From 4baf73b54dbf4cdf0aa983a89ecefe4ddd7b3c42 Mon Sep 17 00:00:00 2001 From: Henry Weller Date: Fri, 2 Aug 2019 14:47:37 +0100 Subject: [PATCH] reactingMixture: use the foamChemistryReader directly rather than chemistryReader::New This formalises the flexible and extensible OpenFOAM thermodynamics and reaction format as the direct input to OpenFOAM solvers. The CHEMKIN format is still supported by first converting to the OpenFOAM format using the chemkinToFoam utility. --- .../thermophysical/chemkinToFoam/Make/files | 3 +- .../thermophysical/chemkinToFoam/Make/options | 1 + .../chemkinReader/chemkinLexer.L | 0 .../chemkinReader/chemkinReader.C | 8 - .../chemkinReader/chemkinReader.H | 9 +- .../reactionThermo/Make/files | 4 - .../chemistryReader/chemistryReader.C | 67 ------- .../chemistryReader/chemistryReader.H | 173 ------------------ .../chemistryReader/makeChemistryReaders.C | 104 ----------- .../foamChemistryReader/foamChemistryReader.C | 4 +- .../foamChemistryReader/foamChemistryReader.H | 17 +- .../reactingMixture/reactingMixture.C | 13 +- .../reactingMixture/reactingMixture.H | 4 +- .../gri/constant/thermophysicalProperties | 1 - tutorials/combustion/chemFoam/h2/Allclean | 4 +- tutorials/combustion/chemFoam/h2/Allrun | 4 + .../h2/constant/thermophysicalProperties | 5 +- tutorials/combustion/chemFoam/ic8h18/Allclean | 4 +- tutorials/combustion/chemFoam/ic8h18/Allrun | 4 + .../ic8h18/constant/thermophysicalProperties | 5 +- .../combustion/chemFoam/ic8h18_TDAC/Allclean | 3 +- .../combustion/chemFoam/ic8h18_TDAC/Allrun | 4 + .../constant/thermophysicalProperties | 5 +- tutorials/combustion/chemFoam/nc7h16/Allclean | 4 +- tutorials/combustion/chemFoam/nc7h16/Allrun | 4 + .../nc7h16/constant/thermophysicalProperties | 5 +- .../constant/thermophysicalProperties | 1 - .../pyrolysisRegion/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../panelRegion/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../constant/gas/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../filter/constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../lagrangian/sprayFoam/aachenBomb/Allclean | 11 ++ .../lagrangian/sprayFoam/aachenBomb/Allrun | 17 ++ .../constant/thermophysicalProperties | 5 +- .../constant/thermophysicalProperties.gas | 1 - 57 files changed, 82 insertions(+), 438 deletions(-) rename {src/thermophysicalModels/reactionThermo/chemistryReaders => applications/utilities/thermophysical/chemkinToFoam}/chemkinReader/chemkinLexer.L (100%) rename {src/thermophysicalModels/reactionThermo/chemistryReaders => applications/utilities/thermophysical/chemkinToFoam}/chemkinReader/chemkinReader.C (99%) rename {src/thermophysicalModels/reactionThermo/chemistryReaders => applications/utilities/thermophysical/chemkinToFoam}/chemkinReader/chemkinReader.H (98%) delete mode 100644 src/thermophysicalModels/reactionThermo/chemistryReaders/chemistryReader/chemistryReader.C delete mode 100644 src/thermophysicalModels/reactionThermo/chemistryReaders/chemistryReader/chemistryReader.H delete mode 100644 src/thermophysicalModels/reactionThermo/chemistryReaders/chemistryReader/makeChemistryReaders.C rename src/thermophysicalModels/reactionThermo/{chemistryReaders => mixtures/reactingMixture}/foamChemistryReader/foamChemistryReader.C (97%) rename src/thermophysicalModels/reactionThermo/{chemistryReaders => mixtures/reactingMixture}/foamChemistryReader/foamChemistryReader.H (94%) create mode 100755 tutorials/lagrangian/sprayFoam/aachenBomb/Allclean create mode 100755 tutorials/lagrangian/sprayFoam/aachenBomb/Allrun diff --git a/applications/utilities/thermophysical/chemkinToFoam/Make/files b/applications/utilities/thermophysical/chemkinToFoam/Make/files index bfa4ab6f4b..3defed5e2c 100644 --- a/applications/utilities/thermophysical/chemkinToFoam/Make/files +++ b/applications/utilities/thermophysical/chemkinToFoam/Make/files @@ -1,4 +1,5 @@ - +chemkinReader/chemkinReader.C +chemkinReader/chemkinLexer.L chemkinToFoam.C EXE = $(FOAM_APPBIN)/chemkinToFoam diff --git a/applications/utilities/thermophysical/chemkinToFoam/Make/options b/applications/utilities/thermophysical/chemkinToFoam/Make/options index f274487229..0a515169eb 100644 --- a/applications/utilities/thermophysical/chemkinToFoam/Make/options +++ b/applications/utilities/thermophysical/chemkinToFoam/Make/options @@ -1,4 +1,5 @@ EXE_INC = \ + -IchemkinReader \ -I$(LIB_SRC)/thermophysicalModels/specie/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude diff --git a/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinLexer.L b/applications/utilities/thermophysical/chemkinToFoam/chemkinReader/chemkinLexer.L similarity index 100% rename from src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinLexer.L rename to applications/utilities/thermophysical/chemkinToFoam/chemkinReader/chemkinLexer.L diff --git a/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinReader.C b/applications/utilities/thermophysical/chemkinToFoam/chemkinReader/chemkinReader.C similarity index 99% rename from src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinReader.C rename to applications/utilities/thermophysical/chemkinToFoam/chemkinReader/chemkinReader.C index 27bffe3d97..7b22428935 100644 --- a/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinReader.C +++ b/applications/utilities/thermophysical/chemkinToFoam/chemkinReader/chemkinReader.C @@ -43,14 +43,6 @@ License #include "addToRunTimeSelectionTable.H" -/* * * * * * * * * * * * * * * * * Static data * * * * * * * * * * * * * * * */ - -namespace Foam -{ - addChemistryReaderType(chemkinReader, gasHThermoPhysics); -} - - /* * * * * * * * * * * * * * Private Member Functions * * * * * * * * * * * */ const char* Foam::chemkinReader::reactionTypeNames[4] = diff --git a/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinReader.H b/applications/utilities/thermophysical/chemkinToFoam/chemkinReader/chemkinReader.H