"
#include "reactions"
// ************************************************************************* //

1
tutorials/combustion/chemFoam/h2/constant/chemistryProperties
View File

@ -37,5 +37,6 @@ odeCoeffs
relTol 1e-1;
}
#include "reactions"
// ************************************************************************* //

3
tutorials/combustion/chemFoam/h2/constant/thermophysicalProperties
View File

@ -18,7 +18,7 @@ FoamFile
thermoType
{
type heRhoThermo;
mixture reactingMixture;
mixture multiComponentMixture;
transport sutherland;
thermo janaf;
energy sensibleEnthalpy;
@ -27,6 +27,5 @@ thermoType
}
#include "speciesThermo"
#include "reactions"
// ************************************************************************* //

1
tutorials/combustion/chemFoam/ic8h18/constant/chemistryProperties
View File

@ -37,5 +37,6 @@ odeCoeffs
relTol 1e-1;
}
#include "reactions"
// ************************************************************************* //

3
tutorials/combustion/chemFoam/ic8h18/constant/thermophysicalProperties
View File

@ -18,7 +18,7 @@ FoamFile
thermoType
{
type heRhoThermo;
mixture reactingMixture;
mixture multiComponentMixture;
transport sutherland;
thermo janaf;
energy sensibleEnthalpy;
@ -27,6 +27,5 @@ thermoType
}
#include "speciesThermo"
#include "reactions"
// ************************************************************************* //

1
tutorials/combustion/chemFoam/ic8h18_TDAC/constant/chemistryProperties
View File

@ -53,5 +53,6 @@ tabulation
method none;
}
#include "reactions"
// ************************************************************************* //

3
tutorials/combustion/chemFoam/ic8h18_TDAC/constant/thermophysicalProperties
View File

@ -18,7 +18,7 @@ FoamFile
thermoType
{
type heRhoThermo;
mixture reactingMixture;
mixture multiComponentMixture;
transport sutherland;
thermo janaf;
energy sensibleEnthalpy;
@ -27,6 +27,5 @@ thermoType
}
#include "speciesThermo"
#include "reactions"
// ************************************************************************* //

1
tutorials/combustion/chemFoam/nc7h16/constant/chemistryProperties
View File

@ -37,5 +37,6 @@ odeCoeffs
relTol 1e-1;
}
#include "reactions"
// ************************************************************************* //

3
tutorials/combustion/chemFoam/nc7h16/constant/thermophysicalProperties
View File

@ -18,7 +18,7 @@ FoamFile
thermoType
{
type heRhoThermo;
mixture reactingMixture;
mixture multiComponentMixture;
transport sutherland;
thermo janaf;
energy sensibleEnthalpy;
@ -27,6 +27,5 @@ thermoType
}
#include "speciesThermo"
#include "reactions"
// ************************************************************************* //

2
tutorials/combustion/coldEngineFoam/freePiston/constant/thermophysicalProperties
View File

@ -18,7 +18,7 @@ FoamFile
thermoType
{
type hePsiThermo;
mixture reactingMixture;
mixture multiComponentMixture;
transport sutherland;
thermo janaf;
equationOfState perfectGas;

2
tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/pyrolysisRegion/chemistryProperties
View File

@ -31,4 +31,6 @@ odeCoeffs
eps 0.05;
}
#include "reactions"
// ************************************************************************* //

6
tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/pyrolysisRegion/reactions
View File

@ -15,12 +15,6 @@ FoamFile
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
species
(
wood
char
);
gaseousSpecies
(
gas

6
tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/pyrolysisRegion/thermo.solid
View File

@ -15,6 +15,12 @@ FoamFile
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
species
(
wood
char
);
wood
{
specie

3
tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/pyrolysisRegion/thermophysicalProperties
View File

@ -17,7 +17,7 @@ FoamFile
thermoType
{
type heSolidThermo;
mixture reactingMixture;
mixture multiComponentMixture;
transport constIso;
thermo hConst;
equationOfState rhoConst;
@ -56,6 +56,5 @@ gas
}
#include "thermo.solid"
#include "reactions"
// ************************************************************************* //

10
tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/reactions
View File

@ -15,15 +15,6 @@ FoamFile
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
species
(
O2
H2O
C3H8
CO2
N2
);
reactions
{
propaneReaction
@ -33,5 +24,4 @@ reactions
}
}
// ************************************************************************* //

