From 05208f64dc5d18fbf331edfc2fa03acf645ce072 Mon Sep 17 00:00:00 2001 From: Henry Weller Date: Sat, 3 Aug 2019 15:11:00 +0100 Subject: [PATCH] StandardChemistryModel: Separate the reaction system from the mixture thermodynamics 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. --- .../solvers/combustion/chemFoam/chemFoam.C | 4 +- .../combustion/chemFoam/thermoTypeFunctions.H | 14 +- .../InterfaceCompositionModels.C | 37 +---- etc/controlDict | 1 - .../singleStepCombustion.C | 12 +- .../singleStepCombustion.H | 9 +- src/radiationModels/Make/files | 2 +- .../mixtureFraction/mixtureFraction.C | 12 +- .../mixtureFraction/mixtureFraction.H | 18 +-- .../StandardChemistryModel.C | 18 +-- .../StandardChemistryModel.H | 9 +- .../TDACChemistryModel/TDACChemistryModel.C | 2 +- .../reactingMixture/reactingMixture.C | 49 ------ .../reactingMixture/reactingMixture.H | 111 ------------- .../psiReactionThermo/psiReactionThermos.C | 43 ----- .../rhoReactionThermo/rhoReactionThermos.C | 151 ------------------ .../solidChemistryModel/solidChemistryModel.C | 18 +-- .../solidChemistryModel/solidChemistryModel.H | 9 +- .../solidReactionThermos.C | 20 +-- .../chemFoam/gri/constant/chemistryProperties | 1 + .../gri/constant/thermophysicalProperties | 3 +- .../chemFoam/h2/constant/chemistryProperties | 1 + .../h2/constant/thermophysicalProperties | 3 +- .../ic8h18/constant/chemistryProperties | 1 + .../ic8h18/constant/thermophysicalProperties | 3 +- .../ic8h18_TDAC/constant/chemistryProperties | 1 + .../constant/thermophysicalProperties | 3 +- .../nc7h16/constant/chemistryProperties | 1 + .../nc7h16/constant/thermophysicalProperties | 3 +- .../constant/thermophysicalProperties | 2 +- .../pyrolysisRegion/chemistryProperties | 2 + .../constant/pyrolysisRegion/reactions | 6 - .../constant/pyrolysisRegion/thermo.solid | 6 + .../pyrolysisRegion/thermophysicalProperties | 3 +- .../constant/reactions | 10 -- .../constant/thermo.compressibleGas | 9 ++ .../constant/thermophysicalProperties | 7 +- .../constant/panelRegion/chemistryProperties | 1 + .../constant/panelRegion/reactions | 6 - .../constant/panelRegion/thermo.solid | 6 + .../panelRegion/thermophysicalProperties | 3 +- .../constant/thermophysicalProperties | 7 +- .../constant/radiationProperties | 2 +- .../constant/thermophysicalProperties | 2 +- .../constant/chemistryProperties | 28 ---- .../LES/smallPoolFire3D/constant/reactions | 10 -- .../constant/thermo.compressibleGas | 9 ++ .../constant/thermophysicalProperties | 7 +- .../DLR_A_LTS/constant/chemistryProperties | 1 + .../constant/thermophysicalProperties | 3 +- .../constant/chemistryProperties.orig | 2 + .../RAS/SandiaD_LTS/constant/reactionsGRI | 118 ++++---------- .../constant/thermo.compressibleGasGRI | 2 + .../constant/thermophysicalProperties | 3 +- .../RAS/SandiaD_LTS/system/controlDict | 2 +- .../constant/thermophysicalProperties | 2 +- .../constant/chemistryProperties | 2 + .../counterFlowFlame2D/constant/reactions | 19 --- .../constant/thermo.compressibleGas | 18 +-- .../constant/thermophysicalProperties | 6 +- .../constant/chemistryProperties | 2 + .../counterFlowFlame2DLTS/constant/reactions | 19 --- .../constant/thermo.compressibleGas | 18 +-- .../constant/thermophysicalProperties | 6 +- .../constant/chemistryProperties | 2 + .../constant/reactionsGRI | 70 -------- .../constant/thermo.compressibleGasGRI | 59 +++++++ .../constant/thermophysicalProperties | 4 +- .../constant/chemistryProperties | 1 + .../constant/reactionsGRI | 70 -------- .../constant/thermo.compressibleGasGRI | 59 +++++++ .../constant/thermophysicalProperties | 4 +- .../constant/chemistryProperties | 2 + .../constant/reactionsGRI | 70 -------- .../constant/thermo.compressibleGasGRI | 59 +++++++ .../constant/thermophysicalProperties | 4 +- .../constant/gas/chemistryProperties | 1 + .../reverseBurner/constant/gas/reactions | 19 --- .../constant/gas/thermo.compressibleGas | 18 +-- .../constant/gas/thermophysicalProperties | 3 +- .../constant/chemistryProperties | 1 + .../constant/thermophysicalProperties | 5 +- .../constant/chemistryProperties | 2 + .../counterFlowFlame2DLTS/constant/reactions | 19 --- .../constant/thermo.compressibleGas | 18 +-- .../constant/thermophysicalProperties | 6 +- .../cylinder/constant/chemistryProperties | 1 + .../constant/thermophysicalProperties | 5 +- .../filter/constant/chemistryProperties | 1 + .../filter/constant/reactions | 17 -- .../filter/constant/thermo.incompressiblePoly | 16 +- .../filter/constant/thermophysicalProperties | 5 +- .../hotBoxes/constant/chemistryProperties | 1 + .../constant/thermophysicalProperties | 5 +- .../parcelInBox/constant/chemistryProperties | 2 + .../parcelInBox/constant/reactions | 16 -- .../constant/thermo.incompressiblePoly | 15 +- .../constant/thermophysicalProperties | 5 +- .../rivuletPanel/constant/chemistryProperties | 1 + .../constant/thermophysicalProperties | 5 +- .../splashPanel/constant/chemistryProperties | 1 + .../constant/thermophysicalProperties | 5 +- .../constant/chemistryProperties | 1 + .../verticalChannel/constant/reactions | 16 -- .../constant/thermo.incompressiblePoly | 15 +- .../constant/thermophysicalProperties | 5 +- .../constant/chemistryProperties | 1 + .../verticalChannelLTS/constant/reactions | 16 -- .../constant/thermo.incompressiblePoly | 15 +- .../constant/thermophysicalProperties | 5 +- .../constant/chemistryProperties | 1 + .../verticalChannel/constant/reactions | 16 -- .../constant/thermo.incompressiblePoly | 15 +- .../constant/thermophysicalProperties | 5 +- .../aachenBomb/constant/chemistryProperties | 1 + .../constant/thermophysicalProperties | 4 +- .../constant/chemistryProperties.gas | 2 + .../constant/reactions.gas | 9 -- .../constant/thermo.gas | 9 ++ .../constant/thermophysicalProperties.gas | 3 +- 120 files changed, 464 insertions(+), 1180 deletions(-) delete mode 100644 src/thermophysicalModels/reactionThermo/mixtures/reactingMixture/reactingMixture.C delete mode 100644 src/thermophysicalModels/reactionThermo/mixtures/reactingMixture/reactingMixture.H delete mode 100644 tutorials/combustion/fireFoam/LES/smallPoolFire3D/constant/chemistryProperties diff --git a/applications/solvers/combustion/chemFoam/chemFoam.C b/applications/solvers/combustion/chemFoam/chemFoam.C index 9c236306f5..15680864dc 100644 --- a/applications/solvers/combustion/chemFoam/chemFoam.C +++ b/applications/solvers/combustion/chemFoam/chemFoam.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2019 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -34,7 +34,7 @@ Description #include "fvCFD.H" #include "rhoReactionThermo.H" #include "BasicChemistryModel.H" -#include "reactingMixture.H" +#include "multiComponentMixture.H" #include "chemistrySolver.H" #include "OFstream.H" #include "thermoPhysicsTypes.H" diff --git a/applications/solvers/combustion/chemFoam/thermoTypeFunctions.H b/applications/solvers/combustion/chemFoam/thermoTypeFunctions.H index 2b3b4e66c9..64a545a2e2 100644 --- a/applications/solvers/combustion/chemFoam/thermoTypeFunctions.H +++ b/applications/solvers/combustion/chemFoam/thermoTypeFunctions.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2018 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2018-2019 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -27,7 +27,7 @@ template scalarList W(const rhoReactionThermo& thermo) { const PtrList& specieData = - dynamicCast>(thermo) + dynamicCast>(thermo) .speciesData(); scalarList W(specieData.size()); @@ -51,7 +51,7 @@ scalar h0 ) { const PtrList& specieData = - dynamic_cast&>(thermo) + dynamic_cast&>(thermo) .speciesData(); scalar h0 = 0; @@ -66,11 +66,11 @@ scalar h0 scalarList W(const rhoReactionThermo& thermo) { - if (isA>(thermo)) + if (isA>(thermo)) { return W(thermo); } - else if (isA>(thermo)) + else if (isA>(thermo)) { return W(thermo); } @@ -94,11 +94,11 @@ scalar h0 const scalar T ) { - if (isA>(thermo)) + if (isA>(thermo)) { return h0(thermo, Y, p, T); } - else if (isA>(thermo)) + else if (isA>(thermo)) { return h0(thermo, Y, p, T); } diff --git a/applications/solvers/multiphase/reactingEulerFoam/interfacialCompositionModels/interfaceCompositionModels/InterfaceCompositionModel/InterfaceCompositionModels.C b/applications/solvers/multiphase/reactingEulerFoam/interfacialCompositionModels/interfaceCompositionModels/InterfaceCompositionModel/InterfaceCompositionModels.C index 2ee03d7abc..1bcaf08c35 100644 --- a/applications/solvers/multiphase/reactingEulerFoam/interfacialCompositionModels/interfaceCompositionModels/InterfaceCompositionModel/InterfaceCompositionModels.C +++ b/applications/solvers/multiphase/reactingEulerFoam/interfacialCompositionModels/interfaceCompositionModels/InterfaceCompositionModel/InterfaceCompositionModels.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2015-2018 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2015-2019 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -45,7 +45,6 @@ License #include "pureMixture.H" #include "multiComponentMixture.H" -#include "reactingMixture.H" #include "SpecieMixture.H" #include "rhoThermo.H" @@ -64,32 +63,6 @@ License multiComponentMixture, Thermo1, \ heRhoThermo, rhoReactionThermo, \ multiComponentMixture, Thermo2 \ - ); \ - makeSpecieInterfaceCompositionType \ - ( \ - Model, \ - heRhoThermo, rhoReactionThermo, \ - reactingMixture, Thermo1, \ - heRhoThermo, rhoReactionThermo, \ - multiComponentMixture, Thermo2 \ - ); \ - \ - /* Composition at an interface with a reacting mixture */ \ - makeSpecieInterfaceCompositionType \ - ( \ - Model, \ - heRhoThermo, rhoReactionThermo, \ - multiComponentMixture, Thermo1, \ - heRhoThermo, rhoReactionThermo, \ - reactingMixture, Thermo2 \ - ); \ - makeSpecieInterfaceCompositionType \ - ( \ - Model, \ - heRhoThermo, rhoReactionThermo, \ - reactingMixture, Thermo1, \ - heRhoThermo, rhoReactionThermo, \ - reactingMixture, Thermo2 \ ); #define makeInterfaceCompositionModel(Model, Thermo1, Thermo2) \ @@ -102,14 +75,6 @@ License multiComponentMixture, Thermo1, \ heRhoThermo, rhoThermo, \ pureMixture, Thermo2 \ - ); \ - makeInterfaceCompositionType \ - ( \ - Model, \ - heRhoThermo, rhoReactionThermo, \ - reactingMixture, Thermo1, \ - heRhoThermo, rhoThermo, \ - pureMixture, Thermo2 \ ); \ \ /* Composition at an interface with non-pure mixtures */ \ diff --git a/etc/controlDict b/etc/controlDict index