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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
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Henry Weller
Henry Weller committed Nov 8, 2018
1 parent 9ff8bf3 commit 5c86bafb8216a1df4582037e6183ffd41c47dcdb
@@ -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;
@@ -57,30 +35,35 @@ 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;

// 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;
}



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


// ************************************************************************* //
@@ -15,6 +15,8 @@ FoamFile
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

#includeEtc "caseDicts/solvers/chemistry/TDAC/chemistryProperties.cfg"

chemistryType
{
solver ode;
@@ -34,34 +36,15 @@ 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
{
CO;
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

#------------------------------------------------------------------------------

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