diff --git a/applications/solvers/modules/multiphaseEuler/multiphaseReactions/phaseSurfaceArrheniusReactionRate/makephaseSurfaceArrheniusReactions.C b/applications/solvers/modules/multiphaseEuler/multiphaseReactions/phaseSurfaceArrheniusReactionRate/makephaseSurfaceArrheniusReactions.C index 1118b4cd42..eba544bc7f 100644 --- a/applications/solvers/modules/multiphaseEuler/multiphaseReactions/phaseSurfaceArrheniusReactionRate/makephaseSurfaceArrheniusReactions.C +++ b/applications/solvers/modules/multiphaseEuler/multiphaseReactions/phaseSurfaceArrheniusReactionRate/makephaseSurfaceArrheniusReactions.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2021-2022 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2021-2023 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -38,7 +38,7 @@ namespace Foam makeGeneralReaction, IrreversibleReaction, phaseSurfaceArrheniusReactionRate - ) + ); } // ************************************************************************* // diff --git a/etc/codeTemplates/dynamicCode/basicChemistryModelTemplate.C b/etc/codeTemplates/dynamicCode/basicChemistryModelTemplate.C index 0f54f792a0..46234037ec 100644 --- a/etc/codeTemplates/dynamicCode/basicChemistryModelTemplate.C +++ b/etc/codeTemplates/dynamicCode/basicChemistryModelTemplate.C @@ -23,10 +23,6 @@ License \*---------------------------------------------------------------------------*/ -#include "makeChemistrySolver.H" -#include "${method}.H" -#include "${solver}.H" - #include "typedefThermo.H" #include "${specie}.H" @@ -43,6 +39,7 @@ License // Transport #include "${transport}Transport.H" + // * * * * * * * * * * * * * * * Global Functions * * * * * * * * * * * * * // extern "C" @@ -81,22 +78,30 @@ namespace Foam ${equationOfState}, ${specie} ); +} + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +#include "makeChemistrySolver.H" +#include "${method}.H" +#include "${solver}.H" + +namespace Foam +{ defineChemistrySolver(${method}, ThermoPhysics); makeChemistrySolver(${solver}, ${method}, ThermoPhysics); } -#define chemistryModelCppTest 0 -#if ${method}CppTest == chemistryModelCppTest +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +#define chemistryModelMethod 0 + +#if ${method}Method == chemistryModelMethod #include "makeChemistryReductionMethod.H" -namespace Foam -{ - defineChemistryReductionMethod(nullArg, ThermoPhysics); -} - #include "noChemistryReduction.H" #include "DAC.H" #include "DRG.H" @@ -106,6 +111,8 @@ namespace Foam namespace Foam { + defineChemistryReductionMethod(nullArg, ThermoPhysics); + makeChemistryReductionMethod(none, ThermoPhysics); makeChemistryReductionMethod(DAC, ThermoPhysics); makeChemistryReductionMethod(DRG, ThermoPhysics); @@ -119,6 +126,10 @@ namespace Foam // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // +#define chemistryModelMethod 0 + +#if ${method}Method == chemistryModelMethod + #include "makeReaction.H" #include "ArrheniusReactionRate.H" @@ -128,92 +139,100 @@ namespace Foam #include "JanevReactionRate.H" #include "powerSeriesReactionRate.H" -#include "LangmuirHinshelwoodReactionRate.H" -#include "MichaelisMentenReactionRate.H" - -#include "ChemicallyActivatedReactionRate.H" #include "FallOffReactionRate.H" - +#include "ChemicallyActivatedReactionRate.H" #include "LindemannFallOffFunction.H" #include "SRIFallOffFunction.H" #include "TroeFallOffFunction.H" +#include "MichaelisMentenReactionRate.H" +#include "LangmuirHinshelwoodReactionRate.H" +#include "fluxLimitedLangmuirHinshelwoodReactionRate.H" +#include "surfaceArrheniusReactionRate.H" + namespace Foam { defineReaction(nullArg, ThermoPhysics); + // Irreversible/reversible/non-equilibrium-reversible reactions