9
tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/thermo.compressibleGas
View File

@ -15,6 +15,15 @@ FoamFile
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
species
(
O2
H2O
C3H8
CO2
N2
);
O2
{
specie

7
tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/thermophysicalProperties
View File

@ -18,7 +18,7 @@ FoamFile
thermoType
{
type hePsiThermo;
mixture reactingMixture;
mixture multiComponentMixture;
transport sutherland;
thermo janaf;
energy sensibleEnthalpy;
@ -30,9 +30,6 @@ inertSpecie N2;
fuel C3H8;
#include "reactions"
#include "thermo.compressibleGas"
liquids
@ -45,4 +42,6 @@ solids
{
}
#include "reactions"
// ************************************************************************* //

1
tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/panelRegion/chemistryProperties
View File

@ -32,5 +32,6 @@ odeCoeffs
relTol 0.01;
}
#include "reactions"
// ************************************************************************* //

6
tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/panelRegion/reactions
View File

@ -15,12 +15,6 @@ FoamFile
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
species
(
wood
char
);
gaseousSpecies
(
gas

6
tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/panelRegion/thermo.solid
View File

@ -15,6 +15,12 @@ FoamFile
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
species
(
wood
char
);
wood
{
specie

3
tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/panelRegion/thermophysicalProperties
View File

@ -17,7 +17,7 @@ FoamFile
thermoType
{
type heSolidThermo;
mixture reactingMixture;
mixture multiComponentMixture;
transport constIso;
thermo hConst;
equationOfState rhoConst;
@ -57,6 +57,5 @@ gas
}
#include "thermo.solid"
#include "reactions"
// ************************************************************************* //

7
tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/thermophysicalProperties
View File

@ -18,7 +18,7 @@ FoamFile
thermoType
{
type hePsiThermo;
mixture reactingMixture;
mixture multiComponentMixture;
transport sutherland;
thermo janaf;
energy sensibleEnthalpy;
@ -30,10 +30,7 @@ inertSpecie N2;
fuel C3H8;
#include "thermo.compressibleGas"
#include "reactions"
#include "thermo.compressibleGas"
// ************************************************************************* //

2
tutorials/combustion/fireFoam/LES/smallPoolFire2D/constant/radiationProperties
View File

@ -185,7 +185,7 @@ greyMeanCombustionCoeffs
scatterModel none;
sootModel mixtureFraction<gasHThermoPhysics>;
sootModel none; // mixtureFraction<gasHThermoPhysics>;
mixtureFractionCoeffs
{

2
tutorials/combustion/fireFoam/LES/smallPoolFire2D/constant/thermophysicalProperties
View File

@ -18,7 +18,7 @@ FoamFile
thermoType
{
type hePsiThermo;
mixture reactingMixture;
mixture multiComponentMixture;
transport sutherland;
thermo janaf;
energy sensibleEnthalpy;

28
tutorials/combustion/fireFoam/LES/smallPoolFire3D/constant/chemistryProperties
View File

@ -1,28 +0,0 @@
/*--------------------------------*- C++ -*----------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Version: dev
\\/ M anipulation |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object chemistryProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
chemistryType
{
solver noChemistrySolver;
}
chemistry off;
initialChemicalTimeStep 1e-07;
// ************************************************************************* //

10
tutorials/combustion/fireFoam/LES/smallPoolFire3D/constant/reactions
View File

@ -15,15 +15,6 @@ FoamFile
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
species
(
O2
H2O
CH4
CO2
N2
);
reactions
{
propaneReaction
@ -33,5 +24,4 @@ reactions
}
}
// ************************************************************************* //

9
tutorials/combustion/fireFoam/LES/smallPoolFire3D/constant/thermo.compressibleGas
View File

@ -15,6 +15,15 @@ FoamFile
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
species
(
O2
H2O
CH4
CO2
N2
);
O2
{
specie

7
tutorials/combustion/fireFoam/LES/smallPoolFire3D/constant/thermophysicalProperties
View File

@ -18,7 +18,7 @@ FoamFile
thermoType
{
type hePsiThermo;
mixture reactingMixture;
mixture multiComponentMixture;
transport sutherland;
thermo janaf;
energy sensibleEnthalpy;
@ -30,10 +30,7 @@ inertSpecie N2;
fuel CH4;
#include "thermo.compressibleGas"
#include "reactions"
#include "thermo.compressibleGas"
// ************************************************************************* //