similarity index 98% rename from src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinReader.H rename to applications/utilities/thermophysical/chemkinToFoam/chemkinReader/chemkinReader.H index bae398d70e..e30e881c9b 100644 --- a/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinReader.H +++ b/applications/utilities/thermophysical/chemkinToFoam/chemkinReader/chemkinReader.H @@ -36,7 +36,6 @@ SourceFiles #ifndef chemkinReader_H #define chemkinReader_H -#include "chemistryReader.H" #include "fileName.H" #include "typeInfo.H" #include "Switch.H" @@ -45,6 +44,7 @@ SourceFiles #include "DynamicList.H" #include "labelList.H" #include "speciesTable.H" +#include "specieElement.H" #include "atomicWeights.H" #include "reactionTypes.H" @@ -55,13 +55,14 @@ SourceFiles namespace Foam { +typedef HashTable> speciesCompositionTable; + /*---------------------------------------------------------------------------*\ Class chemkinReader Declaration \*---------------------------------------------------------------------------*/ class chemkinReader : - public chemistryReader, public yyFlexLexer { @@ -290,10 +291,6 @@ private: public: - //- Runtime type information - TypeName("chemkinReader"); - - // Constructors //- Construct from CHEMKIN III file name diff --git a/src/thermophysicalModels/reactionThermo/Make/files b/src/thermophysicalModels/reactionThermo/Make/files index 8870103dfe..9effbea6e6 100644 --- a/src/thermophysicalModels/reactionThermo/Make/files +++ b/src/thermophysicalModels/reactionThermo/Make/files @@ -1,7 +1,3 @@ -chemistryReaders/chemkinReader/chemkinReader.C -chemistryReaders/chemkinReader/chemkinLexer.L -chemistryReaders/chemistryReader/makeChemistryReaders.C - mixtures/basicMultiComponentMixture/basicMultiComponentMixture.C mixtures/basicSpecieMixture/basicSpecieMixture.C mixtures/basicCombustionMixture/basicCombustionMixture.C diff --git a/src/thermophysicalModels/reactionThermo/chemistryReaders/chemistryReader/chemistryReader.C b/src/thermophysicalModels/reactionThermo/chemistryReaders/chemistryReader/chemistryReader.C deleted file mode 100644 index ee41657bf1..0000000000 --- a/src/thermophysicalModels/reactionThermo/chemistryReaders/chemistryReader/chemistryReader.C +++ /dev/null @@ -1,67 +0,0 @@ -/*---------------------------------------------------------------------------*\ - ========= | - \\ / F ield | OpenFOAM: The Open Source CFD Toolbox - \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2011-2018 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 "chemistryReader.H" - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -template -Foam::autoPtr> -Foam::chemistryReader::New -( - const dictionary& thermoDict, - speciesTable& species -) -{ - // Let the chemistry reader type default to CHEMKIN - // for backward compatibility - word chemistryReaderTypeName("chemkinReader"); - - // otherwise use the specified reader - thermoDict.readIfPresent("chemistryReader", chemistryReaderTypeName); - - Info<< "Selecting chemistryReader " << chemistryReaderTypeName << endl; - - typename dictionaryConstructorTable::iterator cstrIter = - dictionaryConstructorTablePtr_->find(chemistryReaderTypeName); - - if (cstrIter == dictionaryConstructorTablePtr_->end()) - { - FatalErrorInFunction - << "Unknown chemistryReader type " - << chemistryReaderTypeName << nl << nl - << "Valid chemistryReader types are:" << nl - << dictionaryConstructorTablePtr_->sortedToc() - << exit(FatalError); - } - - return autoPtr> - ( - cstrIter()(thermoDict, species) - ); -} - - -// ************************************************************************* // diff --git a/src/thermophysicalModels/reactionThermo/chemistryReaders/chemistryReader/chemistryReader.H b/src/thermophysicalModels/reactionThermo/chemistryReaders/chemistryReader/chemistryReader.H deleted file mode 100644 index dfa88aa053..0000000000 --- a/src/thermophysicalModels/reactionThermo/chemistryReaders/chemistryReader/chemistryReader.H +++ /dev/null @@ -1,173 +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::chemistryReader - -Description - Abstract class for reading chemistry - -SourceFiles - chemistryReader.C - -\*---------------------------------------------------------------------------*/ - -#ifndef chemistryReader_H -#define chemistryReader_H - -#include "typeInfo.H" -#include "specieElement.H" -#include "Reaction.H" -#include "ReactionList.H" -#include "runTimeSelectionTables.H" - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -namespace Foam -{ - -typedef HashTable> speciesCompositionTable; - - -/*---------------------------------------------------------------------------*\ - Class chemistryReader Declaration -\*---------------------------------------------------------------------------*/ - -template -class chemistryReader -{ -public: - - //- Runtime type information - TypeName("chemistryReader"); - - //- The type of thermo package the reader was instantiated for - typedef ThermoType thermoType; - - - // Constructors - - //- Construct null - chemistryReader() - {} - - //- Disallow default bitwise copy construction - chemistryReader(const chemistryReader&) = delete; - - - // Declare run-time constructor selection table - - declareRunTimeSelectionTable - ( - autoPtr, - chemistryReader, - dictionary, - ( - const dictionary& thermoDict, - speciesTable& species - ), - (thermoDict, species) - ); - - - // Selectors - - //- Select constructed from dictionary - static autoPtr New - ( - const dictionary& thermoDict, - speciesTable& species - ); - - - //- Destructor - virtual ~chemistryReader() - {} - - - // Member Functions - - //- Return access to the list of species - virtual const speciesTable& species() const = 0; - - //- Table of species composition - virtual const speciesCompositionTable& specieComposition() const = 0; - - //- Return access to the thermo packages - virtual const