ef3c3545b9..aff6dfd36e 100644 --- a/etc/controlDict +++ b/etc/controlDict @@ -535,7 +535,6 @@ DebugSwitches hMixtureThermo>>>> 0; hMixtureThermo>>>> 0; hMixtureThermo>>>> 0; - hMixtureThermo 0; hMixtureThermo>>>> 0; hMixtureThermo>>>> 0; hThermo>>>> 0; diff --git a/src/combustionModels/singleStepCombustion/singleStepCombustion.C b/src/combustionModels/singleStepCombustion/singleStepCombustion.C index c35ae5ddbf..1cce2cac43 100644 --- a/src/combustionModels/singleStepCombustion/singleStepCombustion.C +++ b/src/combustionModels/singleStepCombustion/singleStepCombustion.C @@ -147,8 +147,16 @@ singleStepCombustion::singleStepCombustion ) : ThermoCombustion(modelType, thermo, turb), - mixture_(dynamic_cast&>(this->thermo())), - reactions_(mixture_.reactions()), + mixture_ + ( + dynamic_cast&>(this->thermo()) + ), + reactions_ + ( + thermo, + mixture_.species(), + mixture_.speciesData() + ), stoicRatio_(dimensionedScalar("stoicRatio", dimless, 0)), s_(dimensionedScalar("s", dimless, 0)), qFuel_(dimensionedScalar("qFuel", sqr(dimVelocity), 0)), diff --git a/src/combustionModels/singleStepCombustion/singleStepCombustion.H b/src/combustionModels/singleStepCombustion/singleStepCombustion.H index 1c56c413a3..af7efaaffd 100644 --- a/src/combustionModels/singleStepCombustion/singleStepCombustion.H +++ b/src/combustionModels/singleStepCombustion/singleStepCombustion.H @@ -25,7 +25,7 @@ Class Foam::combustionModels::singleStepCombustion Description - Base class for combustion models using reactingMixture. + Base class for combustion models using multiComponentMixture. SourceFiles singleStepCombustion.C @@ -35,8 +35,9 @@ SourceFiles #ifndef singleStepCombustion_H #define singleStepCombustion_H -#include "reactingMixture.H" +#include "multiComponentMixture.H" #include "ThermoCombustion.H" +#include "ReactionList.H" // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // @@ -58,10 +59,10 @@ protected: // Protected data - const reactingMixture& mixture_; + const multiComponentMixture& mixture_; //- Reactions - const PtrList>& reactions_; + ReactionList reactions_; //- Stoichiometric air-fuel mass ratio dimensionedScalar stoicRatio_; diff --git a/src/radiationModels/Make/files b/src/radiationModels/Make/files index 8556db1a62..9ae44de9c3 100644 --- a/src/radiationModels/Make/files +++ b/src/radiationModels/Make/files @@ -29,7 +29,7 @@ absorptionEmissionModels/greyMeanSolid/greyMeanSolid.C /* Soot model */ sootModels/sootModel/sootModel.C sootModels/sootModel/sootModelNew.C -sootModels/mixtureFraction/mixtureFractions.C +/* sootModels/mixtureFraction/mixtureFractions.C */ sootModels/noSoot/noSoot.C /* Boundary conditions */ diff --git a/src/radiationModels/sootModels/mixtureFraction/mixtureFraction.C b/src/radiationModels/sootModels/mixtureFraction/mixtureFraction.C index 61893e1650..934c9f76b8 100644 --- a/src/radiationModels/sootModels/mixtureFraction/mixtureFraction.C +++ b/src/radiationModels/sootModels/mixtureFraction/mixtureFraction.C @@ -24,20 +24,20 @@ License \*---------------------------------------------------------------------------*/ #include "mixtureFraction.H" -#include "reactingMixture.H" +#include "multiComponentMixture.H" // * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * // template -const Foam::reactingMixture& +const Foam::multiComponentMixture& Foam::radiationModels::sootModels::mixtureFraction::checkThermo ( const fluidThermo& thermo ) { - if (isA>(thermo)) + if (isA>(thermo)) { - return dynamic_cast& > + return dynamic_cast& > ( thermo ); @@ -47,9 +47,9 @@ Foam::radiationModels::sootModels::mixtureFraction::checkThermo FatalErrorInFunction << "Inconsistent thermo package for " << thermo.type() << "Please select a thermo package based on " - << "reactingMixture" << exit(FatalError); + << "multiComponentMixture" << exit(FatalError); - return dynamic_cast& > + return dynamic_cast& > ( thermo ); diff --git a/src/radiationModels/sootModels/mixtureFraction/mixtureFraction.H b/src/radiationModels/sootModels/mixtureFraction/mixtureFraction.H index f12d2a1977..032dfaec24 100644 --- a/src/radiationModels/sootModels/mixtureFraction/mixtureFraction.H +++ b/src/radiationModels/sootModels/mixtureFraction/mixtureFraction.H @@ -63,7 +63,7 @@ SourceFiles #include "HashTable.H" #include "fluidThermo.H" -#include "reactingMixture.H" +#include "multiComponentMixture.H" // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // @@ -86,7 +86,7 @@ class mixtureFraction // Static functions //- Check mixture in thermo - static const reactingMixture& checkThermo + static const multiComponentMixture& checkThermo ( const fluidThermo& ); @@ -118,8 +118,8 @@ class mixtureFraction //- Thermo package const fluidThermo& thermo_; - //- Auto Ptr to reactingMixture - const reactingMixture& mixture_; + //- Auto Ptr to multiComponentMixture + const multiComponentMixture& mixture_; public: @@ -145,12 +145,6 @@ public: // Member Functions - // Edit - - //- Main update/correction routine - virtual void correct(); - - // Access //- Return Ysoot @@ -159,6 +153,10 @@ public: return soot_; } + // Edit + + //- Main update/correction routine + virtual void correct(); }; diff --git a/src/thermophysicalModels/chemistryModel/chemistryModel/StandardChemistryModel/StandardChemistryModel.C b/src/thermophysicalModels/chemistryModel/chemistryModel/StandardChemistryModel/StandardChemistryModel.C index d2b0e7ad9f..e8c33fbccb 100644 --- a/src/thermophysicalModels/chemistryModel/chemistryModel/StandardChemistryModel/StandardChemistryModel.C +++ b/src/thermophysicalModels/chemistryModel/chemistryModel/StandardChemistryModel/StandardChemistryModel.C @@ -24,7 +24,7 @@ License \*---------------------------------------------------------------------------*/ #include "StandardChemistryModel.H" -#include "reactingMixture.H" +#include "multiComponentMixture.H" #include "UniformField.H" #include "extrapolatedCalculatedFvPatchFields.H" @@ -39,18 +39,18 @@ Foam::StandardChemistryModel::StandardChemistryModel BasicChemistryModel(thermo), ODESystem(), Y_(this->thermo().composition().Y()), - reactions_ - ( - dynamic_cast&> - ( - this->thermo() - ).reactions() - ), specieThermo_ ( - dynamic_cast&> + dynamic_cast&> (this->thermo()).speciesData() ), + reactions_ + ( + *this, + dynamic_cast&> + (this->thermo()).species(), + specieThermo_ + ), nSpecie_(Y_.size()), nReaction_(reactions_.size()), diff --git a/src/thermophysicalModels/chemistryModel/chemistryModel/StandardChemistryModel/StandardChemistryModel.H b/src/thermophysicalModels/chemistryModel/chemistryModel/StandardChemistryModel/StandardChemistryModel.H index 98b0935910..77186b8fc7 100644 --- a/src/thermophysicalModels/chemistryModel/chemistryModel/StandardChemistryModel/StandardChemistryModel.H +++ b/src/thermophysicalModels/chemistryModel/chemistryModel/StandardChemistryModel/StandardChemistryModel.H @@ -39,10 +39,9 @@ SourceFiles #define StandardChemistryModel_H #include "BasicChemistryModel.H" -#include "Reaction.H" +#include "ReactionList.H" #include "ODESystem.H" #include "volFields.H" -#include "simpleMatrix.H" // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // @@ -80,12 +79,12 @@ protected: //- Reference to the field of specie mass fractions PtrList& Y_; - //- Reactions - const PtrList>& reactions_; - //- Thermodynamic data of the species const PtrList& specieThermo_; + //- Reactions + const ReactionList reactions_; + //- Number of species label nSpecie_; diff --git a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/TDACChemistryModel.C b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/TDACChemistryModel.C index b92363e6e9..8795cf7352 100644 --- a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/TDACChemistryModel.C +++ b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/TDACChemistryModel.C @@ -70,7 +70,7 @@ Foam::TDACChemistryModel::TDACChemistryModel basicSpecieMixture& composition = this->thermo().composition(); const HashTable>& specComp = - dynamicCast&>(this->thermo()) + dynamicCast&>(this->thermo()) .specieComposition(); forAll(specieComp_, i) diff --git a/src/thermophysicalModels/reactionThermo/mixtures/reactingMixture/reactingMixture.C b/src/thermophysicalModels/reactionThermo/mixtures/reactingMixture/reactingMixture.C deleted file mode 100644 index 591677595d..0000000000 --- a/src/thermophysicalModels/reactionThermo/mixtures/reactingMixture/reactingMixture.C +++ /dev/null @@ -1,49 +0,0 @@ -/*---------------------------------------------------------------------------*\ - ========= | - \\ / F ield | OpenFOAM: The Open Source CFD Toolbox - \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2011-2019 OpenFOAM Foundation - \\/ M anipulation | -------------------------------------------------------------------------------- -License - This file is part of OpenFOAM. - - OpenFOAM is free software: you can redistribute it and/or modify it - under the terms of the GNU General Public License as published by - the Free Software Foundation, either version 3 of the License, or - (at your option) any later version. - - OpenFOAM is distributed in the hope that it will be useful, but WITHOUT - ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or - FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License - for more details. - - You should have received a copy of the GNU General Public License - along with OpenFOAM. If not, see . - -\*---------------------------------------------------------------------------*/ - -#include "reactingMixture.H" -#include "fvMesh.H" - -// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // - -template -Foam::reactingMixture::reactingMixture -( - const dictionary& thermoDict, - const fvMesh& mesh, - const word& phaseName -) -: - multiComponentMixture - ( - thermoDict, - mesh, - phaseName - ), - reactions_(thermoDict, this->species(), this->speciesData()) -{} - - -// ************************************************************************* // diff --git a/src/thermophysicalModels/reactionThermo/mixtures/reactingMixture/reactingMixture.H b/src/thermophysicalModels/reactionThermo/mixtures/reactingMixture/reactingMixture.H deleted file mode 100644 index 3288991883..0000000000 --- a/src/thermophysicalModels/reactionThermo/mixtures/reactingMixture/reactingMixture.H +++ /dev/null @@ -1,111 +0,0 @@ -/*---------------------------------------------------------------------------*\ - ========= | - \\ / F ield | OpenFOAM: The Open Source CFD Toolbox - \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2011-2019 OpenFOAM Foundation - \\/ M anipulation | -------------------------------------------------------------------------------- -License - This file is part of OpenFOAM. - - OpenFOAM is free software: you can redistribute it and/or modify it - under the terms of the GNU General Public License as published by - the Free Software Foundation, either version 3 of the License, or - (at your option) any later version. - - OpenFOAM is distributed in the hope that it will be useful, but WITHOUT - ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or - FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License - for more details. - - You should have received a copy of the GNU General Public License - along with OpenFOAM. If not, see . - -Class - Foam::reactingMixture - -Description - Foam::reactingMixture - -SourceFiles - reactingMixture.C - -\*---------------------------------------------------------------------------*/ - -#ifndef reactingMixture_H -#define reactingMixture_H - -#include "multiComponentMixture.H" -#include "ReactionList.H" - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -namespace Foam -{ - -/*---------------------------------------------------------------------------*\ - Class reactingMixture Declaration -\*---------------------------------------------------------------------------*/ - -template -class reactingMixture -: - public multiComponentMixture -{ - // Private member data - - ReactionList reactions_; - - -public: - - // Constructors - - //- Construct from dictionary, mesh and phase name - reactingMixture(const dictionary&, const fvMesh&, const word&); - - //- Disallow default bitwise copy construction - reactingMixture(const reactingMixture&) = delete; - - - //- Destructor - virtual ~reactingMixture() - {} - - - // Member Functions - - //- Return the instantiated type name - static word typeName() - { - return "reactingMixture<" + ThermoType::typeName() + '>'; - } - - const PtrList>& reactions() const - { - return reactions_; - } - - - // Member Operators - - //- Disallow default bitwise assignment - void operator=(const reactingMixture&) = delete; -}; - - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -} // End namespace Foam - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -#ifdef NoRepository - #include "reactingMixture.C" -#endif - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -#endif - -// ************************************************************************* // diff --git a/src/thermophysicalModels/reactionThermo/psiReactionThermo/psiReactionThermos.C b/src/thermophysicalModels/reactionThermo/psiReactionThermo/psiReactionThermos.C index 349cfe76c0..15bf24577b 100644 --- a/src/thermophysicalModels/reactionThermo/psiReactionThermo/psiReactionThermos.C +++ b/src/thermophysicalModels/reactionThermo/psiReactionThermo/psiReactionThermos.C @@ -41,7 +41,6 @@ License #include "inhomogeneousMixture.H" #include "veryInhomogeneousMixture.H" #include "multiComponentMixture.H" -#include "reactingMixture.H" #include "singleComponentMixture.H" #include "thermoPhysicsTypes.H" @@ -222,48 +221,6 @@ makeThermoPhysicsReactionThermos ); -// Reaction thermo for sensible enthalpy - -makeThermoPhysicsReactionThermos -( - psiThermo, - psiReactionThermo, - hePsiThermo, - reactingMixture, - constGasHThermoPhysics -); - -makeThermoPhysicsReactionThermos -( - psiThermo, - psiReactionThermo, - hePsiThermo, - reactingMixture, - gasHThermoPhysics -); - - -// Reaction thermo for internal energy - -makeThermoPhysicsReactionThermos -( - psiThermo, - psiReactionThermo, - hePsiThermo, - reactingMixture, - constGasEThermoPhysics -); - -makeThermoPhysicsReactionThermos -( - psiThermo, - psiReactionThermo, - hePsiThermo, - reactingMixture, - gasEThermoPhysics -); - - // Single-component thermo for sensible enthalpy makeThermoPhysicsReactionThermo diff --git a/src/thermophysicalModels/reactionThermo/rhoReactionThermo/rhoReactionThermos.C b/src/thermophysicalModels/reactionThermo/rhoReactionThermo/rhoReactionThermos.C index e49494f890..6f6c99641b 100644 --- a/src/thermophysicalModels/reactionThermo/rhoReactionThermo/rhoReactionThermos.C +++ b/src/thermophysicalModels/reactionThermo/rhoReactionThermo/rhoReactionThermos.C @@ -48,7 +48,6 @@ License #include "inhomogeneousMixture.H" #include "veryInhomogeneousMixture.H" #include "multiComponentMixture.H" -#include "reactingMixture.H" #include "singleComponentMixture.H" #include "thermoPhysicsTypes.H" @@ -294,81 +293,6 @@ makeThermoPhysicsReactionThermos ); -// Reaction thermo for internal energy - -makeThermoPhysicsReactionThermos -( - rhoThermo, - rhoReactionThermo, - heRhoThermo, - reactingMixture, - constGasEThermoPhysics -); - -makeThermoPhysicsReactionThermos -( - rhoThermo, - rhoReactionThermo, - heRhoThermo, - reactingMixture, - gasEThermoPhysics -); - -makeThermoPhysicsReactionThermos -( - rhoThermo, - rhoReactionThermo, - heRhoThermo, - reactingMixture, - constIncompressibleGasEThermoPhysics -); - -makeThermoPhysicsReactionThermos -( - rhoThermo, - rhoReactionThermo, - heRhoThermo, - reactingMixture, - incompressibleGasEThermoPhysics -); - -makeThermoPhysicsReactionThermos -( - rhoThermo, - rhoReactionThermo, - heRhoThermo, - reactingMixture, - icoPoly8EThermoPhysics -); - -makeThermoPhysicsReactionThermos -( - rhoThermo, - rhoReactionThermo, - heRhoThermo, - reactingMixture, - constFluidEThermoPhysics -); - -makeThermoPhysicsReactionThermos -( - rhoThermo, - rhoReactionThermo, - heRhoThermo, - reactingMixture, - constAdiabaticFluidEThermoPhysics -); - -makeThermoPhysicsReactionThermos -( - rhoThermo, - rhoReactionThermo, - heRhoThermo, - reactingMixture, - constEThermoPhysics -); - - // Single-component thermo for internal energy makeThermoPhysicsReactionThermo @@ -548,81 +472,6 @@ makeThermoPhysicsReactionThermos ); -// Reaction thermo for sensible enthalpy - -makeThermoPhysicsReactionThermos -( - rhoThermo, - rhoReactionThermo, - heRhoThermo, - reactingMixture, - constGasHThermoPhysics -); - -makeThermoPhysicsReactionThermos -( - rhoThermo, - rhoReactionThermo, - heRhoThermo, - reactingMixture, - gasHThermoPhysics -); - -makeThermoPhysicsReactionThermos -( - rhoThermo, - rhoReactionThermo, - heRhoThermo, - reactingMixture, - constIncompressibleGasHThermoPhysics -); - -makeThermoPhysicsReactionThermos -( - rhoThermo, - rhoReactionThermo, - heRhoThermo, - reactingMixture, - incompressibleGasHThermoPhysics -); - -makeThermoPhysicsReactionThermos -( - rhoThermo, - rhoReactionThermo, - heRhoThermo, - reactingMixture, - icoPoly8HThermoPhysics -); - -makeThermoPhysicsReactionThermos -( - rhoThermo, - rhoReactionThermo, - heRhoThermo, - reactingMixture, - constFluidHThermoPhysics -); - -makeThermoPhysicsReactionThermos -( - rhoThermo, - rhoReactionThermo, - heRhoThermo, - reactingMixture, - constAdiabaticFluidHThermoPhysics -); - -makeThermoPhysicsReactionThermos -( - rhoThermo, - rhoReactionThermo, - heRhoThermo, - reactingMixture, - constHThermoPhysics -); - - // Single-component thermo for sensible enthalpy makeThermoPhysicsReactionThermo diff --git a/src/thermophysicalModels/solidChemistryModel/solidChemistryModel/solidChemistryModel.C b/src/thermophysicalModels/solidChemistryModel/solidChemistryModel/solidChemistryModel.C index 9455c39f9e..ef1f6ec3b4 100644 --- a/src/thermophysicalModels/solidChemistryModel/solidChemistryModel/solidChemistryModel.C +++ b/src/thermophysicalModels/solidChemistryModel/solidChemistryModel/solidChemistryModel.C @@ -24,7 +24,7 @@ License \*---------------------------------------------------------------------------*/ #include "solidChemistryModel.H" -#include "reactingMixture.H" +#include "multiComponentMixture.H" // * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // @@ -37,20 +37,20 @@ Foam::solidChemistryModel::solidChemistryModel CompType(thermo), ODESystem(), Ys_(this->solidThermo().composition().Y()), - reactions_ - ( - dynamic_cast&> - ( - this->solidThermo() - ).reactions() - ), solidThermo_ ( - dynamic_cast&> + dynamic_cast&> ( this->solidThermo() ).speciesData() ), + reactions_ + ( + *this, + dynamic_cast&> + (this->solidThermo()).species(), + solidThermo_ + ), nSolids_(Ys_.size()), nReaction_(reactions_.size()), RRs_(nSolids_), diff --git a/src/thermophysicalModels/solidChemistryModel/solidChemistryModel/solidChemistryModel.H b/src/thermophysicalModels/solidChemistryModel/solidChemistryModel/solidChemistryModel.H index 44b95483bf..5d2bd51386 100644 --- a/src/thermophysicalModels/solidChemistryModel/solidChemistryModel/solidChemistryModel.H +++ b/src/thermophysicalModels/solidChemistryModel/solidChemistryModel/solidChemistryModel.H @@ -39,10 +39,9 @@ SourceFiles #ifndef solidChemistryModel_H #define solidChemistryModel_H -#include "Reaction.H" +#include "ReactionList.H" #include "ODESystem.H" #include "volFields.H" -#include "simpleMatrix.H" // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // @@ -67,12 +66,12 @@ protected: //- Reference to solid mass fractions PtrList& Ys_; - //- Reactions - const PtrList>& reactions_; - //- Thermodynamic data of solids const PtrList& solidThermo_; + //- Reactions + const ReactionList reactions_; + //- Number of solid components label nSolids_; diff --git a/src/thermophysicalModels/solidThermo/solidReactionThermo/solidReactionThermos.C b/src/thermophysicalModels/solidThermo/solidReactionThermo/solidReactionThermos.C index d2939fdb8c..f006aea9a8 100644 --- a/src/thermophysicalModels/solidThermo/solidReactionThermo/solidReactionThermos.C +++ b/src/thermophysicalModels/solidThermo/solidReactionThermo/solidReactionThermos.