etc/caseDicts/solvers/chemistry/TDAC: New configuration files for TDAC
to simplify reacting case setup.
Tutorials
tutorials/combustion/chemFoam/ic8h18_TDAC
tutorials/combustion/reactingFoam/RAS/SandiaD_LTS
tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC
tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC
updated to benefit from the new configuration files.
Patch contributed by Francesco Contino
This commit is contained in:
Henry Weller
@ -15,6 +15,8 @@ FoamFile
|
||||
}
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
#includeEtc "caseDicts/solvers/chemistry/TDAC/chemistryProperties.cfg"
|
||||
|
||||
chemistryType
|
||||
{
|
||||
solver ode;
|
||||
@ -34,17 +36,8 @@ odeCoeffs
|
||||
|
||||
reduction
|
||||
{
|
||||
active on;
|
||||
|
||||
// Switch logging of the reduction statistics and performance
|
||||
log off;
|
||||
|
||||
// Tolerance depends on the reduction method, see details for each method
|
||||
tolerance 1e-4;
|
||||
|
||||
// Available methods: DRG, DAC, DRGEP, PFA, EFA
|
||||
method DAC;
|
||||
|
||||
// Search initiating set (SIS) of species, needed for most methods
|
||||
initialSet
|
||||
{
|
||||
@ -52,16 +45,6 @@ reduction
|
||||
IC8H18;
|
||||
HO2;
|
||||
}
|
||||
|
||||
// For DAC, option to automatically change the SIS switch from HO2 to H2O
|
||||
// and CO to CO2, + disable fuel
|
||||
automaticSIS off;
|
||||
|
||||
// When automaticSIS, the method needs to know the fuel
|
||||
fuelSpecies
|
||||
{
|
||||
IC8H18 1;
|
||||
}
|
||||
}
|
||||
|
||||
// Tabulation is not effective for single-cell ignition calculations
|
||||
|
||||
@ -18,6 +18,7 @@ runApplication setFields
|
||||
foamDictionary -entry "startTime" -set "0" system/controlDict
|
||||
foamDictionary -entry "writeInterval" -set "1500" system/controlDict
|
||||
foamDictionary -entry "endTime" -set "1500" system/controlDict
|
||||
rm -rf constant/chemistryProperties > /dev/null 2>&1
|
||||
foamDictionary -entry "chemistry" -set "off" constant/chemistryProperties
|
||||
|
||||
runApplication $application
|
||||
@ -26,8 +27,11 @@ runApplication $application
|
||||
foamDictionary -entry "startTime" -set "1500" system/controlDict
|
||||
foamDictionary -entry "writeInterval" -set "100" system/controlDict
|
||||
foamDictionary -entry "endTime" -set "5000" system/controlDict
|
||||
rm -rf constant/chemistryProperties > /dev/null 2>&1
|
||||
foamDictionary -entry "chemistry" -set "on" constant/chemistryProperties
|
||||
|
||||
runApplication -o $application
|
||||
|
||||
rm -rf constant/chemistryProperties > /dev/null 2>&1
|
||||
|
||||
#------------------------------------------------------------------------------
|
||||
|
||||
@ -1,89 +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;
|
||||
format ascii;
|
||||