HashPtrTable& speciesThermo() const = 0; - - //- Return access to the list of reactions - virtual const ReactionList& reactions() const = 0; - - - // Member Operators - - //- Disallow default bitwise assignment - void operator=(const chemistryReader&) = delete; -}; - - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -} // End namespace Foam - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -#ifdef NoRepository - #include "chemistryReader.C" -#endif - - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - -#define makeChemistryReader(Thermo) \ - defineTemplateTypeNameAndDebug(chemistryReader, 0); \ - defineTemplateRunTimeSelectionTable(chemistryReader, dictionary) - - -#define makeChemistryReaderType(Reader, Thermo) \ - defineNamedTemplateTypeNameAndDebug(Reader, 0); \ - chemistryReader::adddictionaryConstructorToTable> \ - add##Reader##Thermo##ConstructorToTable_ - - -// for non-templated chemistry readers -#define addChemistryReaderType(Reader, Thermo) \ - defineTypeNameAndDebug(Reader, 0); \ - chemistryReader::adddictionaryConstructorToTable \ - add##Reader##Thermo##ConstructorToTable_ - - -// for templated chemistry readers -#define addTemplateChemistryReaderType(Reader, Thermo) \ - defineNamedTemplateTypeNameAndDebug(Reader, 0); \ - chemistryReader::adddictionaryConstructorToTable \ - add##Reader##Thermo##ConstructorToTable_ - - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -#endif - -// ************************************************************************* // diff --git a/src/thermophysicalModels/reactionThermo/chemistryReaders/chemistryReader/makeChemistryReaders.C b/src/thermophysicalModels/reactionThermo/chemistryReaders/chemistryReader/makeChemistryReaders.C deleted file mode 100644 index 7e2cdf7e7c..0000000000 --- a/src/thermophysicalModels/reactionThermo/chemistryReaders/chemistryReader/makeChemistryReaders.C +++ /dev/null @@ -1,104 +0,0 @@ -/*---------------------------------------------------------------------------*\ - ========= | - \\ / F ield | OpenFOAM: The Open Source CFD Toolbox - \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2011-2018 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 "makeReactionThermo.H" -#include "thermoPhysicsTypes.H" -#include "solidThermoPhysicsTypes.H" - -#include "chemistryReader.H" -#include "foamChemistryReader.H" - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -namespace Foam -{ - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -// Solid chemistry readers based on sensibleEnthalpy - -makeChemistryReader(constGasHThermoPhysics); -makeChemistryReader(gasHThermoPhysics); -makeChemistryReader(constIncompressibleGasHThermoPhysics); -makeChemistryReader(incompressibleGasHThermoPhysics); -makeChemistryReader(icoPoly8HThermoPhysics); -makeChemistryReader(constFluidHThermoPhysics); -makeChemistryReader(constAdiabaticFluidHThermoPhysics); -makeChemistryReader(constHThermoPhysics); - -makeChemistryReaderType(foamChemistryReader, constGasHThermoPhysics); -makeChemistryReaderType(foamChemistryReader, gasHThermoPhysics); -makeChemistryReaderType -( - foamChemistryReader, - constIncompressibleGasHThermoPhysics -); -makeChemistryReaderType(foamChemistryReader, incompressibleGasHThermoPhysics); -makeChemistryReaderType(foamChemistryReader, icoPoly8HThermoPhysics); -makeChemistryReaderType(foamChemistryReader, constFluidHThermoPhysics); -makeChemistryReaderType(foamChemistryReader, constAdiabaticFluidHThermoPhysics); -makeChemistryReaderType(foamChemistryReader, constHThermoPhysics); - - -// Solid chemistry readers based on sensibleInternalEnergy - -makeChemistryReader(constGasEThermoPhysics); -makeChemistryReader(gasEThermoPhysics); -makeChemistryReader(constIncompressibleGasEThermoPhysics); -makeChemistryReader(incompressibleGasEThermoPhysics); -makeChemistryReader(icoPoly8EThermoPhysics); -makeChemistryReader(constFluidEThermoPhysics); -makeChemistryReader(constAdiabaticFluidEThermoPhysics); -makeChemistryReader(constEThermoPhysics); - -makeChemistryReaderType(foamChemistryReader, constGasEThermoPhysics); -makeChemistryReaderType(foamChemistryReader, gasEThermoPhysics); -makeChemistryReaderType -( - foamChemistryReader, - constIncompressibleGasEThermoPhysics -); -makeChemistryReaderType(foamChemistryReader, incompressibleGasEThermoPhysics); -makeChemistryReaderType(foamChemistryReader, icoPoly8EThermoPhysics); -makeChemistryReaderType(foamChemistryReader, constFluidEThermoPhysics); -makeChemistryReaderType(foamChemistryReader, constAdiabaticFluidEThermoPhysics); -makeChemistryReaderType(foamChemistryReader, constEThermoPhysics); - - -// Solid chemistry readers for solids based on sensibleInternalEnergy - -makeChemistryReader(hConstSolidThermoPhysics); -makeChemistryReader(hPowerSolidThermoPhysics); -makeChemistryReader(hExpKappaConstSolidThermoPhysics); - -makeChemistryReaderType(foamChemistryReader, hConstSolidThermoPhysics); -makeChemistryReaderType(foamChemistryReader, hPowerSolidThermoPhysics); -makeChemistryReaderType(foamChemistryReader, hExpKappaConstSolidThermoPhysics); - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -} // End namespace Foam - -// ************************************************************************* // diff --git a/src/thermophysicalModels/reactionThermo/chemistryReaders/foamChemistryReader/foamChemistryReader.C b/src/thermophysicalModels/reactionThermo/mixtures/reactingMixture/foamChemistryReader/foamChemistryReader.C similarity index 97% rename from src/thermophysicalModels/reactionThermo/chemistryReaders/foamChemistryReader/foamChemistryReader.C rename to src/thermophysicalModels/reactionThermo/mixtures/reactingMixture/foamChemistryReader/foamChemistryReader.C index e27606ff4f..328dbb9a43 100644 --- a/src/thermophysicalModels/reactionThermo/chemistryReaders/foamChemistryReader/foamChemistryReader.C +++ b/src/thermophysicalModels/reactionThermo/mixtures/reactingMixture/foamChemistryReader/foamChemistryReader.