diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/chemistryProperties.new b/etc/caseDicts/solvers/chemistry/TDAC/chemistryProperties.cfg similarity index 76% rename from tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/chemistryProperties.new rename to etc/caseDicts/solvers/chemistry/TDAC/chemistryProperties.cfg index aae2792216..a781416695 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/chemistryProperties.new +++ b/etc/caseDicts/solvers/chemistry/TDAC/chemistryProperties.cfg @@ -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; } - // ************************************************************************* // diff --git a/etc/caseDicts/solvers/chemistry/TDAC/chemistryPropertiesFlame.cfg b/etc/caseDicts/solvers/chemistry/TDAC/chemistryPropertiesFlame.cfg new file mode 100644 index 0000000000..fffab2c068 --- /dev/null +++ b/etc/caseDicts/solvers/chemistry/TDAC/chemistryPropertiesFlame.cfg @@ -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; +} + + +// ************************************************************************* // diff --git a/tutorials/combustion/chemFoam/ic8h18_TDAC/constant/chemistryProperties b/tutorials/combustion/chemFoam/ic8h18_TDAC/constant/chemistryProperties index 12e54285f2..2f554fa9eb 100644 --- a/tutorials/combustion/chemFoam/ic8h18_TDAC/constant/chemistryProperties +++ b/tutorials/combustion/chemFoam/ic8h18_TDAC/constant/chemistryProperties @@ -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 diff --git a/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/Allrun b/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/Allrun index d8137ce0ac..7e70664f4e 100755 --- a/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/Allrun +++ b/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/Allrun @@ -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 + #------------------------------------------------------------------------------ diff --git a/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/chemistryProperties b/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/chemistryProperties deleted file mode 100644 index a507fa2ecc..0000000000 --- a/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/chemistryProperties +++ /dev/null @@ -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; -} - - -// ************************************************************************* // diff --git a/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/chemistryProperties.orig b/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/chemistryProperties.orig new file mode 100644 index 0000000000..bd97da2e12 --- /dev/null +++ b/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/chemistryProperties.orig @@ -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; +} + +// ************************************************************************* // diff --git a/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/reactionsGRI b/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/reactionsGRI index 9e89ab5d95..57825a2f0a 100644 --- a/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/reactionsGRI +++ b/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/reactionsGRI @@ -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; + diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/chemistryProperties b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/chemistryProperties index 5ec6e198e2..4547753567 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/chemistryProperties +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/chemistryProperties @@ -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; } - // ************************************************************************* // diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/chemistryProperties b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/chemistryProperties index 5ec6e198e2..4547753567 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/chemistryProperties +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/chemistryProperties @@ -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; } - // ************************************************************************* //