class dictionary;
|
||||
location "constant";
|
||||
object chemistryProperties;
|
||||
}
|
||||
|
||||
chemistryType
|
||||
{
|
||||
solver ode;
|
||||
method TDAC;
|
||||
}
|
||||
|
||||
chemistry on;
|
||||
|
||||
importantSpecies
|
||||
{
|
||||
CO2 ;
|
||||
H2O ;
|
||||
CH4 ;
|
||||
O2 ;
|
||||
}
|
||||
|
||||
initialChemicalTimeStep 1e-07;
|
||||
|
||||
odeCoeffs
|
||||
{
|
||||
solver seulex;
|
||||
absTol 1e-08;
|
||||
relTol 0.1;
|
||||
}
|
||||
|
||||
reduction
|
||||
{
|
||||
active on;
|
||||
log on;
|
||||
tolerance 0.0001;
|
||||
method DAC;
|
||||
initialSet
|
||||
{
|
||||
CO ;
|
||||
CH4 ;
|
||||
HO2 ;
|
||||
}
|
||||
automaticSIS off;
|
||||
fuelSpecies
|
||||
{
|
||||
CH4 1;
|
||||
}
|
||||
}
|
||||
|
||||
tabulation
|
||||
{
|
||||
active on;
|
||||
log on;
|
||||
printProportion off;
|
||||
printNumRetrieve off;
|
||||
tolerance 0.003;
|
||||
method ISAT;
|
||||
scaleFactor
|
||||
{
|
||||
otherSpecies 1;
|
||||
Temperature 10000;
|
||||
Pressure 1e+15;
|
||||
deltaT 1;
|
||||
}
|
||||
maxNLeafs 5000;
|
||||
chPMaxLifeTime 1000;
|
||||
maxGrowth 100;
|
||||
checkEntireTreeInterval 500;
|
||||
maxDepthFactor 2;
|
||||
minBalanceThreshold 30;
|
||||
MRURetrieve false;
|
||||
maxMRUSize 0;
|
||||
growPoints true;
|
||||
maxNumNewDim 10;
|
||||
}
|
||||
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -0,0 +1,56 @@
|
||||
/*--------------------------------*- 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;
|
||||
}
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
#includeEtc "caseDicts/solvers/chemistry/TDAC/chemistryPropertiesFlame.cfg"
|
||||
|
||||
chemistryType
|
||||
{
|
||||
solver ode;
|
||||
method TDAC;
|
||||
}
|
||||
|
||||
chemistry on;
|
||||
|
||||
initialChemicalTimeStep 1e-7;
|
||||
//maxChemicalTimeStep 1e-3;
|
||||
|
||||
odeCoeffs
|
||||
{
|
||||
solver seulex;
|
||||
absTol 1e-8;
|
||||
relTol 1e-1;
|
||||
}
|
||||
|
||||
importantSpecies
|
||||
{
|
||||
CO2;
|
||||
H2O;
|
||||
CH4;
|
||||
O2;
|
||||
}
|
||||
|
||||
reduction
|
||||
{
|
||||
tolerance 1e-4;
|
||||
}
|
||||
|
||||
tabulation
|
||||
{
|
||||
tolerance 3e-3;
|
||||
}
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -1,4 +1,4 @@
|
||||
elements
|
||||
elements
|
||||
5
|
||||
(
|
||||
O
|
||||
@ -9,7 +9,7 @@ Ar
|
||||
)
|
||||
;
|
||||
|
||||
species
|
||||
species
|
||||
36
|
||||
(
|
||||
H2
|
||||
@ -60,7 +60,7 @@ reactions
|
||||
A 1.2e+11;
|
||||
beta -1;
|
||||
Ta 0;
|
||||
coeffs
|
||||
coeffs
|
||||
36
|
||||
(
|
||||
(H2 2.4)
|
||||
@ -109,7 +109,7 @@ reactions
|
||||
A 5e+11;
|
||||
beta -1;
|
||||
Ta 0;
|
||||
coeffs
|
||||
coeffs
|
||||
36
|
||||
(
|
||||
(H2 2)
|
||||
@ -244,7 +244,7 @@ reactions
|
||||
}
|
||||
thirdBodyEfficiencies
|
||||
{
|
||||
coeffs
|
||||
coeffs
|
||||
36
|
||||
(
|
||||