1
tutorials/combustion/reactingFoam/RAS/DLR_A_LTS/constant/chemistryProperties
View File

@ -140,5 +140,6 @@ tabulation
variableTimeStep true;
}
#include "reactionsGRI"
// ************************************************************************* //

3
tutorials/combustion/reactingFoam/RAS/DLR_A_LTS/constant/thermophysicalProperties
View File

@ -19,7 +19,7 @@ thermoType
{
type hePsiThermo;
mixture reactingMixture;
mixture multiComponentMixture;
transport sutherland;
thermo janaf;
energy sensibleEnthalpy;
@ -30,6 +30,5 @@ thermoType
inertSpecie N2;
#include "thermo.compressibleGasGRI"
#include "reactionsGRI"
// ************************************************************************* //

2
tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/chemistryProperties.orig
View File

@ -53,4 +53,6 @@ tabulation
tolerance 3e-3;
}
#include "reactionsGRI"
// ************************************************************************* //

118
tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/reactionsGRI
View File

@ -1,56 +1,3 @@
elements
5
(
O
H
C
N
Ar
)
;
species
36
(
H2
H
O
O2
OH
H2O
HO2
H2O2
C
CH
CH2
CH2(S)
CH3
CH4
CO
CO2
HCO
CH2O
CH2OH
CH3O
CH3OH
C2H
C2H2
C2H3
C2H4
C2H5
C2H6
HCCO
CH2CO
HCCOH
N2
AR
C3H7
C3H8
CH2CHO
CH3CHO
)
;
reactions
{
un-named-reaction-0
@ -60,7 +7,7 @@ reactions
A 1.2e+11;
beta -1;
Ta 0;
coeffs
coeffs
36
(
(H2 2.4)
@ -109,7 +56,7 @@ reactions
A 5e+11;
beta -1;
Ta 0;
coeffs
coeffs
36
(
(H2 2)
@ -244,7 +191,7 @@ reactions
}
thirdBodyEfficiencies
{
coeffs
coeffs
36
(
(H2 2)
@ -454,7 +401,7 @@ reactions
A 2.8e+12;
beta -0.86;
Ta 0;
coeffs
coeffs
36
(
(H2 1)
@ -543,7 +490,7 @@ reactions
A 1e+12;
beta -1;
Ta 0;
coeffs
coeffs
36
(
(H2 0)
@ -616,7 +563,7 @@ reactions
A 2.2e+16;
beta -2;
Ta 0;
coeffs
coeffs
36
(
(H2 0.73)
@ -731,7 +678,7 @@ reactions
}
thirdBodyEfficiencies
{
coeffs
coeffs
36
(
(H2 2)
@ -807,7 +754,7 @@ reactions
}
thirdBodyEfficiencies
{
coeffs
coeffs
36
(
(H2 2)
@ -883,7 +830,7 @@ reactions
}
thirdBodyEfficiencies
{
coeffs
coeffs
36
(
(H2 2)
@ -959,7 +906,7 @@ reactions
}
thirdBodyEfficiencies
{
coeffs
coeffs
36
(
(H2 2)
@ -1027,7 +974,7 @@ reactions
}
thirdBodyEfficiencies
{
coeffs
coeffs
36
(
(H2 2)
@ -1103,7 +1050,7 @@ reactions
}
thirdBodyEfficiencies
{
coeffs
coeffs
36
(
(H2 2)
@ -1195,7 +1142,7 @@ reactions
}
thirdBodyEfficiencies
{
coeffs
coeffs
36
(
(H2 2)
@ -1311,7 +1258,7 @@ reactions
}
thirdBodyEfficiencies
{
coeffs
coeffs
36
(
(H2 2)
@ -1379,7 +1326,7 @@ reactions
}
thirdBodyEfficiencies
{
coeffs
coeffs
36
(
(H2 2)
@ -1447,7 +1394,7 @@ reactions
}
thirdBodyEfficiencies
{
coeffs
coeffs
36
(
(H2 2)
@ -1523,7 +1470,7 @@ reactions
}
thirdBodyEfficiencies
{
coeffs
coeffs
36
(
(H2 2)
@ -1599,7 +1546,7 @@ reactions
}
thirdBodyEfficiencies
{
coeffs
coeffs
36
(
(H2 2)
@ -1715,7 +1662,7 @@ reactions
}
thirdBodyEfficiencies
{
coeffs
coeffs
36
(
(H2 2)
@ -1791,7 +1738,7 @@ reactions
}
thirdBodyEfficiencies
{
coeffs
coeffs
36
(
(H2 2)
@ -1931,7 +1878,7 @@ reactions
}
thirdBodyEfficiencies
{
coeffs
coeffs
36
(
(H2 2)
@ -2279,7 +2226,7 @@ reactions
}
thirdBodyEfficiencies
{
coeffs
coeffs
36
(
(H2 2)
@ -2411,7 +2358,7 @@ reactions
}
thirdBodyEfficiencies
{
coeffs
coeffs
36
(
(H2 2)
@ -2527,7 +2474,7 @@ reactions
}
thirdBodyEfficiencies
{
coeffs
coeffs
36
(
(H2 2)
@ -2675,7 +2622,7 @@ reactions
}
thirdBodyEfficiencies
{
coeffs
coeffs
36
(
(H2 2)
@ -2789,7 +2736,7 @@ reactions
A 1.87e+14;
beta -1;
Ta 8554.25106;
coeffs
coeffs
36
(
(H2 2)
@ -2904,7 +2851,7 @@ reactions
}
thirdBodyEfficiencies
{
coeffs
coeffs
36
(
(H2 2)
@ -3036,7 +2983,7 @@ reactions
}
thirdBodyEfficiencies
{
coeffs
coeffs
36
(
(H2 2)
@ -3216,7 +3163,7 @@ reactions
}
thirdBodyEfficiencies
{
coeffs
coeffs
36
(
(H2 2)
@ -3340,7 +3287,7 @@ reactions
}
thirdBodyEfficiencies
{
coeffs
coeffs
36
(
(H2 2)
@ -3448,7 +3395,7 @@ reactions
}
thirdBodyEfficiencies
{
coeffs
coeffs
36
(
(H2 2)
@ -3524,7 +3471,7 @@ reactions
}
thirdBodyEfficiencies
{
coeffs
coeffs
36
(
(H2 2)
@ -3608,6 +3555,5 @@ reactions
Ta 0;
}
}
Tlow 250;
Thigh 5000;