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2019 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -35,7 +35,6 @@ License #include "constAnIsoSolidTransport.H" #include "exponentialSolidTransport.H" -#include "reactingMixture.H" #include "multiComponentMixture.H" #include "sensibleEnthalpy.H" @@ -53,7 +52,7 @@ makeReactingSolidThermo ( solidReactionThermo, heSolidThermo, - reactingMixture, + multiComponentMixture, constIsoSolidTransport, sensibleEnthalpy, hConstThermo, @@ -66,23 +65,10 @@ makeReactingSolidThermo ( solidReactionThermo, heSolidThermo, - reactingMixture, - constIsoSolidTransport, - sensibleEnthalpy, - hPowerThermo, - rhoConst, - specie -); - - -makeReactingSolidThermo -( - solidThermo, - heSolidThermo, multiComponentMixture, constIsoSolidTransport, sensibleEnthalpy, - hConstThermo, + hPowerThermo, rhoConst, specie ); diff --git a/tutorials/combustion/chemFoam/gri/constant/chemistryProperties b/tutorials/combustion/chemFoam/gri/constant/chemistryProperties index 534292e0e9..a04784fbd1 100644 --- a/tutorials/combustion/chemFoam/gri/constant/chemistryProperties +++ b/tutorials/combustion/chemFoam/gri/constant/chemistryProperties @@ -37,5 +37,6 @@ odeCoeffs relTol 1e-1; } +#include "reactions" // ************************************************************************* // diff --git a/tutorials/combustion/chemFoam/gri/constant/thermophysicalProperties b/tutorials/combustion/chemFoam/gri/constant/thermophysicalProperties index 5884460096..8cfb15e5bd 100644 --- a/tutorials/combustion/chemFoam/gri/constant/thermophysicalProperties +++ b/tutorials/combustion/chemFoam/gri/constant/thermophysicalProperties @@ -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" // ************************************************************************* // diff --git a/tutorials/combustion/chemFoam/h2/constant/chemistryProperties b/tutorials/combustion/chemFoam/h2/constant/chemistryProperties index 534292e0e9..a04784fbd1 100644 --- a/tutorials/combustion/chemFoam/h2/constant/chemistryProperties +++ b/tutorials/combustion/chemFoam/h2/constant/chemistryProperties @@ -37,5 +37,6 @@ odeCoeffs relTol 1e-1; } +#include "reactions" // ************************************************************************* // diff --git a/tutorials/combustion/chemFoam/h2/constant/thermophysicalProperties b/tutorials/combustion/chemFoam/h2/constant/thermophysicalProperties index 5884460096..8cfb15e5bd 100644 --- a/tutorials/combustion/chemFoam/h2/constant/thermophysicalProperties +++ b/tutorials/combustion/chemFoam/h2/constant/thermophysicalProperties @@ -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" // ************************************************************************* // diff --git a/tutorials/combustion/chemFoam/ic8h18/constant/chemistryProperties b/tutorials/combustion/chemFoam/ic8h18/constant/chemistryProperties index 534292e0e9..a04784fbd1 100644 --- a/tutorials/combustion/chemFoam/ic8h18/constant/chemistryProperties +++ b/tutorials/combustion/chemFoam/ic8h18/constant/chemistryProperties @@ -37,5 +37,6 @@ odeCoeffs relTol 1e-1; } +#include "reactions" // ************************************************************************* // diff --git a/tutorials/combustion/chemFoam/ic8h18/constant/thermophysicalProperties b/tutorials/combustion/chemFoam/ic8h18/constant/thermophysicalProperties index 5884460096..8cfb15e5bd 100644 --- a/tutorials/combustion/chemFoam/ic8h18/constant/thermophysicalProperties +++ b/tutorials/combustion/chemFoam/ic8h18/constant/thermophysicalProperties @@ -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" // ************************************************************************* // diff --git a/tutorials/combustion/chemFoam/ic8h18_TDAC/constant/chemistryProperties b/tutorials/combustion/chemFoam/ic8h18_TDAC/constant/chemistryProperties index 2f554fa9eb..ac61548863 100644 --- a/tutorials/combustion/chemFoam/ic8h18_TDAC/constant/chemistryProperties +++ b/tutorials/combustion/chemFoam/ic8h18_TDAC/constant/chemistryProperties @@ -53,5 +53,6 @@ tabulation method none; } +#include "reactions" // ************************************************************************* // diff --git a/tutorials/combustion/chemFoam/ic8h18_TDAC/constant/thermophysicalProperties b/tutorials/combustion/chemFoam/ic8h18_TDAC/constant/thermophysicalProperties index 5884460096..8cfb15e5bd 100644 --- a/tutorials/combustion/chemFoam/ic8h18_TDAC/constant/thermophysicalProperties +++ b/tutorials/combustion/chemFoam/ic8h18_TDAC/constant/thermophysicalProperties @@ -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" // ************************************************************************* // diff --git a/tutorials/combustion/chemFoam/nc7h16/constant/chemistryProperties b/tutorials/combustion/chemFoam/nc7h16/constant/chemistryProperties index 074ddbd849..25b51b4583 100644 --- a/tutorials/combustion/chemFoam/nc7h16/constant/chemistryProperties +++ b/tutorials/combustion/chemFoam/nc7h16/constant/chemistryProperties @@ -37,5 +37,6 @@ odeCoeffs relTol 1e-1; } +#include "reactions" // ************************************************************************* // diff --git a/tutorials/combustion/chemFoam/nc7h16/constant/thermophysicalProperties b/tutorials/combustion/chemFoam/nc7h16/constant/thermophysicalProperties index 5884460096..8cfb15e5bd 100644 --- a/tutorials/combustion/chemFoam/nc7h16/constant/thermophysicalProperties +++ b/tutorials/combustion/chemFoam/nc7h16/constant/thermophysicalProperties @@ -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" // ************************************************************************* // diff --git a/tutorials/combustion/coldEngineFoam/freePiston/constant/thermophysicalProperties b/tutorials/combustion/coldEngineFoam/freePiston/constant/thermophysicalProperties index 9e3f0b5a05..34f2e3595b 100644 --- a/tutorials/combustion/coldEngineFoam/freePiston/constant/thermophysicalProperties +++ b/tutorials/combustion/coldEngineFoam/freePiston/constant/thermophysicalProperties @@ -18,7 +18,7 @@ FoamFile thermoType { type hePsiThermo; - mixture reactingMixture; + mixture multiComponentMixture; transport sutherland; thermo janaf; equationOfState perfectGas; diff --git a/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/pyrolysisRegion/chemistryProperties b/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/pyrolysisRegion/chemistryProperties index 5e408db95a..3e34575142 100644 --- a/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/pyrolysisRegion/chemistryProperties +++ b/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/pyrolysisRegion/chemistryProperties @@ -31,4 +31,6 @@ odeCoeffs eps 0.05; } +#include "reactions" + // ************************************************************************* // diff --git a/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/pyrolysisRegion/reactions b/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/pyrolysisRegion/reactions index a418b5907f..201faa3326 100644 --- a/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/pyrolysisRegion/reactions +++ b/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/pyrolysisRegion/reactions @@ -15,12 +15,6 @@ FoamFile } // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // -species -( - wood - char -); - gaseousSpecies ( gas diff --git a/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/pyrolysisRegion/thermo.solid b/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/pyrolysisRegion/thermo.solid index d621e81da4..b2528e06fc 100644 --- a/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/pyrolysisRegion/thermo.solid +++ b/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/pyrolysisRegion/thermo.solid @@ -15,6 +15,12 @@ FoamFile } // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // +species +( + wood + char +); + wood { specie diff --git a/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/pyrolysisRegion/thermophysicalProperties b/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/pyrolysisRegion/thermophysicalProperties index b58b37d456..155ac79cba 100644 --- a/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/pyrolysisRegion/thermophysicalProperties +++ b/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/pyrolysisRegion/thermophysicalProperties @@ -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" // ************************************************************************* // diff --git a/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/reactions b/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/reactions index 470a1bfc6b..94e0ff7805 100644 --- a/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/reactions +++ b/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/reactions @@ -15,15 +15,6 @@ FoamFile } // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // -species -( - O2 - H2O - C3H8 - CO2 - N2 -); - reactions { propaneReaction @@ -33,5 +24,4 @@ reactions } } - // ************************************************************************* // diff --git a/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/thermo.compressibleGas b/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/thermo.compressibleGas index 663f70f0b9..23f9e192f5 100644 --- a/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/thermo.compressibleGas +++ b/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/thermo.compressibleGas @@ -15,6 +15,15 @@ FoamFile } // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // +species +( + O2 + H2O + C3H8 + CO2 + N2 +); + O2 { specie diff --git a/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/thermophysicalProperties b/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/thermophysicalProperties index 8559c13b75..121cee1814 100644 --- a/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/thermophysicalProperties +++ b/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/thermophysicalProperties @@ -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" + // ************************************************************************* // diff --git a/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/panelRegion/chemistryProperties b/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/panelRegion/chemistryProperties index 0f76644d80..d5cddcc2ae 100644 --- a/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/panelRegion/chemistryProperties +++ b/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/panelRegion/chemistryProperties @@ -32,5 +32,6 @@ odeCoeffs relTol 0.01; } +#include "reactions" // ************************************************************************* // diff --git a/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/panelRegion/reactions b/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/panelRegion/reactions index a418b5907f..201faa3326 100644 --- a/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/panelRegion/reactions +++ b/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/panelRegion/reactions @@ -15,12 +15,6 @@ FoamFile } // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // -species -( - wood - char -); - gaseousSpecies ( gas diff --git a/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/panelRegion/thermo.solid b/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/panelRegion/thermo.solid index d621e81da4..b2528e06fc 100644 --- a/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/panelRegion/thermo.solid +++ b/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/panelRegion/thermo.solid @@ -15,6 +15,12 @@ FoamFile } // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // +species +( + wood + char +); + wood { specie diff --git a/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/panelRegion/thermophysicalProperties b/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/panelRegion/thermophysicalProperties index 4967aa5b4a..6074fc8d06 100644 --- a/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/panelRegion/thermophysicalProperties +++ b/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/panelRegion/thermophysicalProperties @@ -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" // ************************************************************************* // diff --git a/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/thermophysicalProperties b/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/thermophysicalProperties index 928d97031c..9c4cf1cba8 100644 --- a/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/thermophysicalProperties +++ b/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/thermophysicalProperties @@ -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" - - // ************************************************************************* // diff --git a/tutorials/combustion/fireFoam/LES/smallPoolFire2D/constant/radiationProperties b/tutorials/combustion/fireFoam/LES/smallPoolFire2D/constant/radiationProperties index 60a272d10d..737ddf8945 100644 --- a/tutorials/combustion/fireFoam/LES/smallPoolFire2D/constant/radiationProperties +++ b/tutorials/combustion/fireFoam/LES/smallPoolFire2D/constant/radiationProperties @@ -185,7 +185,7 @@ greyMeanCombustionCoeffs scatterModel none; -sootModel mixtureFraction; +sootModel none; // mixtureFraction; mixtureFractionCoeffs { diff --git a/tutorials/combustion/fireFoam/LES/smallPoolFire2D/constant/thermophysicalProperties b/tutorials/combustion/fireFoam/LES/smallPoolFire2D/constant/thermophysicalProperties index 8b4888340c..3fed4c53e9 100644 --- a/tutorials/combustion/fireFoam/LES/smallPoolFire2D/constant/thermophysicalProperties +++ b/tutorials/combustion/fireFoam/LES/smallPoolFire2D/constant/thermophysicalProperties @@ -18,7 +18,7 @@ FoamFile thermoType { type hePsiThermo; - mixture reactingMixture; + mixture multiComponentMixture; transport sutherland; thermo janaf; energy sensibleEnthalpy; diff --git a/tutorials/combustion/fireFoam/LES/smallPoolFire3D/constant/chemistryProperties b/tutorials/combustion/fireFoam/LES/smallPoolFire3D/constant/chemistryProperties deleted file mode 100644 index def0b18f06..0000000000 --- a/tutorials/combustion/fireFoam/LES/smallPoolFire3D/constant/chemistryProperties +++ /dev/null @@ -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; - - -// ************************************************************************* // diff --git a/tutorials/combustion/fireFoam/LES/smallPoolFire3D/constant/reactions b/tutorials/combustion/fireFoam/LES/smallPoolFire3D/constant/reactions index 65568ffb57..133def783b 100644 --- a/tutorials/combustion/fireFoam/LES/smallPoolFire3D/constant/reactions +++ b/tutorials/combustion/fireFoam/LES/smallPoolFire3D/constant/reactions @@ -15,15 +15,6 @@ FoamFile } // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // -species -( - O2 - H2O - CH4 - CO2 - N2 -); - reactions { propaneReaction @@ -33,5 +24,4 @@ reactions } } - // ************************************************************************* // diff --git a/tutorials/combustion/fireFoam/LES/smallPoolFire3D/constant/thermo.compressibleGas b/tutorials/combustion/fireFoam/LES/smallPoolFire3D/constant/thermo.compressibleGas index 8956a93d11..cb0a286c8a 100644 --- a/tutorials/combustion/fireFoam/LES/smallPoolFire3D/constant/thermo.compressibleGas +++ b/tutorials/combustion/fireFoam/LES/smallPoolFire3D/constant/thermo.compressibleGas @@ -15,6 +15,15 @@ FoamFile } // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // +species +( + O2 + H2O + CH4 + CO2 + N2 +); + O2 { specie diff --git a/tutorials/combustion/fireFoam/LES/smallPoolFire3D/constant/thermophysicalProperties b/tutorials/combustion/fireFoam/LES/smallPoolFire3D/constant/thermophysicalProperties index 8b4888340c..d42236bcd1 100644 --- a/tutorials/combustion/fireFoam/LES/smallPoolFire3D/constant/thermophysicalProperties +++ b/tutorials/combustion/fireFoam/LES/smallPoolFire3D/constant/thermophysicalProperties @@ -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" - - // ************************************************************************* // diff --git a/tutorials/combustion/reactingFoam/RAS/DLR_A_LTS/constant/chemistryProperties b/tutorials/combustion/reactingFoam/RAS/DLR_A_LTS/constant/chemistryProperties index 8bd9e64fb7..aefe04f482 100644 --- a/tutorials/combustion/reactingFoam/RAS/DLR_A_LTS/constant/chemistryProperties +++ b/tutorials/combustion/reactingFoam/RAS/DLR_A_LTS/constant/chemistryProperties @@ -140,5 +140,6 @@ tabulation variableTimeStep true; } +#include "reactionsGRI" // ************************************************************************* // diff --git a/tutorials/combustion/reactingFoam/RAS/DLR_A_LTS/constant/thermophysicalProperties b/tutorials/combustion/reactingFoam/RAS/DLR_A_LTS/constant/thermophysicalProperties index 21c61fca10..b689ee9664 100644 --- a/tutorials/combustion/reactingFoam/RAS/DLR_A_LTS/constant/thermophysicalProperties +++ b/tutorials/combustion/reactingFoam/RAS/DLR_A_LTS/constant/thermophysicalProperties @@ -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" // ************************************************************************* // diff --git a/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/chemistryProperties.orig b/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/chemistryProperties.orig index bd97da2e12..6dbc83239d 100644 --- a/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/chemistryProperties.orig +++ b/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/chemistryProperties.orig @@ -53,4 +53,6 @@ tabulation tolerance 3e-3; } +#include "reactionsGRI" + // ************************************************************************* // diff --git a/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/reactionsGRI b/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/reactionsGRI index 21511f515c..17e60dd822 100644 --- a/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/reactionsGRI +++ b/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/reactionsGRI @@ -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; diff --git a/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/thermo.compressibleGasGRI b/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/thermo.compressibleGasGRI index 392233e95d..4960555c42 100644 --- a/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/thermo.compressibleGasGRI +++ b/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/thermo.compressibleGasGRI @@ -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 diff --git a/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/thermophysicalProperties b/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/thermophysicalProperties index a257a3c633..8330b61360 100644 --- a/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/thermophysicalProperties +++ b/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/thermophysicalProperties @@ -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" // ************************************************************************* // diff --git a/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/system/controlDict b/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/system/controlDict index b6a216ac7b..b4c6e1a613 100644 --- a/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/system/controlDict +++ b/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/system/controlDict @@ -18,7 +18,7 @@ application reactingFoam; startFrom startTime; -startTime 10; +startTime 0; stopAt endTime; diff --git a/tutorials/combustion/reactingFoam/RAS/membrane/constant/thermophysicalProperties b/tutorials/combustion/reactingFoam/RAS/membrane/constant/thermophysicalProperties index a5f41e96e7..32a211e9ba 100644 --- a/tutorials/combustion/reactingFoam/RAS/membrane/constant/thermophysicalProperties +++ b/tutorials/combustion/reactingFoam/RAS/membrane/constant/thermophysicalProperties @@ -18,7 +18,7 @@ FoamFile thermoType { type hePsiThermo; - mixture reactingMixture; + mixture multiComponentMixture; transport sutherland; thermo janaf; energy sensibleEnthalpy; diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/chemistryProperties b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/chemistryProperties index 4acff792f6..2e75e3f464 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/chemistryProperties +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/chemistryProperties @@ -37,4 +37,6 @@ odeCoeffs relTol 0.01; } +#include "reactions" + // ************************************************************************* // diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/reactions b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/reactions index 7ea9582201..e7aff50ae8 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/reactions +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/reactions @@ -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 } } - // ************************************************************************* // diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/thermo.compressibleGas b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/thermo.compressibleGas index 88a877cd9c..328893a189 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/thermo.compressibleGas +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/thermo.compressibleGas @@ -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 { diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/thermophysicalProperties b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/thermophysicalProperties index a5f41e96e7..816e936a8d 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/thermophysicalProperties +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/thermophysicalProperties @@ -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" - // ************************************************************************* // diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS/constant/chemistryProperties b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS/constant/chemistryProperties index 4acff792f6..2e75e3f464 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS/constant/chemistryProperties +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS/constant/chemistryProperties @@ -37,4 +37,6 @@ odeCoeffs relTol 0.01; } +#include "reactions" + // ************************************************************************* // diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS/constant/reactions b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS/constant/reactions index 7ea9582201..e7aff50ae8 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS/constant/reactions +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS/constant/reactions @@ -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 } } - // ************************************************************************* // diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS/constant/thermo.compressibleGas b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS/constant/thermo.compressibleGas index 88a877cd9c..328893a189 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS/constant/thermo.compressibleGas +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS/constant/thermo.compressibleGas @@ -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 { diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS/constant/thermophysicalProperties b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS/constant/thermophysicalProperties index a5f41e96e7..816e936a8d 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS/constant/thermophysicalProperties +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS/constant/thermophysicalProperties @@ -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" - // ************************************************************************* // diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/chemistryProperties b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/chemistryProperties index 4547753567..ec23cb95fb 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/chemistryProperties +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/chemistryProperties @@ -45,4 +45,6 @@ tabulation tolerance 3e-3; } +#include "reactionsGRI" + // ************************************************************************* // diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/reactionsGRI b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/reactionsGRI index 694ea19b61..a79133d5f0 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/reactionsGRI +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/reactionsGRI @@ -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 diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermo.compressibleGasGRI b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermo.compressibleGasGRI index f709692e99..9557281ac6 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermo.compressibleGasGRI +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermo.compressibleGasGRI @@ -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 diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermophysicalProperties b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermophysicalProperties index b471ced23e..8330b61360 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermophysicalProperties +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermophysicalProperties @@ -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" - // ************************************************************************* // diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI/constant/chemistryProperties b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI/constant/chemistryProperties index dd0965703c..71a7822f41 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI/constant/chemistryProperties +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI/constant/chemistryProperties @@ -30,5 +30,6 @@ odeCoeffs relTol 0.1; } +#include "reactionsGRI" // ************************************************************************* // diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI/constant/reactionsGRI b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI/constant/reactionsGRI index 694ea19b61..a79133d5f0 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI/constant/reactionsGRI +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI/constant/reactionsGRI @@ -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 diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI/constant/thermo.compressibleGasGRI b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI/constant/thermo.compressibleGasGRI index f709692e99..9557281ac6 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI/constant/thermo.compressibleGasGRI +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI/constant/thermo.compressibleGasGRI @@ -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 diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI/constant/thermophysicalProperties b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI/constant/thermophysicalProperties index b471ced23e..8330b61360 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI/constant/thermophysicalProperties +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI/constant/thermophysicalProperties @@ -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" - // ************************************************************************* // diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/chemistryProperties b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/chemistryProperties index 4547753567..ec23cb95fb 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/chemistryProperties +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/chemistryProperties @@ -45,4 +45,6 @@ tabulation tolerance 3e-3; } +#include "reactionsGRI" + // ************************************************************************* // diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/reactionsGRI b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/reactionsGRI index 694ea19b61..a79133d5f0 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/reactionsGRI +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/reactionsGRI @@ -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 diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/thermo.compressibleGasGRI b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/thermo.compressibleGasGRI index f709692e99..9557281ac6 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/thermo.compressibleGasGRI +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/thermo.compressibleGasGRI @@ -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 diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/thermophysicalProperties b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/thermophysicalProperties index b471ced23e..8330b61360 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/thermophysicalProperties +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/thermophysicalProperties @@ -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" - // ************************************************************************* // diff --git a/tutorials/heatTransfer/chtMultiRegionFoam/reverseBurner/constant/gas/chemistryProperties b/tutorials/heatTransfer/chtMultiRegionFoam/reverseBurner/constant/gas/chemistryProperties index 088205ec3c..a4201405a5 100644 --- a/tutorials/heatTransfer/chtMultiRegionFoam/reverseBurner/constant/gas/chemistryProperties +++ b/tutorials/heatTransfer/chtMultiRegionFoam/reverseBurner/constant/gas/chemistryProperties @@ -36,5 +36,6 @@ EulerImplicitCoeffs equilibriumRateLimiter off; } +#include "reactions" // ************************************************************************* // diff --git a/tutorials/heatTransfer/chtMultiRegionFoam/reverseBurner/constant/gas/reactions b/tutorials/heatTransfer/chtMultiRegionFoam/reverseBurner/constant/gas/reactions index 5234f1e503..1e3b7944ff 100644 --- a/tutorials/heatTransfer/chtMultiRegionFoam/reverseBurner/constant/gas/reactions +++ b/tutorials/heatTransfer/chtMultiRegionFoam/reverseBurner/constant/gas/reactions @@ -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 } } - // ************************************************************************* // diff --git a/tutorials/heatTransfer/chtMultiRegionFoam/reverseBurner/constant/gas/thermo.compressibleGas b/tutorials/heatTransfer/chtMultiRegionFoam/reverseBurner/constant/gas/thermo.compressibleGas index a688b0220c..e07b9a98f5 100644 --- a/tutorials/heatTransfer/chtMultiRegionFoam/reverseBurner/constant/gas/thermo.compressibleGas +++ b/tutorials/heatTransfer/chtMultiRegionFoam/reverseBurner/constant/gas/thermo.compressibleGas @@ -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 { diff --git a/tutorials/heatTransfer/chtMultiRegionFoam/reverseBurner/constant/gas/thermophysicalProperties b/tutorials/heatTransfer/chtMultiRegionFoam/reverseBurner/constant/gas/thermophysicalProperties index 66b18b62dc..a3b6403128 100644 --- a/tutorials/heatTransfer/chtMultiRegionFoam/reverseBurner/constant/gas/thermophysicalProperties +++ b/tutorials/heatTransfer/chtMultiRegionFoam/reverseBurner/constant/gas/thermophysicalProperties @@ -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" // ************************************************************************* // diff --git a/tutorials/lagrangian/coalChemistryFoam/simplifiedSiwek/constant/chemistryProperties b/tutorials/lagrangian/coalChemistryFoam/simplifiedSiwek/constant/chemistryProperties index 7faec04f7e..c73670ef0d 100644 --- a/tutorials/lagrangian/coalChemistryFoam/simplifiedSiwek/constant/chemistryProperties +++ b/tutorials/lagrangian/coalChemistryFoam/simplifiedSiwek/constant/chemistryProperties @@ -37,5 +37,6 @@ odeCoeffs relTol 1e-1; } +#include "reactions" // ************************************************************************* // diff --git a/tutorials/lagrangian/coalChemistryFoam/simplifiedSiwek/constant/thermophysicalProperties b/tutorials/lagrangian/coalChemistryFoam/simplifiedSiwek/constant/thermophysicalProperties index 91a1f0ca5b..eb581adb9a 100644 --- a/tutorials/lagrangian/coalChemistryFoam/simplifiedSiwek/constant/thermophysicalProperties +++ b/tutorials/lagrangian/coalChemistryFoam/simplifiedSiwek/constant/thermophysicalProperties @@ -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 diff --git a/tutorials/lagrangian/reactingParcelFoam/counterFlowFlame2DLTS/constant/chemistryProperties b/tutorials/lagrangian/reactingParcelFoam/counterFlowFlame2DLTS/constant/chemistryProperties index 4acff792f6..2e75e3f464 100644 --- a/tutorials/lagrangian/reactingParcelFoam/counterFlowFlame2DLTS/constant/chemistryProperties +++ b/tutorials/lagrangian/reactingParcelFoam/counterFlowFlame2DLTS/constant/chemistryProperties @@ -37,4 +37,6 @@ odeCoeffs relTol 0.01; } +#include "reactions" + // ************************************************************************* // diff --git a/tutorials/lagrangian/reactingParcelFoam/counterFlowFlame2DLTS/constant/reactions b/tutorials/lagrangian/reactingParcelFoam/counterFlowFlame2DLTS/constant/reactions index 7ea9582201..e7aff50ae8 100644 --- a/tutorials/lagrangian/reactingParcelFoam/counterFlowFlame2DLTS/constant/reactions +++ b/tutorials/lagrangian/reactingParcelFoam/counterFlowFlame2DLTS/constant/reactions @@ -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 } } - // ************************************************************************* // diff --git a/tutorials/lagrangian/reactingParcelFoam/counterFlowFlame2DLTS/constant/thermo.compressibleGas b/tutorials/lagrangian/reactingParcelFoam/counterFlowFlame2DLTS/constant/thermo.compressibleGas index 88a877cd9c..328893a189 100644 --- a/tutorials/lagrangian/reactingParcelFoam/counterFlowFlame2DLTS/constant/thermo.compressibleGas +++ b/tutorials/lagrangian/reactingParcelFoam/counterFlowFlame2DLTS/constant/thermo.compressibleGas @@ -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 { diff --git a/tutorials/lagrangian/reactingParcelFoam/counterFlowFlame2DLTS/constant/thermophysicalProperties b/tutorials/lagrangian/reactingParcelFoam/counterFlowFlame2DLTS/constant/thermophysicalProperties index af9f91383b..e5fc4a91ad 100644 --- a/tutorials/lagrangian/reactingParcelFoam/counterFlowFlame2DLTS/constant/thermophysicalProperties +++ b/tutorials/lagrangian/reactingParcelFoam/counterFlowFlame2DLTS/constant/thermophysicalProperties @@ -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" - // ************************************************************************* // diff --git a/tutorials/lagrangian/reactingParcelFoam/cylinder/constant/chemistryProperties b/tutorials/lagrangian/reactingParcelFoam/cylinder/constant/chemistryProperties index def0b18f06..a7b8d6ebab 100644 --- a/tutorials/lagrangian/reactingParcelFoam/cylinder/constant/chemistryProperties +++ b/tutorials/lagrangian/reactingParcelFoam/cylinder/constant/chemistryProperties @@ -24,5 +24,6 @@ chemistry off; initialChemicalTimeStep 1e-07; +#include "reactions" // ************************************************************************* // diff --git a/tutorials/lagrangian/reactingParcelFoam/cylinder/constant/thermophysicalProperties b/tutorials/lagrangian/reactingParcelFoam/cylinder/constant/thermophysicalProperties index ab16a43916..52f895213e 100644 --- a/tutorials/lagrangian/reactingParcelFoam/cylinder/constant/thermophysicalProperties +++ b/tutorials/lagrangian/reactingParcelFoam/cylinder/constant/thermophysicalProperties @@ -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; diff --git a/tutorials/lagrangian/reactingParcelFoam/filter/constant/chemistryProperties b/tutorials/lagrangian/reactingParcelFoam/filter/constant/chemistryProperties index 1f0cb5b224..84c8b62d21 100644 --- a/tutorials/lagrangian/reactingParcelFoam/filter/constant/chemistryProperties +++ b/tutorials/lagrangian/reactingParcelFoam/filter/constant/chemistryProperties @@ -36,5 +36,6 @@ odeCoeffs eps 0.05; } +#include "reactions" // ************************************************************************* // diff --git a/tutorials/lagrangian/reactingParcelFoam/filter/constant/reactions b/tutorials/lagrangian/reactingParcelFoam/filter/constant/reactions index ea30c1bce4..008fe8e68f 100644 --- a/tutorials/lagrangian/reactingParcelFoam/filter/constant/reactions +++ b/tutorials/lagrangian/reactingParcelFoam/filter/constant/reactions @@ -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 {} - // ************************************************************************* // diff --git a/tutorials/lagrangian/reactingParcelFoam/filter/constant/thermo.incompressiblePoly b/tutorials/lagrangian/reactingParcelFoam/filter/constant/thermo.incompressiblePoly index 28b32ad7e3..e5a2df8618 100644 --- a/tutorials/lagrangian/reactingParcelFoam/filter/constant/thermo.incompressiblePoly +++ b/tutorials/lagrangian/reactingParcelFoam/filter/constant/thermo.incompressiblePoly @@ -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 { diff --git a/tutorials/lagrangian/reactingParcelFoam/filter/constant/thermophysicalProperties b/tutorials/lagrangian/reactingParcelFoam/filter/constant/thermophysicalProperties index ddbe4a4648..b0bacd971e 100644 --- a/tutorials/lagrangian/reactingParcelFoam/filter/constant/thermophysicalProperties +++ b/tutorials/lagrangian/reactingParcelFoam/filter/constant/thermophysicalProperties @@ -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 diff --git a/tutorials/lagrangian/reactingParcelFoam/hotBoxes/constant/chemistryProperties b/tutorials/lagrangian/reactingParcelFoam/hotBoxes/constant/chemistryProperties index def0b18f06..a7b8d6ebab 100644 --- a/tutorials/lagrangian/reactingParcelFoam/hotBoxes/constant/chemistryProperties +++ b/tutorials/lagrangian/reactingParcelFoam/hotBoxes/constant/chemistryProperties @@ -24,5 +24,6 @@ chemistry off; initialChemicalTimeStep 1e-07; +#include "reactions" // ************************************************************************* // diff --git a/tutorials/lagrangian/reactingParcelFoam/hotBoxes/constant/thermophysicalProperties b/tutorials/lagrangian/reactingParcelFoam/hotBoxes/constant/thermophysicalProperties index ab16a43916..52f895213e 100644 --- a/tutorials/lagrangian/reactingParcelFoam/hotBoxes/constant/thermophysicalProperties +++ b/tutorials/lagrangian/reactingParcelFoam/hotBoxes/constant/thermophysicalProperties @@ -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; diff --git a/tutorials/lagrangian/reactingParcelFoam/parcelInBox/constant/chemistryProperties b/tutorials/lagrangian/reactingParcelFoam/parcelInBox/constant/chemistryProperties index 1618e590e1..93ece335d7 100644 --- a/tutorials/lagrangian/reactingParcelFoam/parcelInBox/constant/chemistryProperties +++ b/tutorials/lagrangian/reactingParcelFoam/parcelInBox/constant/chemistryProperties @@ -24,4 +24,6 @@ chemistry off; initialChemicalTimeStep 1e-7; +#include "reactions" + // ************************************************************************* // diff --git a/tutorials/lagrangian/reactingParcelFoam/parcelInBox/constant/reactions b/tutorials/lagrangian/reactingParcelFoam/parcelInBox/constant/reactions index 5749aab001..008fe8e68f 100644 --- a/tutorials/lagrangian/reactingParcelFoam/parcelInBox/constant/reactions +++ b/tutorials/lagrangian/reactingParcelFoam/parcelInBox/constant/reactions @@ -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 {} - // ************************************************************************* // diff --git a/tutorials/lagrangian/reactingParcelFoam/parcelInBox/constant/thermo.incompressiblePoly b/tutorials/lagrangian/reactingParcelFoam/parcelInBox/constant/thermo.incompressiblePoly index 28b32ad7e3..672ddd05ea 100644 --- a/tutorials/lagrangian/reactingParcelFoam/parcelInBox/constant/thermo.incompressiblePoly +++ b/tutorials/lagrangian/reactingParcelFoam/parcelInBox/constant/thermo.incompressiblePoly @@ -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 { diff --git a/tutorials/lagrangian/reactingParcelFoam/parcelInBox/constant/thermophysicalProperties b/tutorials/lagrangian/reactingParcelFoam/parcelInBox/constant/thermophysicalProperties index 65e859de30..f712ea655a 100644 --- a/tutorials/lagrangian/reactingParcelFoam/parcelInBox/constant/thermophysicalProperties +++ b/tutorials/lagrangian/reactingParcelFoam/parcelInBox/constant/thermophysicalProperties @@ -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; diff --git a/tutorials/lagrangian/reactingParcelFoam/rivuletPanel/constant/chemistryProperties b/tutorials/lagrangian/reactingParcelFoam/rivuletPanel/constant/chemistryProperties index def0b18f06..a7b8d6ebab 100644 --- a/tutorials/lagrangian/reactingParcelFoam/rivuletPanel/constant/chemistryProperties +++ b/tutorials/lagrangian/reactingParcelFoam/rivuletPanel/constant/chemistryProperties @@ -24,5 +24,6 @@ chemistry off; initialChemicalTimeStep 1e-07; +#include "reactions" // ************************************************************************* // diff --git a/tutorials/lagrangian/reactingParcelFoam/rivuletPanel/constant/thermophysicalProperties b/tutorials/lagrangian/reactingParcelFoam/rivuletPanel/constant/thermophysicalProperties index ab16a43916..52f895213e 100644 --- a/tutorials/lagrangian/reactingParcelFoam/rivuletPanel/constant/thermophysicalProperties +++ b/tutorials/lagrangian/reactingParcelFoam/rivuletPanel/constant/thermophysicalProperties @@ -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; diff --git a/tutorials/lagrangian/reactingParcelFoam/splashPanel/constant/chemistryProperties b/tutorials/lagrangian/reactingParcelFoam/splashPanel/constant/chemistryProperties index def0b18f06..a7b8d6ebab 100644 --- a/tutorials/lagrangian/reactingParcelFoam/splashPanel/constant/chemistryProperties +++ b/tutorials/lagrangian/reactingParcelFoam/splashPanel/constant/chemistryProperties @@ -24,5 +24,6 @@ chemistry off; initialChemicalTimeStep 1e-07; +#include "reactions" // ************************************************************************* // diff --git