(H2 2)
|
||||
@ -454,7 +454,7 @@ reactions
|
||||
A 2.8e+12;
|
||||
beta -0.86;
|
||||
Ta 0;
|
||||
coeffs
|
||||
coeffs
|
||||
36
|
||||
(
|
||||
(H2 1)
|
||||
@ -543,7 +543,7 @@ reactions
|
||||
A 1e+12;
|
||||
beta -1;
|
||||
Ta 0;
|
||||
coeffs
|
||||
coeffs
|
||||
36
|
||||
(
|
||||
(H2 0)
|
||||
@ -616,7 +616,7 @@ reactions
|
||||
A 2.2e+16;
|
||||
beta -2;
|
||||
Ta 0;
|
||||
coeffs
|
||||
coeffs
|
||||
36
|
||||
(
|
||||
(H2 0.73)
|
||||
@ -731,7 +731,7 @@ reactions
|
||||
}
|
||||
thirdBodyEfficiencies
|
||||
{
|
||||
coeffs
|
||||
coeffs
|
||||
36
|
||||
(
|
||||
(H2 2)
|
||||
@ -807,7 +807,7 @@ reactions
|
||||
}
|
||||
thirdBodyEfficiencies
|
||||
{
|
||||
coeffs
|
||||
coeffs
|
||||
36
|
||||
(
|
||||
(H2 2)
|
||||
@ -883,7 +883,7 @@ reactions
|
||||
}
|
||||
thirdBodyEfficiencies
|
||||
{
|
||||
coeffs
|
||||
coeffs
|
||||
36
|
||||
(
|
||||
(H2 2)
|
||||
@ -959,7 +959,7 @@ reactions
|
||||
}
|
||||
thirdBodyEfficiencies
|
||||
{
|
||||
coeffs
|
||||
coeffs
|
||||
36
|
||||
(
|
||||
(H2 2)
|
||||
@ -1027,7 +1027,7 @@ reactions
|
||||
}
|
||||
thirdBodyEfficiencies
|
||||
{
|
||||
coeffs
|
||||
coeffs
|
||||
36
|
||||
(
|
||||
(H2 2)
|
||||
@ -1103,7 +1103,7 @@ reactions
|
||||
}
|
||||
thirdBodyEfficiencies
|
||||
{
|
||||
coeffs
|
||||
coeffs
|
||||
36
|
||||
(
|
||||
(H2 2)
|
||||
@ -1195,7 +1195,7 @@ reactions
|
||||
}
|
||||
thirdBodyEfficiencies
|
||||
{
|
||||
coeffs
|
||||
coeffs
|
||||
36
|
||||
(
|
||||
(H2 2)
|
||||
@ -1311,7 +1311,7 @@ reactions
|
||||
}
|
||||
thirdBodyEfficiencies
|
||||
{
|
||||
coeffs
|
||||
coeffs
|
||||
36
|
||||
(
|
||||
(H2 2)
|
||||
@ -1379,7 +1379,7 @@ reactions
|
||||
}
|
||||
thirdBodyEfficiencies
|
||||
{
|
||||
coeffs
|
||||
coeffs
|
||||
36
|
||||
(
|
||||
(H2 2)
|
||||
@ -1447,7 +1447,7 @@ reactions
|
||||
}
|
||||
thirdBodyEfficiencies
|
||||
{
|
||||
coeffs
|
||||
coeffs
|
||||
36
|
||||
(
|
||||
(H2 2)
|
||||
@ -1523,7 +1523,7 @@ reactions
|
||||
}
|
||||
thirdBodyEfficiencies
|
||||
{
|
||||
coeffs
|
||||
coeffs
|
||||
36
|
||||
(
|
||||
(H2 2)
|
||||
@ -1599,7 +1599,7 @@ reactions
|
||||
}
|
||||
thirdBodyEfficiencies
|
||||
{
|
||||
coeffs
|
||||
coeffs
|
||||
36
|
||||
(
|
||||
(H2 2)
|
||||
@ -1715,7 +1715,7 @@ reactions
|
||||
}
|
||||
thirdBodyEfficiencies
|
||||
{
|
||||
coeffs
|
||||
coeffs
|
||||
36
|
||||
(
|
||||
(H2 2)
|
||||
@ -1791,7 +1791,7 @@ reactions
|
||||
}
|
||||
thirdBodyEfficiencies
|
||||
{
|
||||
coeffs
|
||||
coeffs
|
||||
36
|
||||
(
|
||||
(H2 2)
|
||||
@ -1931,7 +1931,7 @@ reactions
|
||||
}
|
||||
thirdBodyEfficiencies
|
||||
{
|
||||
coeffs
|
||||
coeffs
|
||||
36
|
||||
(
|
||||
(H2 2)
|
||||
@ -2279,7 +2279,7 @@ reactions
|
||||
}
|
||||
thirdBodyEfficiencies
|
||||
{
|
||||
coeffs
|
||||
coeffs
|
||||
36
|
||||
(
|
||||
(H2 2)
