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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
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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;

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

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

5
tutorials/lagrangian/reactingParcelFoam/splashPanel/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/verticalChannel/constant/chemistryProperties
View File

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

16
tutorials/lagrangian/reactingParcelFoam/verticalChannel/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/verticalChannel/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/verticalChannel/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/verticalChannelLTS/constant/chemistryProperties
View File

@ -24,5 +24,6 @@ chemistry off;
initialChemicalTimeStep 1e-07; // NOT USED
#include "reactions"
// ************************************************************************* //

16
tutorials/lagrangian/reactingParcelFoam/verticalChannelLTS/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/verticalChannelLTS/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/verticalChannelLTS/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/simpleReactingParcelFoam/verticalChannel/constant/chemistryProperties
View File

@ -24,5 +24,6 @@ chemistry off;
initialChemicalTimeStep 1e-07; // NOT USED
#include "reactions"
// ************************************************************************* //

16
tutorials/lagrangian/simpleReactingParcelFoam/verticalChannel/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/simpleReactingParcelFoam/verticalChannel/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/simpleReactingParcelFoam/verticalChannel/constant/thermophysicalProperties
View File

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

1
tutorials/lagrangian/sprayFoam/aachenBomb/constant/chemistryProperties
View File

@ -30,5 +30,6 @@ odeCoeffs
eps 0.05;
}
#include "reactions"
// ************************************************************************* //

4
tutorials/lagrangian/sprayFoam/aachenBomb/constant/thermophysicalProperties
View File

@ -18,7 +18,7 @@ FoamFile
thermoType
{
type hePsiThermo;
mixture reactingMixture;
mixture multiComponentMixture;
transport sutherland;
thermo janaf;
energy sensibleEnthalpy;
@ -40,6 +40,4 @@ liquids
solids
{}
#include "reactions"
// ************************************************************************* //

2
tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumnEvaporatingReacting/constant/chemistryProperties.gas
View File

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

9
tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumnEvaporatingReacting/constant/reactions.gas
View File

@ -1,12 +1,3 @@
species
(
CO
CO2
H2
H2O
AIR
);
reactions
{
waterGasShift

9
tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumnEvaporatingReacting/constant/thermo.gas
View File

@ -1,3 +1,12 @@
species
(
CO
CO2
H2
H2O
AIR
);
CO
{
specie

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