2
tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/thermo.compressibleGasGRI
View File

@ -1,3 +1,5 @@
species 36 ( H2 H O O2 OH H2O HO2 H2O2 C CH CH2 CH2(S) CH3 CH4 CO CO2 HCO CH2O CH2OH CH3O CH3OH C2H C2H2 C2H3 C2H4 C2H5 C2H6 HCCO CH2CO HCCOH N2 AR C3H7 C3H8 CH2CHO CH3CHO );
OH
{
specie

3
tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/thermophysicalProperties
View File

@ -18,7 +18,7 @@ FoamFile
thermoType
{
type hePsiThermo;
mixture reactingMixture;
mixture multiComponentMixture;
transport sutherland;
thermo janaf;
energy sensibleEnthalpy;
@ -29,6 +29,5 @@ thermoType
inertSpecie N2;
#include "thermo.compressibleGasGRI"
#include "reactionsGRI"
// ************************************************************************* //

2
tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/system/controlDict
View File

@ -18,7 +18,7 @@ application reactingFoam;
startFrom startTime;
startTime 10;
startTime 0;
stopAt endTime;

2
tutorials/combustion/reactingFoam/RAS/membrane/constant/thermophysicalProperties
View File

@ -18,7 +18,7 @@ FoamFile
thermoType
{
type hePsiThermo;
mixture reactingMixture;
mixture multiComponentMixture;
transport sutherland;
thermo janaf;
energy sensibleEnthalpy;

2
tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/chemistryProperties
View File

@ -37,4 +37,6 @@ odeCoeffs
relTol 0.01;
}
#include "reactions"
// ************************************************************************* //

19
tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/reactions
View File

@ -15,24 +15,6 @@ Notes:
configuration. It should not be considered general-purpose.
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object reactions;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
species
(
O2
H2O
CH4
CO2
N2
);
reactions
{
@ -46,5 +28,4 @@ reactions
}
}
// ************************************************************************* //