|
||||
@ -2411,7 +2411,7 @@ reactions
|
||||
}
|
||||
thirdBodyEfficiencies
|
||||
{
|
||||
coeffs
|
||||
coeffs
|
||||
36
|
||||
(
|
||||
(H2 2)
|
||||
@ -2527,7 +2527,7 @@ reactions
|
||||
}
|
||||
thirdBodyEfficiencies
|
||||
{
|
||||
coeffs
|
||||
coeffs
|
||||
36
|
||||
(
|
||||
(H2 2)
|
||||
@ -2675,7 +2675,7 @@ reactions
|
||||
}
|
||||
thirdBodyEfficiencies
|
||||
{
|
||||
coeffs
|
||||
coeffs
|
||||
36
|
||||
(
|
||||
(H2 2)
|
||||
@ -2789,7 +2789,7 @@ reactions
|
||||
A 1.87e+14;
|
||||
beta -1;
|
||||
Ta 8554.25106;
|
||||
coeffs
|
||||
coeffs
|
||||
36
|
||||
(
|
||||
(H2 2)
|
||||
@ -2904,7 +2904,7 @@ reactions
|
||||
}
|
||||
thirdBodyEfficiencies
|
||||
{
|
||||
coeffs
|
||||
coeffs
|
||||
36
|
||||
(
|
||||
(H2 2)
|
||||
@ -3036,7 +3036,7 @@ reactions
|
||||
}
|
||||
thirdBodyEfficiencies
|
||||
{
|
||||
coeffs
|
||||
coeffs
|
||||
36
|
||||
(
|
||||
(H2 2)
|
||||
@ -3216,7 +3216,7 @@ reactions
|
||||
}
|
||||
thirdBodyEfficiencies
|
||||
{
|
||||
coeffs
|
||||
coeffs
|
||||
36
|
||||
(
|
||||
(H2 2)
|
||||
@ -3340,7 +3340,7 @@ reactions
|
||||
}
|
||||
thirdBodyEfficiencies
|
||||
{
|
||||
coeffs
|
||||
coeffs
|
||||
36
|
||||
(
|
||||
(H2 2)
|
||||
@ -3448,7 +3448,7 @@ reactions
|
||||
}
|
||||
thirdBodyEfficiencies
|
||||
{
|
||||
coeffs
|
||||
coeffs
|
||||
36
|
||||
(
|
||||
(H2 2)
|
||||
@ -3524,7 +3524,7 @@ reactions
|
||||
}
|
||||
thirdBodyEfficiencies
|
||||
{
|
||||
coeffs
|
||||
coeffs
|
||||
36
|
||||
(
|
||||
(H2 2)
|
||||
@ -3611,3 +3611,4 @@ reactions
|
||||
|
||||
Tlow 250;
|
||||
Thigh 5000;
|
||||
|
||||
|
||||
@ -15,6 +15,8 @@ FoamFile
|
||||
}
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
#includeEtc "caseDicts/solvers/chemistry/TDAC/chemistryProperties.cfg"
|
||||
|
||||
chemistryType
|
||||
{
|
||||
solver ode;
|
||||
@ -24,7 +26,7 @@ chemistryType
|
||||
chemistry on;
|
||||
|
||||
initialChemicalTimeStep 1e-7;
|
||||
//maxChemicalTimeStep 1E-3;
|
||||
//maxChemicalTimeStep 1e-3;
|
||||
|
||||
odeCoeffs
|
||||
{
|
||||
@ -35,101 +37,12 @@ odeCoeffs
|
||||
|
||||
reduction
|
||||
{
|
||||
// Activate reduction
|
||||
active on;
|
||||
|
||||
// Switch logging of the reduction statistics and performance
|
||||
log on;
|
||||
|
||||
// Tolerance depends on the reduction method, see details for each method
|
||||
tolerance 1e-4;
|
||||
|
||||
// Available methods: DRG, DAC, DRGEP, PFA, EFA
|
||||
method DAC;
|
||||
|
||||
// Search initiating set (SIS) of species, needed for most methods
|
||||
initialSet
|
||||
{
|
||||
CO;
|
||||
CH4;
|
||||
HO2;
|
||||
}
|
||||
|
||||
// For DAC, option to automatically change the SIS switch from HO2 to H2O
|
||||
// and CO to CO2, + disable fuel
|
||||
automaticSIS off;
|
||||
|
||||
// When automaticSIS, the method needs to know the fuel