makeIRNReactions(ArrheniusReactionRate, ThermoPhysics); makeIRNReactions(LandauTellerReactionRate, ThermoPhysics); makeIRNReactions(thirdBodyArrheniusReactionRate, ThermoPhysics); + + // Irreversible/reversible reactions makeIRReactions(JanevReactionRate, ThermoPhysics); makeIRReactions(powerSeriesReactionRate, ThermoPhysics); - makeIRReactions(LangmuirHinshelwoodReactionRate, ThermoPhysics); + // Irreversible/reversible fall-off reactions + makeIRTemplate2Reactions + ( + FallOffReactionRate, + ArrheniusReactionRate, + LindemannFallOffFunction, + ThermoPhysics + ); + makeIRTemplate2Reactions + ( + FallOffReactionRate, + ArrheniusReactionRate, + TroeFallOffFunction, + ThermoPhysics + ); + makeIRTemplate2Reactions + ( + FallOffReactionRate, + ArrheniusReactionRate, + SRIFallOffFunction, + ThermoPhysics + ); + + // Irreversible/reversible chemically activated reactions + makeIRTemplate2Reactions + ( + ChemicallyActivatedReactionRate, + ArrheniusReactionRate, + LindemannFallOffFunction, + ThermoPhysics + ); + makeIRTemplate2Reactions + ( + ChemicallyActivatedReactionRate, + ArrheniusReactionRate, + TroeFallOffFunction, + ThermoPhysics + ); + makeIRTemplate2Reactions + ( + ChemicallyActivatedReactionRate, + ArrheniusReactionRate, + SRIFallOffFunction, + ThermoPhysics + ); + + // Michaelis-Menten Reactions makeIReactions(MichaelisMentenReactionRate, ThermoPhysics); - makeIRRPressureDependentReactions - ( - FallOffReactionRate, - ArrheniusReactionRate, - LindemannFallOffFunction, - ThermoPhysics - ); + // Langmuir-Hinshelwood Reactions + makeIRReactions(LangmuirHinshelwoodReactionRate, ThermoPhysics); - makeIRRPressureDependentReactions - ( - FallOffReactionRate, - ArrheniusReactionRate, - TroeFallOffFunction, - ThermoPhysics - ); - - makeIRRPressureDependentReactions - ( - FallOffReactionRate, - ArrheniusReactionRate, - SRIFallOffFunction, - ThermoPhysics - ); - - makeIRRPressureDependentReactions - ( - ChemicallyActivatedReactionRate, - ArrheniusReactionRate, - LindemannFallOffFunction, - ThermoPhysics - ); - - makeIRRPressureDependentReactions - ( - ChemicallyActivatedReactionRate, - ArrheniusReactionRate, - TroeFallOffFunction, - ThermoPhysics - ); - - makeIRRPressureDependentReactions - ( - ChemicallyActivatedReactionRate, - ArrheniusReactionRate, - SRIFallOffFunction, - ThermoPhysics - ); -} - - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -#include "fluxLimitedLangmuirHinshelwoodReactionRate.H" - -namespace Foam -{ + // Flux-limited Langmuir-Hinshelwood Reactions makeGeneralReaction ( IrreversibleReaction, fluxLimitedLangmuirHinshelwoodReactionRate, ThermoPhysics ); + + // Surface-Arrhenius Reactions + makeGeneralReaction + ( + IrreversibleReaction, + surfaceArrheniusReactionRate, + ThermoPhysics + ); } +#endif + // ************************************************************************* // diff --git a/src/meshTools/mappedPatches/mappedPatchBase/mappedPatchBase.H b/src/meshTools/mappedPatches/mappedPatchBase/mappedPatchBase.H index 534fa4102c..b1addbe851 100644 --- a/src/meshTools/mappedPatches/mappedPatchBase/mappedPatchBase.H +++ b/src/meshTools/mappedPatches/mappedPatchBase/mappedPatchBase.H @@ -211,7 +211,7 @@ public: static const label any = 0; static const label sameRegion = 1; static const label differentRegion = 2; - static const label differentPatch = 4; + static const label differentPatch = 4; }; //- Validate that the map exists and is appropriate for the given diff --git a/src/thermophysicalModels/chemistryModel/Make/files b/src/thermophysicalModels/chemistryModel/Make/files index ac09a38c64..130ca66987 100644 --- a/src/thermophysicalModels/chemistryModel/Make/files +++ b/src/thermophysicalModels/chemistryModel/Make/files @@ -24,12 +24,7 @@ chemistryModel/tabulation/ISAT/chemPointISAT/chemPointISAT.C chemistryModel/tabulation/ISAT/binaryNode/binaryNode.C