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 @@ -131,7 +131,6 @@ Foam::foamChemistryReader::foamChemistryReader const fileName& thermoFileName ) : - chemistryReader(), chemDict_ ( IFstream @@ -161,7 +160,6 @@ Foam::foamChemistryReader::foamChemistryReader speciesTable& species ) : - chemistryReader(), chemDict_ ( IFstream diff --git a/src/thermophysicalModels/reactionThermo/chemistryReaders/foamChemistryReader/foamChemistryReader.H b/src/thermophysicalModels/reactionThermo/mixtures/reactingMixture/foamChemistryReader/foamChemistryReader.H similarity index 94% rename from src/thermophysicalModels/reactionThermo/chemistryReaders/foamChemistryReader/foamChemistryReader.H rename to src/thermophysicalModels/reactionThermo/mixtures/reactingMixture/foamChemistryReader/foamChemistryReader.H index 310cc5e682..9a6fd5c00f 100644 --- a/src/thermophysicalModels/reactionThermo/chemistryReaders/foamChemistryReader/foamChemistryReader.H +++ b/src/thermophysicalModels/reactionThermo/mixtures/reactingMixture/foamChemistryReader/foamChemistryReader.H @@ -35,27 +35,22 @@ SourceFiles #ifndef foamChemistryReader_H #define foamChemistryReader_H -#include "chemistryReader.H" -#include "fileName.H" -#include "typeInfo.H" -#include "HashPtrTable.H" -#include "labelList.H" -#include "speciesTable.H" -#include "atomicWeights.H" +#include "specieElement.H" +#include "ReactionList.H" // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // namespace Foam { +typedef HashTable> speciesCompositionTable; + /*---------------------------------------------------------------------------*\ Class foamChemistry Declaration \*---------------------------------------------------------------------------*/ template class foamChemistryReader -: - public chemistryReader { //- Chemistry/reactions dictionary dictionary chemDict_; @@ -93,10 +88,6 @@ class foamChemistryReader public: - //- Runtime type information - TypeName("foamChemistryReader"); - - // Constructors //- Construct from foamChemistry and thermodynamics file names diff --git a/src/thermophysicalModels/reactionThermo/mixtures/reactingMixture/reactingMixture.C b/src/thermophysicalModels/reactionThermo/mixtures/reactingMixture/reactingMixture.C index 800e22806d..0c05eed2e8 100644 --- a/src/thermophysicalModels/reactionThermo/mixtures/reactingMixture/reactingMixture.C +++ b/src/thermophysicalModels/reactionThermo/mixtures/reactingMixture/reactingMixture.C @@ -37,28 +37,29 @@ Foam::reactingMixture::reactingMixture ) : speciesTable(), - autoPtr> + autoPtr> ( - chemistryReader::New(thermoDict, *this) + new foamChemistryReader(thermoDict, *this) ), multiComponentMixture ( thermoDict, *this, - autoPtr>::operator()().speciesThermo(), + autoPtr>::operator()().speciesThermo(), mesh, phaseName ), reactions_ ( - autoPtr>::operator()().reactions() + autoPtr>::operator()().reactions() ), speciesComposition_ ( - autoPtr>::operator()().specieComposition() + autoPtr>:: + operator()().specieComposition() ) { - autoPtr>::clear(); + autoPtr>::clear(); } diff --git a/src/thermophysicalModels/reactionThermo/mixtures/reactingMixture/reactingMixture.H b/src/thermophysicalModels/reactionThermo/mixtures/reactingMixture/reactingMixture.H index c0fd4512f8..577ee7e17a 100644 --- a/src/thermophysicalModels/reactionThermo/mixtures/reactingMixture/reactingMixture.H +++ b/src/thermophysicalModels/reactionThermo/mixtures/reactingMixture/reactingMixture.H @@ -36,7 +36,7 @@ SourceFiles #define reactingMixture_H #include "speciesTable.H" -#include "chemistryReader.H" +#include "foamChemistryReader.H" #include "multiComponentMixture.H" // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // @@ -52,7 +52,7 @@ template class reactingMixture : public speciesTable, - public autoPtr>, + public autoPtr>, public multiComponentMixture { // Private member data diff --git a/tutorials/combustion/chemFoam/gri/constant/thermophysicalProperties b/tutorials/combustion/chemFoam/gri/constant/thermophysicalProperties index f247b67219..4e3fd79156 100644 --- a/tutorials/combustion/chemFoam/gri/constant/thermophysicalProperties +++ b/tutorials/combustion/chemFoam/gri/constant/thermophysicalProperties @@ -26,7 +26,6 @@ thermoType specie specie; } -chemistryReader foamChemistryReader; foamChemistryFile "$FOAM_CASE/constant/reactions"; foamChemistryThermoFile "$FOAM_CASE/constant/thermo"; diff --git a/tutorials/combustion/chemFoam/h2/Allclean b/tutorials/combustion/chemFoam/h2/Allclean index d511cde495..a3d5bcf25f 100755 --- a/tutorials/combustion/chemFoam/h2/Allclean +++ b/tutorials/combustion/chemFoam/h2/Allclean @@ -6,7 +6,7 @@ cd ${0%/*} || exit 1 # Run from this directory cleanCase -rm -rf 0 chemFoam.out validation/OF_vs_CHEMKINII.eps validation/chemkinII +rm -rf 0 chemFoam.out constant/reactions constant/thermo \ + validation/OF_vs_CHEMKINII.eps validation/chemkinII #------------------------------------------------------------------------------ - diff --git a/tutorials/combustion/chemFoam/h2/Allrun b/tutorials/combustion/chemFoam/h2/Allrun index de26a4017d..7175763e19 100755 --- a/tutorials/combustion/chemFoam/h2/Allrun +++ b/tutorials/combustion/chemFoam/h2/Allrun @@ -7,6 +7,10 @@ cd ${0%/*} || exit 1 # Run from this directory # Set application name application=$(getApplication) +runApplication chemkinToFoam \ + chemkin/chem.inp chemkin/therm.dat chemkin/transportProperties \ + constant/reactions constant/thermo + runApplication $application (cd validation && ./Allrun $*) diff --git a/tutorials/combustion/chemFoam/h2/constant/thermophysicalProperties b/tutorials/combustion/chemFoam/h2/constant/thermophysicalProperties index 147d6b6b6a..4e3fd79156 100644 --- a/tutorials/combustion/chemFoam/h2/constant/thermophysicalProperties +++ b/tutorials/combustion/chemFoam/h2/constant/thermophysicalProperties @@ -26,8 +26,7 @@ thermoType specie