a/tutorials/lagrangian/reactingParcelFoam/splashPanel/constant/thermophysicalProperties b/tutorials/lagrangian/reactingParcelFoam/splashPanel/constant/thermophysicalProperties index ab16a43916..52f895213e 100644 --- a/tutorials/lagrangian/reactingParcelFoam/splashPanel/constant/thermophysicalProperties +++ b/tutorials/lagrangian/reactingParcelFoam/splashPanel/constant/thermophysicalProperties @@ -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; diff --git a/tutorials/lagrangian/reactingParcelFoam/verticalChannel/constant/chemistryProperties b/tutorials/lagrangian/reactingParcelFoam/verticalChannel/constant/chemistryProperties index 1f0cb5b224..84c8b62d21 100644 --- a/tutorials/lagrangian/reactingParcelFoam/verticalChannel/constant/chemistryProperties +++ b/tutorials/lagrangian/reactingParcelFoam/verticalChannel/constant/chemistryProperties @@ -36,5 +36,6 @@ odeCoeffs eps 0.05; } +#include "reactions" // ************************************************************************* // diff --git a/tutorials/lagrangian/reactingParcelFoam/verticalChannel/constant/reactions b/tutorials/lagrangian/reactingParcelFoam/verticalChannel/constant/reactions index 5749aab001..008fe8e68f 100644 --- a/tutorials/lagrangian/reactingParcelFoam/verticalChannel/constant/reactions +++ b/tutorials/lagrangian/reactingParcelFoam/verticalChannel/constant/reactions @@ -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 {} - // ************************************************************************* // diff --git a/tutorials/lagrangian/reactingParcelFoam/verticalChannel/constant/thermo.incompressiblePoly b/tutorials/lagrangian/reactingParcelFoam/verticalChannel/constant/thermo.incompressiblePoly index b083ccf2cf..9422e90727 100644 --- a/tutorials/lagrangian/reactingParcelFoam/verticalChannel/constant/thermo.incompressiblePoly +++ b/tutorials/lagrangian/reactingParcelFoam/verticalChannel/constant/thermo.incompressiblePoly @@ -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 { diff --git a/tutorials/lagrangian/reactingParcelFoam/verticalChannel/constant/thermophysicalProperties b/tutorials/lagrangian/reactingParcelFoam/verticalChannel/constant/thermophysicalProperties index 65e859de30..f712ea655a 100644 --- a/tutorials/lagrangian/reactingParcelFoam/verticalChannel/constant/thermophysicalProperties +++ b/tutorials/lagrangian/reactingParcelFoam/verticalChannel/constant/thermophysicalProperties @@ -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; diff --git a/tutorials/lagrangian/reactingParcelFoam/verticalChannelLTS/constant/chemistryProperties b/tutorials/lagrangian/reactingParcelFoam/verticalChannelLTS/constant/chemistryProperties index 4002c7554f..09bd01245b 100644 --- a/tutorials/lagrangian/reactingParcelFoam/verticalChannelLTS/constant/chemistryProperties +++ b/tutorials/lagrangian/reactingParcelFoam/verticalChannelLTS/constant/chemistryProperties @@ -24,5 +24,6 @@ chemistry off; initialChemicalTimeStep 1e-07; // NOT USED +#include "reactions" // ************************************************************************* // diff --git a/tutorials/lagrangian/reactingParcelFoam/verticalChannelLTS/constant/reactions b/tutorials/lagrangian/reactingParcelFoam/verticalChannelLTS/constant/reactions index 5749aab001..008fe8e68f 100644 --- a/tutorials/lagrangian/reactingParcelFoam/verticalChannelLTS/constant/reactions +++ b/tutorials/lagrangian/reactingParcelFoam/verticalChannelLTS/constant/reactions @@ -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 {} - // ************************************************************************* // diff --git a/tutorials/lagrangian/reactingParcelFoam/verticalChannelLTS/constant/thermo.incompressiblePoly b/tutorials/lagrangian/reactingParcelFoam/verticalChannelLTS/constant/thermo.incompressiblePoly index b083ccf2cf..9422e90727 100644 --- a/tutorials/lagrangian/reactingParcelFoam/verticalChannelLTS/constant/thermo.incompressiblePoly +++ b/tutorials/lagrangian/reactingParcelFoam/verticalChannelLTS/constant/thermo.incompressiblePoly @@ -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 { diff --git a/tutorials/lagrangian/reactingParcelFoam/verticalChannelLTS/constant/thermophysicalProperties b/tutorials/lagrangian/reactingParcelFoam/verticalChannelLTS/constant/thermophysicalProperties index 65e859de30..f712ea655a 100644 --- a/tutorials/lagrangian/reactingParcelFoam/verticalChannelLTS/constant/thermophysicalProperties +++ b/tutorials/lagrangian/reactingParcelFoam/verticalChannelLTS/constant/thermophysicalProperties @@ -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; diff --git a/tutorials/lagrangian/simpleReactingParcelFoam/verticalChannel/constant/chemistryProperties b/tutorials/lagrangian/simpleReactingParcelFoam/verticalChannel/constant/chemistryProperties index 4002c7554f..09bd01245b 100644 --- a/tutorials/lagrangian/simpleReactingParcelFoam/verticalChannel/constant/chemistryProperties +++ b/tutorials/lagrangian/simpleReactingParcelFoam/verticalChannel/constant/chemistryProperties @@ -24,5 +24,6 @@ chemistry off; initialChemicalTimeStep 1e-07; // NOT USED +#include "reactions" // ************************************************************************* // diff --git a/tutorials/lagrangian/simpleReactingParcelFoam/verticalChannel/constant/reactions b/tutorials/lagrangian/simpleReactingParcelFoam/verticalChannel/constant/reactions index 5749aab001..008fe8e68f 100644 --- a/tutorials/lagrangian/simpleReactingParcelFoam/verticalChannel/constant/reactions +++ b/tutorials/lagrangian/simpleReactingParcelFoam/verticalChannel/constant/reactions @@ -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 {} - // ************************************************************************* // diff --git a/tutorials/lagrangian/simpleReactingParcelFoam/verticalChannel/constant/thermo.incompressiblePoly b/tutorials/lagrangian/simpleReactingParcelFoam/verticalChannel/constant/thermo.incompressiblePoly index b083ccf2cf..9422e90727 100644 --- a/tutorials/lagrangian/simpleReactingParcelFoam/verticalChannel/constant/thermo.incompressiblePoly +++ b/tutorials/lagrangian/simpleReactingParcelFoam/verticalChannel/constant/thermo.incompressiblePoly @@ -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 { diff --git a/tutorials/lagrangian/simpleReactingParcelFoam/verticalChannel/constant/thermophysicalProperties b/tutorials/lagrangian/simpleReactingParcelFoam/verticalChannel/constant/thermophysicalProperties index bcbc2b6dc4..f0aaa95234 100644 --- a/tutorials/lagrangian/simpleReactingParcelFoam/verticalChannel/constant/thermophysicalProperties +++ b/tutorials/lagrangian/simpleReactingParcelFoam/verticalChannel/constant/thermophysicalProperties @@ -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; diff --git a/tutorials/lagrangian/sprayFoam/aachenBomb/constant/chemistryProperties b/tutorials/lagrangian/sprayFoam/aachenBomb/constant/chemistryProperties index 9e475cc16c..5df621acad 100644 --- a/tutorials/lagrangian/sprayFoam/aachenBomb/constant/chemistryProperties +++ b/tutorials/lagrangian/sprayFoam/aachenBomb/constant/chemistryProperties @@ -30,5 +30,6 @@ odeCoeffs eps 0.05; } +#include "reactions" // ************************************************************************* // diff --git a/tutorials/lagrangian/sprayFoam/aachenBomb/constant/thermophysicalProperties b/tutorials/lagrangian/sprayFoam/aachenBomb/constant/thermophysicalProperties index a755c8d6ab..addb3dd773 100644 --- a/tutorials/lagrangian/sprayFoam/aachenBomb/constant/thermophysicalProperties +++ b/tutorials/lagrangian/sprayFoam/aachenBomb/constant/thermophysicalProperties @@ -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" - // ************************************************************************* // diff --git a/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumnEvaporatingReacting/constant/chemistryProperties.gas b/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumnEvaporatingReacting/constant/chemistryProperties.gas index 8aaaeb6539..b504cf02d3 100644 --- a/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumnEvaporatingReacting/constant/chemistryProperties.gas +++ b/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumnEvaporatingReacting/constant/chemistryProperties.gas @@ -37,4 +37,6 @@ odeCoeffs relTol 0.01; } +#include "reactions.gas" + // ************************************************************************* // diff --git a/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumnEvaporatingReacting/constant/reactions.gas b/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumnEvaporatingReacting/constant/reactions.gas index a99cb12d88..6572121472 100644 --- a/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumnEvaporatingReacting/constant/reactions.gas +++ b/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumnEvaporatingReacting/constant/reactions.gas @@ -1,12 +1,3 @@ -species -( - CO - CO2 - H2 - H2O - AIR -); - reactions { waterGasShift diff --git a/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumnEvaporatingReacting/constant/thermo.gas b/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumnEvaporatingReacting/constant/thermo.gas index 5a836c21d1..e558ad4bd1 100644 --- a/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumnEvaporatingReacting/constant/thermo.gas +++ b/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumnEvaporatingReacting/constant/thermo.gas @@ -1,3 +1,12 @@ +species +( + CO + CO2 + H2 + H2O + AIR +); + CO { specie diff --git a/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumnEvaporatingReacting/constant/thermophysicalProperties.gas b/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumnEvaporatingReacting/constant/thermophysicalProperties.gas index 2cdfdd6b84..18a1db6b89 100644 --- a/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumnEvaporatingReacting/constant/thermophysicalProperties.gas +++ b/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumnEvaporatingReacting/constant/thermophysicalProperties.gas @@ -18,7 +18,7 @@ FoamFile thermoType { type heRhoThermo; - mixture reactingMixture; + mixture multiComponentMixture; transport sutherland; thermo janaf; equationOfState perfectGas; @@ -29,6 +29,5 @@ thermoType inertSpecie AIR; #include "thermo.gas" -#include "reactions.gas" // ************************************************************************* //