|
||||
fuelSpecies
|
||||
{
|
||||
CH4 1;
|
||||
}
|
||||
}
|
||||
|
||||
tabulation
|
||||
{
|
||||
// Activate tabulation
|
||||
active on;
|
||||
|
||||
// Switch logging of the tabulation statistics and performance
|
||||
log on;
|
||||
|
||||
printProportion off;
|
||||
|
||||
printNumRetrieve off;
|
||||
|
||||
// Tolerance used for retrieve and grow
|
||||
tolerance 3e-3;
|
||||
|
||||
// ISAT is the only method currently available
|
||||
method ISAT;
|
||||
|
||||
// Scale factors used in the definition of the ellipsoid of accuracy
|
||||
scaleFactor
|
||||
{
|
||||
otherSpecies 1;
|
||||
Temperature 10000;
|
||||
Pressure 1e15;
|
||||
deltaT 1;
|
||||
}
|
||||
|
||||
// Maximum number of leafs stored in the binary tree
|
||||
maxNLeafs 2000;
|
||||
|
||||
// Maximum life time of the leafs (in time steps) used in unsteady
|
||||
// simulations to force renewal of the stored chemPoints and keep the tree
|
||||
// small
|
||||
chPMaxLifeTime 100;
|
||||
|
||||
// Maximum number of growth allowed on a chemPoint to avoid distorted
|
||||
// chemPoints
|
||||
maxGrowth 10;
|
||||
|
||||
// Number of time steps between analysis of the tree to remove old
|
||||
// chemPoints or try to balance it
|
||||
checkEntireTreeInterval 5;
|
||||
|
||||
// Parameters used to decide whether to balance or not if the tree's depth
|
||||
// is larger than maxDepthFactor*log2(nLeafs) then balance the tree
|
||||
maxDepthFactor 2;
|
||||
|
||||
// Try to balance the tree only if the size of the tree is greater
|
||||
minBalanceThreshold 30;
|
||||
|
||||
// Activate the use of a MRU (most recently used) list
|
||||
MRURetrieve false;
|
||||
|
||||
// Maximum size of the MRU list
|
||||
maxMRUSize 0;
|
||||
|
||||
// Allow to grow points
|
||||
growPoints true;
|
||||
|
||||
// When mechanism reduction is used, new dimensions might be added
|
||||
// maxNumNewDim set the maximum number of new dimensions added during a
|
||||
// growth
|
||||
maxNumNewDim 10;
|
||||
}
|
||||
|
||||
|
||||
// ************************************************************************* //
|
||||
|
||||
@ -15,6 +15,8 @@ FoamFile
|
||||
}
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
#includeEtc "caseDicts/solvers/chemistry/TDAC/chemistryProperties.cfg"
|
||||
|
||||
chemistryType
|
||||
{
|
||||
solver ode;
|
||||
@ -24,7 +26,7 @@ chemistryType
|
||||
chemistry on;
|
||||
|
||||
initialChemicalTimeStep 1e-7;
|
||||
//maxChemicalTimeStep 1E-3;
|
||||
//maxChemicalTimeStep 1e-3;
|
||||
|
||||
odeCoeffs
|
||||
{
|
||||
@ -35,101 +37,12 @@ odeCoeffs
|
||||
|
||||
reduction
|
||||
{
|
||||
// Activate reduction
|
||||
active on;
|
||||
|
||||
// Switch logging of the reduction statistics and performance
|
||||
log on;
|
||||
|
||||