specie; } -CHEMKINFile "$FOAM_CASE/chemkin/chem.inp"; -CHEMKINThermoFile "$FOAM_CASE/chemkin/therm.dat"; -CHEMKINTransportFile "$FOAM_CASE/chemkin/transportProperties"; +foamChemistryFile "$FOAM_CASE/constant/reactions"; +foamChemistryThermoFile "$FOAM_CASE/constant/thermo"; // ************************************************************************* // diff --git a/tutorials/combustion/chemFoam/ic8h18/Allclean b/tutorials/combustion/chemFoam/ic8h18/Allclean index d511cde495..a3d5bcf25f 100755 --- a/tutorials/combustion/chemFoam/ic8h18/Allclean +++ b/tutorials/combustion/chemFoam/ic8h18/Allclean @@ -6,7 +6,7 @@ cd ${0%/*} || exit 1 # Run from this directory cleanCase -rm -rf 0 chemFoam.out validation/OF_vs_CHEMKINII.eps validation/chemkinII +rm -rf 0 chemFoam.out constant/reactions constant/thermo \ + validation/OF_vs_CHEMKINII.eps validation/chemkinII #------------------------------------------------------------------------------ - diff --git a/tutorials/combustion/chemFoam/ic8h18/Allrun b/tutorials/combustion/chemFoam/ic8h18/Allrun index de26a4017d..7175763e19 100755 --- a/tutorials/combustion/chemFoam/ic8h18/Allrun +++ b/tutorials/combustion/chemFoam/ic8h18/Allrun @@ -7,6 +7,10 @@ cd ${0%/*} || exit 1 # Run from this directory # Set application name application=$(getApplication) +runApplication chemkinToFoam \ + chemkin/chem.inp chemkin/therm.dat chemkin/transportProperties \ + constant/reactions constant/thermo + runApplication $application (cd validation && ./Allrun $*) diff --git a/tutorials/combustion/chemFoam/ic8h18/constant/thermophysicalProperties b/tutorials/combustion/chemFoam/ic8h18/constant/thermophysicalProperties index 147d6b6b6a..4e3fd79156 100644 --- a/tutorials/combustion/chemFoam/ic8h18/constant/thermophysicalProperties +++ b/tutorials/combustion/chemFoam/ic8h18/constant/thermophysicalProperties @@ -26,8 +26,7 @@ thermoType specie specie; } -CHEMKINFile "$FOAM_CASE/chemkin/chem.inp"; -CHEMKINThermoFile "$FOAM_CASE/chemkin/therm.dat"; -CHEMKINTransportFile "$FOAM_CASE/chemkin/transportProperties"; +foamChemistryFile "$FOAM_CASE/constant/reactions"; +foamChemistryThermoFile "$FOAM_CASE/constant/thermo"; // ************************************************************************* // diff --git a/tutorials/combustion/chemFoam/ic8h18_TDAC/Allclean b/tutorials/combustion/chemFoam/ic8h18_TDAC/Allclean index 84cf4789e8..a3d5bcf25f 100755 --- a/tutorials/combustion/chemFoam/ic8h18_TDAC/Allclean +++ b/tutorials/combustion/chemFoam/ic8h18_TDAC/Allclean @@ -6,6 +6,7 @@ cd ${0%/*} || exit 1 # Run from this directory cleanCase -rm -rf 0 chemFoam.out validation/OF_vs_CHEMKINII.eps validation/chemkinII +rm -rf 0 chemFoam.out constant/reactions constant/thermo \ + validation/OF_vs_CHEMKINII.eps validation/chemkinII #------------------------------------------------------------------------------ diff --git a/tutorials/combustion/chemFoam/ic8h18_TDAC/Allrun b/tutorials/combustion/chemFoam/ic8h18_TDAC/Allrun index de26a4017d..7175763e19 100755 --- a/tutorials/combustion/chemFoam/ic8h18_TDAC/Allrun +++ b/tutorials/combustion/chemFoam/ic8h18_TDAC/Allrun @@ -7,6 +7,10 @@ cd ${0%/*} || exit 1 # Run from this directory # Set application name application=$(getApplication) +runApplication chemkinToFoam \ + chemkin/chem.inp chemkin/therm.dat chemkin/transportProperties \ + constant/reactions constant/thermo + runApplication $application (cd validation && ./Allrun $*) diff --git a/tutorials/combustion/chemFoam/ic8h18_TDAC/constant/thermophysicalProperties b/tutorials/combustion/chemFoam/ic8h18_TDAC/constant/thermophysicalProperties index 147d6b6b6a..4e3fd79156 100644 --- a/tutorials/combustion/chemFoam/ic8h18_TDAC/constant/thermophysicalProperties +++ b/tutorials/combustion/chemFoam/ic8h18_TDAC/constant/thermophysicalProperties @@ -26,8 +26,7 @@ thermoType specie specie; } -CHEMKINFile "$FOAM_CASE/chemkin/chem.inp"; -CHEMKINThermoFile "$FOAM_CASE/chemkin/therm.dat"; -CHEMKINTransportFile "$FOAM_CASE/chemkin/transportProperties"; +foamChemistryFile "$FOAM_CASE/constant/reactions"; +foamChemistryThermoFile "$FOAM_CASE/constant/thermo"; // ************************************************************************* // diff --git a/tutorials/combustion/chemFoam/nc7h16/Allclean b/tutorials/combustion/chemFoam/nc7h16/Allclean index d511cde495..a3d5bcf25f 100755 --- a/tutorials/combustion/chemFoam/nc7h16/Allclean +++ b/tutorials/combustion/chemFoam/nc7h16/Allclean @@ -6,7 +6,7 @@ cd ${0%/*} || exit 1 # Run from this directory cleanCase -rm -rf 0 chemFoam.out validation/OF_vs_CHEMKINII.eps validation/chemkinII +rm -rf 0 chemFoam.out constant/reactions constant/thermo \ + validation/OF_vs_CHEMKINII.eps validation/chemkinII #------------------------------------------------------------------------------ - diff --git a/tutorials/combustion/chemFoam/nc7h16/Allrun b/tutorials/combustion/chemFoam/nc7h16/Allrun index de26a4017d..7175763e19 100755 --- a/tutorials/combustion/chemFoam/nc7h16/Allrun +++ b/tutorials/combustion/chemFoam/nc7h16/Allrun @@ -7,6 +7,10 @@ cd ${0%/*} || exit 1 # Run from this directory # Set application name application=$(getApplication) +runApplication chemkinToFoam \ + chemkin/chem.inp chemkin/therm.dat chemkin/transportProperties \ + constant/reactions constant/thermo + runApplication $application (cd validation && ./Allrun $*) diff --git a/tutorials/combustion/chemFoam/nc7h16/constant/thermophysicalProperties b/tutorials/combustion/chemFoam/nc7h16/constant/thermophysicalProperties index 147d6b6b6a..4e3fd79156 100644 --- a/tutorials/combustion/chemFoam/nc7h16/constant/thermophysicalProperties +++ b/tutorials/combustion/chemFoam/nc7h16/constant/thermophysicalProperties @@ -26,8 +26,7 @@ thermoType specie specie; } -CHEMKINFile "$FOAM_CASE/chemkin/chem.inp"; -CHEMKINThermoFile "$FOAM_CASE/chemkin/therm.dat"; -CHEMKINTransportFile "$FOAM_CASE/chemkin/transportProperties"; +foamChemistryFile "$FOAM_CASE/constant/reactions"; +foamChemistryThermoFile "$FOAM_CASE/constant/thermo"; // ************************************************************************* // diff --git a/tutorials/combustion/coldEngineFoam/freePiston/constant/thermophysicalProperties b/tutorials/combustion/coldEngineFoam/freePiston/constant/thermophysicalProperties index 8610b5436d..fdf8913893 100644 --- a/tutorials/combustion/coldEngineFoam/freePiston/constant/thermophysicalProperties +++ b/tutorials/combustion/coldEngineFoam/freePiston/constant/thermophysicalProperties @@ -28,7 +28,6 @@ thermoType inertSpecie air; -chemistryReader foamChemistryReader; foamChemistryFile "$FOAM_CASE/constant/include/reactions.air"; diff --git a/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/pyrolysisRegion/thermophysicalProperties b/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/pyrolysisRegion/thermophysicalProperties index 3da7321505..6a6dbbddbb 100644 --- a/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/pyrolysisRegion/thermophysicalProperties +++ b/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/pyrolysisRegion/thermophysicalProperties @@ -26,7 +26,6 @@ thermoType } -chemistryReader foamChemistryReader; foamChemistryFile "$FOAM_CASE/constant/pyrolysisRegion/reactions"; diff --git a/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/thermophysicalProperties b/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/thermophysicalProperties index c95329349e..45379451ab 100644 --- a/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/thermophysicalProperties +++ b/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/thermophysicalProperties @@ -30,7 +30,6 @@ inertSpecie N2; fuel C3H8; -chemistryReader foamChemistryReader; foamChemistryFile "$FOAM_CASE/constant/reactions"; diff --git a/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/panelRegion/thermophysicalProperties b/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/panelRegion/thermophysicalProperties index aa6b0fd0f4..e3563cfb9f 100644 --- a/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/panelRegion/thermophysicalProperties +++ b/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/panelRegion/thermophysicalProperties @@ -26,7 +26,6 @@ thermoType } -chemistryReader foamChemistryReader; foamChemistryFile "$FOAM_CASE/constant/panelRegion/reactions"; diff --git a/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/thermophysicalProperties b/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/thermophysicalProperties index c635de218d..393e4de139 100644 --- a/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/thermophysicalProperties +++ b/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/thermophysicalProperties @@ -30,7 +30,6 @@ inertSpecie N2; fuel C3H8; -chemistryReader foamChemistryReader; foamChemistryFile "$FOAM_CASE/constant/reactions"; diff --git a/tutorials/combustion/fireFoam/LES/smallPoolFire2D/constant/thermophysicalProperties b/tutorials/combustion/fireFoam/LES/smallPoolFire2D/constant/thermophysicalProperties index 5ec6fc534c..b6b80541d6 100644 --- a/tutorials/combustion/fireFoam/LES/smallPoolFire2D/constant/thermophysicalProperties +++ b/tutorials/combustion/fireFoam/LES/smallPoolFire2D/constant/thermophysicalProperties @@ -30,7 +30,6 @@ inertSpecie N2; fuel CH4; -chemistryReader foamChemistryReader; foamChemistryFile "$FOAM_CASE/constant/reactions"; diff --git a/tutorials/combustion/fireFoam/LES/smallPoolFire3D/constant/thermophysicalProperties b/tutorials/combustion/fireFoam/LES/smallPoolFire3D/constant/thermophysicalProperties index 5ec6fc534c..b6b80541d6 100644 --- a/tutorials/combustion/fireFoam/LES/smallPoolFire3D/constant/thermophysicalProperties +++ b/tutorials/combustion/fireFoam/LES/smallPoolFire3D/constant/thermophysicalProperties @@ -30,7 +30,6 @@ inertSpecie N2; fuel CH4; -chemistryReader foamChemistryReader; foamChemistryFile "$FOAM_CASE/constant/reactions"; diff --git a/tutorials/combustion/reactingFoam/RAS/DLR_A_LTS/constant/thermophysicalProperties b/tutorials/combustion/reactingFoam/RAS/DLR_A_LTS/constant/thermophysicalProperties index 90e51146cb..d01eae1e36 100644 --- a/tutorials/combustion/reactingFoam/RAS/DLR_A_LTS/constant/thermophysicalProperties +++ b/tutorials/combustion/reactingFoam/RAS/DLR_A_LTS/constant/thermophysicalProperties @@ -29,7 +29,6 @@ thermoType inertSpecie N2; -chemistryReader foamChemistryReader; foamChemistryFile "$FOAM_CASE/constant/reactionsGRI"; foamChemistryThermoFile "$FOAM_CASE/constant/thermo.compressibleGasGRI"; diff --git a/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/thermophysicalProperties b/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/thermophysicalProperties index 35a0fdba63..66dcc2006a 100644 --- a/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/thermophysicalProperties +++ b/tutorials/combustion/reactingFoam/RAS/SandiaD_LTS/constant/thermophysicalProperties @@ -28,7 +28,6 @@ thermoType inertSpecie N2; -chemistryReader foamChemistryReader; foamChemistryFile "$FOAM_CASE/constant/reactionsGRI"; foamChemistryThermoFile "$FOAM_CASE/constant/thermo.compressibleGasGRI"; diff --git a/tutorials/combustion/reactingFoam/RAS/membrane/constant/thermophysicalProperties b/tutorials/combustion/reactingFoam/RAS/membrane/constant/thermophysicalProperties index 2b430f22c4..968b4f02a3 100644 --- a/tutorials/combustion/reactingFoam/RAS/membrane/constant/thermophysicalProperties +++ b/tutorials/combustion/reactingFoam/RAS/membrane/constant/thermophysicalProperties @@ -28,7 +28,6 @@ thermoType inertSpecie N2; -chemistryReader foamChemistryReader; foamChemistryFile "$FOAM_CASE/constant/reactions"; diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/thermophysicalProperties b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/thermophysicalProperties index 2b430f22c4..968b4f02a3 