chemistryModel/tabulation/ISAT/binaryTree/binaryTree.C -reactions/makeReactions.C - -reactions/makeLangmuirHinshelwoodReactions.C -reactions/makeMichaelisMentenReactions.C -reactions/fluxLimitedLangmuirHinshelwood/makefluxLimitedLangmuirHinshelwoodReactions.C -reactions/surfaceArrheniusReactionRate/makesurfaceArrheniusReactions.C +reaction/makeReactions.C functionObjects/specieReactionRates/specieReactionRates.C diff --git a/src/thermophysicalModels/chemistryModel/reactions/makeReaction.H b/src/thermophysicalModels/chemistryModel/reaction/makeReaction.H similarity index 79% rename from src/thermophysicalModels/chemistryModel/reactions/makeReaction.H rename to src/thermophysicalModels/chemistryModel/reaction/makeReaction.H index 6b40083374..cb7156c1ad 100644 --- a/src/thermophysicalModels/chemistryModel/reactions/makeReaction.H +++ b/src/thermophysicalModels/chemistryModel/reaction/makeReaction.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2011-2022 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2023 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -95,26 +95,6 @@ Description Reaction##ThermoPhysics, \ ReactionType##ThermoPhysics##ReactionRate, \ objectRegistry \ - ); - - -#define makePressureDependentReaction\ -( \ - ReactionType, \ - PressureDependentReactionRate, \ - ReactionRate, \ - FallOffFunction, \ - ThermoPhysics \ -) \ - \ - typedef PressureDependentReactionRate \ - PressureDependentReactionRate##ReactionRate##FallOffFunction; \ - \ - makeReaction \ - ( \ - ReactionType, \ - PressureDependentReactionRate##ReactionRate##FallOffFunction, \ - ThermoPhysics \ ) @@ -135,32 +115,53 @@ Description makeReaction(NonEquilibriumReversibleReaction, ReactionRate, ThermoPhysics) -#define makeIRRPressureDependentReactions\ -( \ - PressureDependentReactionRate, \ - ReactionRate, \ - FallOffFunction, \ - ThermoPhysics \ -) \ +#define makeITemplate1Reactions(ReactionRate, Param, ThermoPhysics) \ \ - makePressureDependentReaction \ + typedef ReactionRate ReactionRate##Param; \ + \ + makeReaction \ ( \ IrreversibleReaction, \ - PressureDependentReactionRate, \ - ReactionRate, \ - FallOffFunction, \ - ThermoPhysics \ - ); \ - makePressureDependentReaction \ - ( \ - ReversibleReaction, \ - PressureDependentReactionRate, \ - ReactionRate, \ - FallOffFunction, \ + ReactionRate##Param, \ ThermoPhysics \ ) +#define makeIRTemplate1Reactions(ReactionRate, Param, ThermoPhysics) \ + \ + makeITemplate1Reactions(ReactionRate, Param, ThermoPhysics); \ + \ + makeReaction \ + ( \ + ReversibleReaction, \ + ReactionRate##Param, \ + ThermoPhysics \ + ) + + +#define makeITemplate2Reactions(ReactionRate, Param1, Param2, ThermoPhysics) \ + \ + typedef ReactionRate ReactionRate##Param1##Param2; \ + \ + makeReaction \ + ( \ + IrreversibleReaction, \ + ReactionRate##Param1##Param2, \ + ThermoPhysics \ + ) + + +#define makeIRTemplate2Reactions(ReactionRate, Param1, Param2, ThermoPhysics) \ + \ + makeITemplate2Reactions(ReactionRate, Param1, Param2, ThermoPhysics); \ + \ + makeReaction \ + ( \ + ReversibleReaction, \ + ReactionRate##Param1##Param2, \ + ThermoPhysics \ + ) + // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // #endif diff --git a/src/thermophysicalModels/chemistryModel/reactions/makeReactions.C b/src/thermophysicalModels/chemistryModel/reaction/makeReactions.C similarity index 75% rename from src/thermophysicalModels/chemistryModel/reactions/makeReactions.C rename to src/thermophysicalModels/chemistryModel/reaction/makeReactions.C index b6e6c303b6..d110263ead 100644 --- a/src/thermophysicalModels/chemistryModel/reactions/makeReactions.C +++ b/src/thermophysicalModels/chemistryModel/reaction/makeReactions.