// Tolerance depends on the reduction method, see details for each method
|
||||
tolerance 1e-4;
|
||||
|
||||
// Available methods: DRG, DAC, DRGEP, PFA, EFA
|
||||
method DAC;
|
||||
|
||||
// Search initiating set (SIS) of species, needed for most methods
|
||||
initialSet
|
||||
{
|
||||
CO;
|
||||
CH4;
|
||||
HO2;
|
||||
}
|
||||
|
||||
// For DAC, option to automatically change the SIS switch from HO2 to H2O
|
||||
// and CO to CO2, + disable fuel
|
||||
automaticSIS off;
|
||||
|
||||
// When automaticSIS, the method needs to know the fuel
|
||||
fuelSpecies
|
||||
{
|
||||
CH4 1;
|
||||
}
|
||||
}
|
||||
|
||||
tabulation
|
||||
{
|
||||
// Activate tabulation
|
||||
active on;
|
||||
|
||||
// Switch logging of the tabulation statistics and performance
|
||||
log on;
|
||||
|
||||
printProportion off;
|
||||
|
||||
printNumRetrieve off;
|
||||
|
||||
// Tolerance used for retrieve and grow
|
||||
tolerance 3e-3;
|
||||
|
||||
// ISAT is the only method currently available
|
||||
method ISAT;
|
||||
|
||||
// Scale factors used in the definition of the ellipsoid of accuracy
|
||||
scaleFactor
|
||||
{
|
||||
otherSpecies 1;
|
||||
Temperature 10000;
|
||||
Pressure 1e15;
|
||||
deltaT 1;
|
||||
}
|
||||
|
||||
// Maximum number of leafs stored in the binary tree
|
||||
maxNLeafs 2000;
|
||||
|
||||
// Maximum life time of the leafs (in time steps) used in unsteady
|
||||
// simulations to force renewal of the stored chemPoints and keep the tree
|
||||
// small
|
||||
chPMaxLifeTime 100;
|
||||
|
||||
// Maximum number of growth allowed on a chemPoint to avoid distorted
|
||||
// chemPoints
|
||||
maxGrowth 10;
|
||||
|
||||
// Number of time steps between analysis of the tree to remove old
|
||||
// chemPoints or try to balance it
|
||||
checkEntireTreeInterval 5;
|
||||
|
||||
// Parameters used to decide whether to balance or not if the tree's depth
|
||||
// is larger than maxDepthFactor*log2(nLeafs) then balance the tree
|
||||
maxDepthFactor 2;
|
||||
|
||||
// Try to balance the tree only if the size of the tree is greater
|
||||
minBalanceThreshold 30;
|
||||
|
||||
// Activate the use of a MRU (most recently used) list
|
||||
MRURetrieve false;
|
||||
|
||||
// Maximum size of the MRU list
|
||||
maxMRUSize 0;
|
||||
|
||||
// Allow to grow points
|
||||
growPoints true;
|
||||
|
||||
// When mechanism reduction is used, new dimensions might be added
|
||||
// maxNumNewDim set the maximum number of new dimensions added during a
|
||||
// growth
|
||||
maxNumNewDim 10;
|
||||
}
|
||||
|
||||
|
||||
// ************************************************************************* //
|
||||
|
||||
@ -1,126 +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 ode;
|
||||
method TDAC;
|
||||
}
|
||||
|
||||
chemistry on;
|
||||
|