18
tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/thermo.compressibleGas
View File

@ -5,15 +5,15 @@
\\ / A nd | Version: dev
\\/ M anipulation |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object thermo.compressibleGas;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
species
(
O2
H2O
CH4
CO2
N2
);
O2
{

6
tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/thermophysicalProperties
View File

@ -18,7 +18,7 @@ FoamFile
thermoType
{
type hePsiThermo;
mixture reactingMixture;
mixture multiComponentMixture;
transport sutherland;
thermo janaf;
energy sensibleEnthalpy;
@ -28,10 +28,6 @@ thermoType
inertSpecie N2;
#include "reactions"
#include "thermo.compressibleGas"
// ************************************************************************* //

2
tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS/constant/chemistryProperties
View File

@ -37,4 +37,6 @@ odeCoeffs
relTol 0.01;
}
#include "reactions"
// ************************************************************************* //

19
tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS/constant/reactions
View File

@ -15,24 +15,6 @@ Notes:
configuration. It should not be considered general-purpose.
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object reactions;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
species
(
O2
H2O
CH4
CO2
N2
);
reactions
{
@ -46,5 +28,4 @@ reactions
}
}
// ************************************************************************* //

18
tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS/constant/thermo.compressibleGas
View File

@ -5,15 +5,15 @@
\\ / A nd | Version: dev
\\/ M anipulation |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object thermo.compressibleGas;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
species
(
O2
H2O
CH4
CO2
N2
);
O2
{

6
tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS/constant/thermophysicalProperties
View File

@ -18,7 +18,7 @@ FoamFile
thermoType
{
type hePsiThermo;
mixture reactingMixture;
mixture multiComponentMixture;
transport sutherland;
thermo janaf;
energy sensibleEnthalpy;
@ -28,10 +28,6 @@ thermoType
inertSpecie N2;
#include "reactions"
#include "thermo.compressibleGas"
// ************************************************************************* //

2
tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/chemistryProperties
View File

@ -45,4 +45,6 @@ tabulation
tolerance 3e-3;
}
#include "reactionsGRI"
// ************************************************************************* //

70
tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/reactionsGRI
View File

@ -1,73 +1,3 @@
elements
5
(
O
H
C
N
Ar
)
;
species
53
(
CH4
CH2O
CH3O
H
O2
H2
O
OH
H2O
HO2
H2O2
C
CH
CH2
CH2(S)
CH3
CO
CO2
HCO
CH2OH
CH3OH
C2H
C2H2
C2H3
C2H4
C2H5
C2H6
HCCO
CH2CO
HCCOH
N
NH
NH2
NH3
NNH
NO
NO2
N2O
HNO
CN
HCN
H2CN
HCNN
HCNO
HOCN
HNCO
NCO
N2
AR
C3H7
C3H8
CH2CHO
CH3CHO
)
;
reactions
{
un-named-reaction-0

59
tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermo.compressibleGasGRI
View File

@ -1,3 +1,62 @@
species
53
(
CH4
CH2O
CH3O
H
O2
H2
O
OH
H2O
HO2
H2O2
C
CH
CH2
CH2(S)
CH3
CO
CO2
HCO
CH2OH
CH3OH
C2H
C2H2
C2H3
C2H4
C2H5
C2H6
HCCO
CH2CO
HCCOH
N
NH
NH2
NH3
NNH
NO
NO2
N2O
HNO
CN
HCN
H2CN
HCNN
HCNO
HOCN
HNCO
NCO
N2
AR
C3H7
C3H8
CH2CHO
CH3CHO
)
;
OH
{
specie

4
tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermophysicalProperties
View File

@ -18,7 +18,7 @@ FoamFile
thermoType
{
type hePsiThermo;
mixture reactingMixture;
mixture multiComponentMixture;
transport sutherland;
thermo janaf;
energy sensibleEnthalpy;
@ -28,8 +28,6 @@ thermoType
inertSpecie N2;
#include "reactionsGRI"
#include "thermo.compressibleGasGRI"
// ************************************************************************* //

1
tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI/constant/chemistryProperties
View File

@ -30,5 +30,6 @@ odeCoeffs
relTol 0.1;
}
#include "reactionsGRI"
// ************************************************************************* //