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/thermophysicalProperties +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/thermophysicalProperties @@ -28,7 +28,6 @@ thermoType inertSpecie N2; -chemistryReader foamChemistryReader; foamChemistryFile "$FOAM_CASE/constant/reactions"; diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS/constant/thermophysicalProperties b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS/constant/thermophysicalProperties index 2b430f22c4..968b4f02a3 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS/constant/thermophysicalProperties +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS/constant/thermophysicalProperties @@ -28,7 +28,6 @@ thermoType inertSpecie N2; -chemistryReader foamChemistryReader; foamChemistryFile "$FOAM_CASE/constant/reactions"; diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermophysicalProperties b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermophysicalProperties index 6d748c209f..f50828d376 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermophysicalProperties +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermophysicalProperties @@ -28,7 +28,6 @@ thermoType inertSpecie N2; -chemistryReader foamChemistryReader; foamChemistryFile "$FOAM_CASE/constant/reactionsGRI"; foamChemistryThermoFile "$FOAM_CASE/constant/thermo.compressibleGasGRI"; diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI/constant/thermophysicalProperties b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI/constant/thermophysicalProperties index 6d748c209f..f50828d376 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI/constant/thermophysicalProperties +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI/constant/thermophysicalProperties @@ -28,7 +28,6 @@ thermoType inertSpecie N2; -chemistryReader foamChemistryReader; foamChemistryFile "$FOAM_CASE/constant/reactionsGRI"; foamChemistryThermoFile "$FOAM_CASE/constant/thermo.compressibleGasGRI"; diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/thermophysicalProperties b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/thermophysicalProperties index 6d748c209f..f50828d376 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/thermophysicalProperties +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/thermophysicalProperties @@ -28,7 +28,6 @@ thermoType inertSpecie N2; -chemistryReader foamChemistryReader; foamChemistryFile "$FOAM_CASE/constant/reactionsGRI"; foamChemistryThermoFile "$FOAM_CASE/constant/thermo.compressibleGasGRI"; diff --git a/tutorials/heatTransfer/chtMultiRegionFoam/reverseBurner/constant/gas/thermophysicalProperties b/tutorials/heatTransfer/chtMultiRegionFoam/reverseBurner/constant/gas/thermophysicalProperties index bea5cc9273..7f55d8f54f 100644 --- a/tutorials/heatTransfer/chtMultiRegionFoam/reverseBurner/constant/gas/thermophysicalProperties +++ b/tutorials/heatTransfer/chtMultiRegionFoam/reverseBurner/constant/gas/thermophysicalProperties @@ -28,7 +28,6 @@ thermoType inertSpecie N2; -chemistryReader foamChemistryReader; foamChemistryFile "$FOAM_CASE/constant/gas/reactions"; diff --git a/tutorials/lagrangian/coalChemistryFoam/simplifiedSiwek/constant/thermophysicalProperties b/tutorials/lagrangian/coalChemistryFoam/simplifiedSiwek/constant/thermophysicalProperties index 60e227808d..a9537e4a34 100644 --- a/tutorials/lagrangian/coalChemistryFoam/simplifiedSiwek/constant/thermophysicalProperties +++ b/tutorials/lagrangian/coalChemistryFoam/simplifiedSiwek/constant/thermophysicalProperties @@ -26,7 +26,6 @@ thermoType specie specie; } -chemistryReader foamChemistryReader; foamChemistryThermoFile "$FOAM_CASE/constant/foam.dat"; diff --git a/tutorials/lagrangian/reactingParcelFoam/counterFlowFlame2DLTS/constant/thermophysicalProperties b/tutorials/lagrangian/reactingParcelFoam/counterFlowFlame2DLTS/constant/thermophysicalProperties index 87092dbdf0..626ed13f0f 100644 --- a/tutorials/lagrangian/reactingParcelFoam/counterFlowFlame2DLTS/constant/thermophysicalProperties +++ b/tutorials/lagrangian/reactingParcelFoam/counterFlowFlame2DLTS/constant/thermophysicalProperties @@ -28,7 +28,6 @@ thermoType inertSpecie N2; -chemistryReader foamChemistryReader; foamChemistryFile "$FOAM_CASE/constant/reactions"; diff --git a/tutorials/lagrangian/reactingParcelFoam/cylinder/constant/thermophysicalProperties b/tutorials/lagrangian/reactingParcelFoam/cylinder/constant/thermophysicalProperties index 0b1fa2cadb..598fe66744 100644 --- a/tutorials/lagrangian/reactingParcelFoam/cylinder/constant/thermophysicalProperties +++ b/tutorials/lagrangian/reactingParcelFoam/cylinder/constant/thermophysicalProperties @@ -26,7 +26,6 @@ thermoType specie specie; } -chemistryReader foamChemistryReader; foamChemistryFile "$FOAM_CASE/constant/foam.inp"; diff --git a/tutorials/lagrangian/reactingParcelFoam/filter/constant/thermophysicalProperties b/tutorials/lagrangian/reactingParcelFoam/filter/constant/thermophysicalProperties index 0429272faf..7294660fa0 100644 --- a/tutorials/lagrangian/reactingParcelFoam/filter/constant/thermophysicalProperties +++ b/tutorials/lagrangian/reactingParcelFoam/filter/constant/thermophysicalProperties @@ -26,7 +26,6 @@ thermoType specie specie; } -chemistryReader foamChemistryReader; foamChemistryFile "$FOAM_CASE/constant/reactions"; diff --git a/tutorials/lagrangian/reactingParcelFoam/hotBoxes/constant/thermophysicalProperties b/tutorials/lagrangian/reactingParcelFoam/hotBoxes/constant/thermophysicalProperties index 0b1fa2cadb..598fe66744 100644 --- a/tutorials/lagrangian/reactingParcelFoam/hotBoxes/constant/thermophysicalProperties +++ b/tutorials/lagrangian/reactingParcelFoam/hotBoxes/constant/thermophysicalProperties @@ -26,7 +26,6 @@ thermoType specie specie; } -chemistryReader foamChemistryReader; foamChemistryFile "$FOAM_CASE/constant/foam.inp"; diff --git a/tutorials/lagrangian/reactingParcelFoam/parcelInBox/constant/thermophysicalProperties