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etc/caseDicts/solvers/chemistry/TDAC: New configuration files for TDAC

Browse Source 
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
2018-11-08 23:06:52 +00:00
parent 9ff8bf3ae4
commit 5c86bafb82
9 changed files with 232 additions and 361 deletions
Download Patch File Download Diff File Expand all files Collapse all files

60
tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/chemistryProperties.new → etc/caseDicts/solvers/chemistry/TDAC/chemistryProperties.cfg
View File

@ -5,39 +5,17 @@
\\ / 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
// 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 0.0001;
tolerance 1e-4;
// Available methods: DRG, DAC, DRGEP, PFA, EFA
method DAC;
@ -57,20 +35,24 @@ reduction
// When automaticSIS, the method needs to know the fuel
fuelSpecies
{
CH4 1.0;
CH4 1;
}
}
tabulation
{
active on;
// 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 1e-4;
tolerance 3e-3;
// ISAT is the only method currently available
method ISAT;
@ -78,9 +60,10 @@ tabulation
// Scale factors used in the definition of the ellipsoid of accuracy
scaleFactor
{
otherSpecies 1.0;
Temperature 5E4;
Pressure 1E15;
otherSpecies 1;
Temperature 10000;
Pressure 1e15;
deltaT 1;
}
// Maximum number of leafs stored in the binary tree
@ -89,15 +72,15 @@ tabulation
// 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;
chPMaxLifeTime 100;
// Maximum number of growth allowed on a chemPoint to avoid distorted
// chemPoints
maxGrowth 1;
maxGrowth 10;
// Number of time steps between analysis of the tree to remove old
// chemPoints or try to balance it
checkEntireTreeInterval 1;
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
@ -118,9 +101,8 @@ tabulation
// When mechanism reduction is used, new dimensions might be added
// maxNumNewDim set the maximum number of new dimensions added during a
// growth
maxNumNewDim 1;
maxNumNewDim 10;
}
// ************************************************************************* //

108
etc/caseDicts/solvers/chemistry/TDAC/chemistryPropertiesFlame.cfg Normal file
View File

@ -0,0 +1,108 @@
/*--------------------------------*- C++ -*----------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Version: dev
\\/ M anipulation |
\*---------------------------------------------------------------------------*/
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 5000;
// 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 1000;
// Maximum number of growth allowed on a chemPoint to avoid distorted
// chemPoints
maxGrowth 100;
// Number of time steps between analysis of the tree to remove old
// chemPoints or try to balance it
checkEntireTreeInterval 500;
// 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;
}
// ************************************************************************* //

21
tutorials/combustion/chemFoam/ic8h18_TDAC/constant/chemistryProperties
View File

@ -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

4
tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/Allrun
View File

@ -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
#------------------------------------------------------------------------------

89
tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/chemistryProperties
View File

@ -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;
}
// ************************************************************************* //

56
tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/chemistryProperties.orig Normal file
View File

@ -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
tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/reactionsGRI
View File

@ -3611,3 +3611,4 @@ reactions
Tlow 250;
Thigh 5000;

93
tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/chemistryProperties
View File

@ -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;
}
// ************************************************************************* //

93
tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/chemistryProperties
View File

@ -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;
}
// ************************************************************************* //