||||
initialChemicalTimeStep 1e-7;
|
||||
|
||||
odeCoeffs
|
||||
{
|
||||
solver seulex;
|
||||
absTol 1e-8;
|
||||
relTol 1e-1;
|
||||
}
|
||||
|
||||
reduction
|
||||
{
|
||||
active on; // Off by default
|
||||
|
||||
// Tolerance depends on the reduction method, see details for each method
|
||||
tolerance 0.0001;
|
||||
|
||||
// Available methods: DRG, DAC, DRGEP, PFA, EFA
|
||||
method DAC;
|
||||
|
||||
// Search initiating set (SIS) of species, needed for most methods
|
||||
initialSet
|
||||
{
|
||||
CO;
|
||||
CH4;
|
||||
HO2;
|
||||
}
|
||||
|
||||
// For DAC, option to automatically change the SIS switch from HO2 to H2O
|
||||
// and CO to CO2, + disable fuel
|
||||
automaticSIS off;
|
||||
|
||||
// When automaticSIS, the method needs to know the fuel
|
||||
fuelSpecies
|
||||
{
|
||||
CH4 1.0;
|
||||
}
|
||||
}
|
||||
|
||||
tabulation
|
||||
{
|
||||
active on;
|
||||
|
||||
printProportion off;
|
||||
|
||||
printNumRetrieve off;
|
||||
|
||||
// Tolerance used for retrieve and grow
|
||||
tolerance 1e-4;
|
||||
|
||||
// ISAT is the only method currently available
|
||||
method ISAT;
|
||||
|
||||
// Scale factors used in the definition of the ellipsoid of accuracy
|
||||
scaleFactor
|
||||
{
|
||||
otherSpecies 1.0;
|
||||
Temperature 5E4;
|
||||
Pressure 1E15;
|
||||
}
|
||||
|
||||
// Maximum number of leafs stored in the binary tree
|
||||
maxNLeafs 2000;
|
||||
|
||||
// Maximum life time of the leafs (in time steps) used in unsteady
|
||||
// simulations to force renewal of the stored chemPoints and keep the tree
|
||||
// small
|
||||
chPMaxLifeTime 1;
|
||||
|
||||
// Maximum number of growth allowed on a chemPoint to avoid distorted
|
||||
// chemPoints
|
||||
maxGrowth 1;
|
||||
|
||||
// Number of time steps between analysis of the tree to remove old
|
||||
// chemPoints or try to balance it
|
||||
checkEntireTreeInterval 1;
|
||||
|
||||
// Parameters used to decide whether to balance or not if the tree's depth
|
||||
// is larger than maxDepthFactor*log2(nLeafs) then balance the tree
|
||||
maxDepthFactor 2;
|
||||
|
||||
// Try to balance the tree only if the size of the tree is greater
|
||||
minBalanceThreshold 30;
|
||||
|
||||
// Activate the use of a MRU (most recently used) list
|
||||
MRURetrieve false;
|
||||
|
||||
// Maximum size of the MRU list
|
||||
maxMRUSize 0;
|
||||
|
||||
// Allow to grow points
|
||||
growPoints true;
|
||||
|
||||
// When mechanism reduction is used, new dimensions might be added
|
||||
// maxNumNewDim set the maximum number of new dimensions added during a
|
||||
// growth
|
||||
maxNumNewDim 1;
|
||||
}
|
||||
|
||||
|
||||
|
||||
// ************************************************************************* //
|
||||
Reference in New Issue
Block a user