70
tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI/constant/reactionsGRI
View File

@ -1,73 +1,3 @@
elements
5
(
O
H
C
N
Ar
)
;
species
53
(
CH4
CH2O
CH3O
H
O2
H2
O
OH
H2O
HO2
H2O2
C
CH
CH2
CH2(S)
CH3
CO
CO2
HCO
CH2OH
CH3OH
C2H
C2H2
C2H3
C2H4
C2H5
C2H6
HCCO
CH2CO
HCCOH
N
NH
NH2
NH3
NNH
NO
NO2
N2O
HNO
CN
HCN
H2CN
HCNN
HCNO
HOCN
HNCO
NCO
N2
AR
C3H7
C3H8
CH2CHO
CH3CHO
)
;
reactions
{
un-named-reaction-0

59
tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI/constant/thermo.compressibleGasGRI
View File

@ -1,3 +1,62 @@
species
53
(
CH4
CH2O
CH3O
H
O2
H2
O
OH
H2O
HO2
H2O2
C
CH
CH2
CH2(S)
CH3
CO
CO2
HCO
CH2OH
CH3OH
C2H
C2H2
C2H3
C2H4
C2H5
C2H6
HCCO
CH2CO
HCCOH
N
NH
NH2
NH3
NNH
NO
NO2
N2O
HNO
CN
HCN
H2CN
HCNN
HCNO
HOCN
HNCO
NCO
N2
AR
C3H7
C3H8
CH2CHO
CH3CHO
)
;
OH
{
specie

4
tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI/constant/thermophysicalProperties
View File

@ -18,7 +18,7 @@ FoamFile
thermoType
{
type hePsiThermo;
mixture reactingMixture;
mixture multiComponentMixture;
transport sutherland;
thermo janaf;
energy sensibleEnthalpy;
@ -28,8 +28,6 @@ thermoType
inertSpecie N2;
#include "reactionsGRI"
#include "thermo.compressibleGasGRI"
// ************************************************************************* //

2
tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/chemistryProperties
View File

@ -45,4 +45,6 @@ tabulation
tolerance 3e-3;
}
#include "reactionsGRI"
// ************************************************************************* //

70
tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/reactionsGRI
View File

@ -1,73 +1,3 @@
elements
5
(
O
H
C
N
Ar
)
;
species
53
(
CH4
CH2O
CH3O
H
O2
H2
O
OH
H2O
HO2
H2O2
C
CH
CH2
CH2(S)
CH3
CO
CO2
HCO
CH2OH
CH3OH
C2H
C2H2
C2H3
C2H4
C2H5
C2H6
HCCO
CH2CO
HCCOH
N
NH
NH2
NH3
NNH
NO
NO2
N2O
HNO
CN
HCN
H2CN
HCNN
HCNO
HOCN
HNCO
NCO
N2
AR
C3H7
C3H8
CH2CHO
CH3CHO
)
;
reactions
{
un-named-reaction-0

59
tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/thermo.compressibleGasGRI
View File

@ -1,3 +1,62 @@
species
53
(
CH4
CH2O
CH3O
H
O2
H2
O
OH
H2O
HO2
H2O2
C
CH
CH2
CH2(S)
CH3
CO
CO2
HCO
CH2OH
CH3OH
C2H
C2H2
C2H3
C2H4
C2H5
C2H6
HCCO
CH2CO
HCCOH
N
NH
NH2
NH3
NNH
NO
NO2
N2O
HNO
CN
HCN
H2CN
HCNN
HCNO
HOCN
HNCO
NCO
N2
AR
C3H7
C3H8
CH2CHO
CH3CHO
)
;
OH
{
specie

4
tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/thermophysicalProperties
View File

@ -18,7 +18,7 @@ FoamFile
thermoType
{
type hePsiThermo;
mixture reactingMixture;
mixture multiComponentMixture;
transport sutherland;
thermo janaf;
energy sensibleEnthalpy;
@ -28,8 +28,6 @@ thermoType
inertSpecie N2;
#include "reactionsGRI"
#include "thermo.compressibleGasGRI"
// ************************************************************************* //

1
tutorials/heatTransfer/chtMultiRegionFoam/reverseBurner/constant/gas/chemistryProperties
View File

@ -36,5 +36,6 @@ EulerImplicitCoeffs
equilibriumRateLimiter off;
}
#include "reactions"
// ************************************************************************* //