b/tutorials/lagrangian/reactingParcelFoam/parcelInBox/constant/thermophysicalProperties index b9e4606eee..e268623b62 100644 --- a/tutorials/lagrangian/reactingParcelFoam/parcelInBox/constant/thermophysicalProperties +++ b/tutorials/lagrangian/reactingParcelFoam/parcelInBox/constant/thermophysicalProperties @@ -26,7 +26,6 @@ thermoType specie specie; } -chemistryReader foamChemistryReader; foamChemistryFile "$FOAM_CASE/constant/reactions"; diff --git a/tutorials/lagrangian/reactingParcelFoam/rivuletPanel/constant/thermophysicalProperties b/tutorials/lagrangian/reactingParcelFoam/rivuletPanel/constant/thermophysicalProperties index 0b1fa2cadb..598fe66744 100644 --- a/tutorials/lagrangian/reactingParcelFoam/rivuletPanel/constant/thermophysicalProperties +++ b/tutorials/lagrangian/reactingParcelFoam/rivuletPanel/constant/thermophysicalProperties @@ -26,7 +26,6 @@ thermoType specie specie; } -chemistryReader foamChemistryReader; foamChemistryFile "$FOAM_CASE/constant/foam.inp"; diff --git a/tutorials/lagrangian/reactingParcelFoam/splashPanel/constant/thermophysicalProperties b/tutorials/lagrangian/reactingParcelFoam/splashPanel/constant/thermophysicalProperties index 0b1fa2cadb..598fe66744 100644 --- a/tutorials/lagrangian/reactingParcelFoam/splashPanel/constant/thermophysicalProperties +++ b/tutorials/lagrangian/reactingParcelFoam/splashPanel/constant/thermophysicalProperties @@ -26,7 +26,6 @@ thermoType specie specie; } -chemistryReader foamChemistryReader; foamChemistryFile "$FOAM_CASE/constant/foam.inp"; diff --git a/tutorials/lagrangian/reactingParcelFoam/verticalChannel/constant/thermophysicalProperties b/tutorials/lagrangian/reactingParcelFoam/verticalChannel/constant/thermophysicalProperties index b9e4606eee..e268623b62 100644 --- a/tutorials/lagrangian/reactingParcelFoam/verticalChannel/constant/thermophysicalProperties +++ b/tutorials/lagrangian/reactingParcelFoam/verticalChannel/constant/thermophysicalProperties @@ -26,7 +26,6 @@ thermoType specie specie; } -chemistryReader foamChemistryReader; foamChemistryFile "$FOAM_CASE/constant/reactions"; diff --git a/tutorials/lagrangian/reactingParcelFoam/verticalChannelLTS/constant/thermophysicalProperties b/tutorials/lagrangian/reactingParcelFoam/verticalChannelLTS/constant/thermophysicalProperties index b9e4606eee..e268623b62 100644 --- a/tutorials/lagrangian/reactingParcelFoam/verticalChannelLTS/constant/thermophysicalProperties +++ b/tutorials/lagrangian/reactingParcelFoam/verticalChannelLTS/constant/thermophysicalProperties @@ -26,7 +26,6 @@ thermoType specie specie; } -chemistryReader foamChemistryReader; foamChemistryFile "$FOAM_CASE/constant/reactions"; diff --git a/tutorials/lagrangian/simpleReactingParcelFoam/verticalChannel/constant/thermophysicalProperties b/tutorials/lagrangian/simpleReactingParcelFoam/verticalChannel/constant/thermophysicalProperties index f83ab8c494..db2cfcee6a 100644 --- a/tutorials/lagrangian/simpleReactingParcelFoam/verticalChannel/constant/thermophysicalProperties +++ b/tutorials/lagrangian/simpleReactingParcelFoam/verticalChannel/constant/thermophysicalProperties @@ -26,7 +26,6 @@ thermoType specie specie; } -chemistryReader foamChemistryReader; foamChemistryFile "$FOAM_CASE/constant/reactions"; diff --git a/tutorials/lagrangian/sprayFoam/aachenBomb/Allclean b/tutorials/lagrangian/sprayFoam/aachenBomb/Allclean new file mode 100755 index 0000000000..2e3845d156 --- /dev/null +++ b/tutorials/lagrangian/sprayFoam/aachenBomb/Allclean @@ -0,0 +1,11 @@ +#!/bin/sh +cd ${0%/*} || exit 1 # Run from this directory + +# Source tutorial run functions +. $WM_PROJECT_DIR/bin/tools/CleanFunctions + +cleanCase + +rm -rf constant/reactions constant/thermo + +#------------------------------------------------------------------------------ diff --git a/tutorials/lagrangian/sprayFoam/aachenBomb/Allrun b/tutorials/lagrangian/sprayFoam/aachenBomb/Allrun new file mode 100755 index 0000000000..28fce7bd28 --- /dev/null +++ b/tutorials/lagrangian/sprayFoam/aachenBomb/Allrun @@ -0,0 +1,17 @@ +#!/bin/sh +cd ${0%/*} || exit 1 # Run from this directory + +# Source tutorial run functions +. $WM_PROJECT_DIR/bin/tools/RunFunctions + +# Set application name +application=$(getApplication) + +runApplication chemkinToFoam \ + chemkin/chem.inp chemkin/therm.dat chemkin/transportProperties \ + constant/reactions constant/thermo + +runApplication blockMesh +runApplication $application + +#------------------------------------------------------------------------------ diff --git a/tutorials/lagrangian/sprayFoam/aachenBomb/constant/thermophysicalProperties b/tutorials/lagrangian/sprayFoam/aachenBomb/constant/thermophysicalProperties index d2685e655a..fa4ac2fa51 100644 --- a/tutorials/lagrangian/sprayFoam/aachenBomb/constant/thermophysicalProperties +++ b/tutorials/lagrangian/sprayFoam/aachenBomb/constant/thermophysicalProperties @@ -26,9 +26,8 @@ thermoType specie specie; } -CHEMKINFile "$FOAM_CASE/chemkin/chem.inp"; -CHEMKINThermoFile "$FOAM_CASE/chemkin/therm.dat"; -CHEMKINTransportFile "$FOAM_CASE/chemkin/transportProperties"; +foamChemistryFile "$FOAM_CASE/constant/reactions"; +foamChemistryThermoFile "$FOAM_CASE/constant/thermo"; newFormat yes; diff --git a/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumnEvaporatingReacting/constant/thermophysicalProperties.gas b/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumnEvaporatingReacting/constant/thermophysicalProperties.gas index 3319f310ba..9dc60fbe52 100644 --- a/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumnEvaporatingReacting/constant/thermophysicalProperties.gas +++ b/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumnEvaporatingReacting/constant/thermophysicalProperties.gas @@ -28,7 +28,6 @@ thermoType inertSpecie AIR; -chemistryReader foamChemistryReader; foamChemistryFile "$FOAM_CASE/constant/reactions.gas";