19
tutorials/heatTransfer/chtMultiRegionFoam/reverseBurner/constant/gas/reactions
View File

@ -22,24 +22,6 @@ Notes:
divergence in regions without any fuel.
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant/gas";
object reactions;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
species
(
O2
H2O
CH4
CO2
N2
);
reactions
{
@ -53,5 +35,4 @@ reactions
}
}
// ************************************************************************* //

18
tutorials/heatTransfer/chtMultiRegionFoam/reverseBurner/constant/gas/thermo.compressibleGas
View File

@ -5,15 +5,15 @@
\\ / A nd | Version: dev
\\/ M anipulation |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object thermo.compressibleGas;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
species
(
O2
H2O
CH4
CO2
N2
);
O2
{

3
tutorials/heatTransfer/chtMultiRegionFoam/reverseBurner/constant/gas/thermophysicalProperties
View File

@ -18,7 +18,7 @@ FoamFile
thermoType
{
type heRhoThermo;
mixture reactingMixture;
mixture multiComponentMixture;
transport sutherland;
thermo janaf;
equationOfState incompressiblePerfectGas;
@ -29,6 +29,5 @@ thermoType
inertSpecie N2;
#include "thermo.compressibleGas"
#include "reactions"
// ************************************************************************* //

1
tutorials/lagrangian/coalChemistryFoam/simplifiedSiwek/constant/chemistryProperties
View File

@ -37,5 +37,6 @@ odeCoeffs
relTol 1e-1;
}
#include "reactions"
// ************************************************************************* //

5
tutorials/lagrangian/coalChemistryFoam/simplifiedSiwek/constant/thermophysicalProperties
View File

@ -18,7 +18,7 @@ FoamFile
thermoType
{
type hePsiThermo;
mixture reactingMixture;
mixture multiComponentMixture;
transport sutherland;
thermo janaf;
energy sensibleEnthalpy;
@ -26,11 +26,8 @@ thermoType
specie specie;
}
#include "speciesThermo"
#include "reactions"
inertSpecie N2;
liquids

2
tutorials/lagrangian/reactingParcelFoam/counterFlowFlame2DLTS/constant/chemistryProperties
View File

@ -37,4 +37,6 @@ odeCoeffs
relTol 0.01;
}
#include "reactions"
// ************************************************************************* //

19
tutorials/lagrangian/reactingParcelFoam/counterFlowFlame2DLTS/constant/reactions
View File

@ -15,24 +15,6 @@ Notes:
configuration. It should not be considered general-purpose.
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object reactions;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
species
(
O2
H2O
CH4
CO2
N2
);
reactions
{
@ -46,5 +28,4 @@ reactions
}
}
// ************************************************************************* //

18
tutorials/lagrangian/reactingParcelFoam/counterFlowFlame2DLTS/constant/thermo.compressibleGas
View File

@ -5,15 +5,15 @@
\\ / A nd | Version: dev
\\/ M anipulation |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object thermo.compressibleGas;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
species
(
O2
H2O
CH4
CO2
N2
);
O2
{

6
tutorials/lagrangian/reactingParcelFoam/counterFlowFlame2DLTS/constant/thermophysicalProperties
View File

@ -18,7 +18,7 @@ FoamFile
thermoType
{
type heRhoThermo;
mixture reactingMixture;
mixture multiComponentMixture;
transport sutherland;
thermo janaf;
energy sensibleEnthalpy;
@ -28,10 +28,6 @@ thermoType
inertSpecie N2;
#include "reactions"
#include "thermo.compressibleGas"
// ************************************************************************* //

1
tutorials/lagrangian/reactingParcelFoam/cylinder/constant/chemistryProperties
View File

@ -24,5 +24,6 @@ chemistry off;
initialChemicalTimeStep 1e-07;
#include "reactions"
// ************************************************************************* //

5
tutorials/lagrangian/reactingParcelFoam/cylinder/constant/thermophysicalProperties
View File

@ -18,7 +18,7 @@ FoamFile
thermoType
{
type heRhoThermo;
mixture reactingMixture;
mixture multiComponentMixture;
transport sutherland;
thermo janaf;
energy sensibleEnthalpy;
@ -26,9 +26,6 @@ thermoType
specie specie;
}
#include "reactions"
#include "speciesThermo"
inertSpecie N2;

1
tutorials/lagrangian/reactingParcelFoam/filter/constant/chemistryProperties
View File

@ -36,5 +36,6 @@ odeCoeffs
eps 0.05;
}
#include "reactions"
// ************************************************************************* //

17
tutorials/lagrangian/reactingParcelFoam/filter/constant/reactions
View File

@ -5,25 +5,8 @@
\\ / A nd | Version: dev
\\/ M anipulation |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object reactions;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
species
(
N2
O2
H2O
);
reactions
{}
// ************************************************************************* //

16
tutorials/lagrangian/reactingParcelFoam/filter/constant/thermo.incompressiblePoly
View File

@ -5,15 +5,13 @@
\\ / A nd | Version: dev
\\/ M anipulation |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object thermo.incompressiblePoly;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
species
(
N2
O2
H2O
);
N2
{

5
tutorials/lagrangian/reactingParcelFoam/filter/constant/thermophysicalProperties
View File

@ -18,7 +18,7 @@ FoamFile
thermoType
{
type heRhoThermo;
mixture reactingMixture;
mixture multiComponentMixture;
transport polynomial;
thermo hPolynomial;
energy sensibleInternalEnergy;
@ -26,9 +26,6 @@ thermoType
specie specie;
}
#include "reactions"
#include "thermo.incompressiblePoly"
liquids

1
tutorials/lagrangian/reactingParcelFoam/hotBoxes/constant/chemistryProperties
View File

@ -24,5 +24,6 @@ chemistry off;
initialChemicalTimeStep 1e-07;
#include "reactions"
// ************************************************************************* //

5
tutorials/lagrangian/reactingParcelFoam/hotBoxes/constant/thermophysicalProperties
View File

@ -18,7 +18,7 @@ FoamFile
thermoType
{
type heRhoThermo;
mixture reactingMixture;
mixture multiComponentMixture;
transport sutherland;
thermo janaf;
energy sensibleEnthalpy;
@ -26,9 +26,6 @@ thermoType
specie specie;
}
#include "reactions"
#include "speciesThermo"
inertSpecie N2;

2
tutorials/lagrangian/reactingParcelFoam/parcelInBox/constant/chemistryProperties
View File

@ -24,4 +24,6 @@ chemistry off;
initialChemicalTimeStep 1e-7;
#include "reactions"
// ************************************************************************* //

16
tutorials/lagrangian/reactingParcelFoam/parcelInBox/constant/reactions
View File

@ -5,24 +5,8 @@
\\ / A nd | Version: dev
\\/ M anipulation |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object reactions;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
species
(
air
H2O
);
reactions
{}
// ************************************************************************* //

15
tutorials/lagrangian/reactingParcelFoam/parcelInBox/constant/thermo.incompressiblePoly
View File

@ -5,15 +5,12 @@
\\ / A nd | Version: dev
\\/ M anipulation |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object thermo.incompressiblePoly;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
species
(
air
H2O
);
N2
{

5
tutorials/lagrangian/reactingParcelFoam/parcelInBox/constant/thermophysicalProperties
View File

@ -18,7 +18,7 @@ FoamFile
thermoType
{
type heRhoThermo;
mixture reactingMixture;
mixture multiComponentMixture;
transport polynomial;
thermo hPolynomial;
energy sensibleInternalEnergy;
@ -26,9 +26,6 @@ thermoType
specie specie;
}
#include "reactions"
#include "thermo.incompressiblePoly"
inertSpecie air;

1
tutorials/lagrangian/reactingParcelFoam/rivuletPanel/constant/chemistryProperties
View File

@ -24,5 +24,6 @@ chemistry off;
initialChemicalTimeStep 1e-07;
#include "reactions"
// ************************************************************************* //

5
tutorials/lagrangian/reactingParcelFoam/rivuletPanel/constant/thermophysicalProperties
View File

@ -18,7 +18,7 @@ FoamFile
thermoType
{
type heRhoThermo;
mixture reactingMixture;
mixture multiComponentMixture;
transport sutherland;
thermo janaf;
energy sensibleEnthalpy;
@ -26,9 +26,6 @@ thermoType
specie specie;
}
#include "reactions"
#include "speciesThermo"
inertSpecie N2;

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