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2012-2021 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2012-2023 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -32,16 +32,16 @@ License #include "JanevReactionRate.H" #include "powerSeriesReactionRate.H" -#include "ChemicallyActivatedReactionRate.H" #include "FallOffReactionRate.H" - +#include "ChemicallyActivatedReactionRate.H" #include "LindemannFallOffFunction.H" #include "SRIFallOffFunction.H" #include "TroeFallOffFunction.H" -#include "LangmuirHinshelwoodReactionRate.H" - #include "MichaelisMentenReactionRate.H" +#include "LangmuirHinshelwoodReactionRate.H" +#include "fluxLimitedLangmuirHinshelwoodReactionRate.H" +#include "surfaceArrheniusReactionRate.H" #include "forGases.H" #include "forLiquids.H" @@ -54,6 +54,7 @@ const char* const Foam::Tuple2::typeName "Tuple2" ); + // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // namespace Foam @@ -61,119 +62,137 @@ namespace Foam forCoeffGases(defineReaction, nullArg); forCoeffLiquids(defineReaction, nullArg); - // Irreversible/reversible/non-equilibrium-reversible reactions - forCoeffGases(makeIRNReactions, ArrheniusReactionRate); forCoeffLiquids(makeIRNReactions, ArrheniusReactionRate); - forCoeffGases(makeIRNReactions, LandauTellerReactionRate); forCoeffLiquids(makeIRNReactions, LandauTellerReactionRate); - forCoeffGases(makeIRNReactions, thirdBodyArrheniusReactionRate); forCoeffLiquids(makeIRNReactions, thirdBodyArrheniusReactionRate); - // Irreversible/reversible reactions - forCoeffGases(makeIRReactions, JanevReactionRate); forCoeffLiquids(makeIRReactions, JanevReactionRate); - forCoeffGases(makeIRReactions, powerSeriesReactionRate); forCoeffLiquids(makeIRReactions, powerSeriesReactionRate); - - // Pressure dependent reactions - + // Irreversible/reversible fall-off reactions forCoeffGases ( - makeIRRPressureDependentReactions, + makeIRTemplate2Reactions, FallOffReactionRate, ArrheniusReactionRate, LindemannFallOffFunction ); forCoeffLiquids ( - makeIRRPressureDependentReactions, + makeIRTemplate2Reactions, FallOffReactionRate, ArrheniusReactionRate, LindemannFallOffFunction ); - forCoeffGases ( - makeIRRPressureDependentReactions, + makeIRTemplate2Reactions, FallOffReactionRate, ArrheniusReactionRate, TroeFallOffFunction ); forCoeffLiquids ( - makeIRRPressureDependentReactions, + makeIRTemplate2Reactions, FallOffReactionRate, ArrheniusReactionRate, TroeFallOffFunction ); - forCoeffGases ( - makeIRRPressureDependentReactions, + makeIRTemplate2Reactions, FallOffReactionRate, ArrheniusReactionRate, SRIFallOffFunction ); forCoeffLiquids ( - makeIRRPressureDependentReactions, + makeIRTemplate2Reactions, FallOffReactionRate, ArrheniusReactionRate, SRIFallOffFunction ); + // Irreversible/reversible chemically activated reactions forCoeffGases ( - makeIRRPressureDependentReactions, + makeIRTemplate2Reactions, ChemicallyActivatedReactionRate, ArrheniusReactionRate, LindemannFallOffFunction ); forCoeffLiquids ( - makeIRRPressureDependentReactions, + makeIRTemplate2Reactions, ChemicallyActivatedReactionRate, ArrheniusReactionRate, LindemannFallOffFunction ); - forCoeffGases ( - makeIRRPressureDependentReactions, + makeIRTemplate2Reactions, ChemicallyActivatedReactionRate, ArrheniusReactionRate, TroeFallOffFunction ); forCoeffLiquids ( - makeIRRPressureDependentReactions, + makeIRTemplate2Reactions, ChemicallyActivatedReactionRate, ArrheniusReactionRate, TroeFallOffFunction ); - forCoeffGases ( - makeIRRPressureDependentReactions, + makeIRTemplate2Reactions, ChemicallyActivatedReactionRate, ArrheniusReactionRate, SRIFallOffFunction ); forCoeffLiquids ( - makeIRRPressureDependentReactions, + makeIRTemplate2Reactions, ChemicallyActivatedReactionRate, ArrheniusReactionRate, SRIFallOffFunction ); + + // Michaelis-Menten Reactions + forCoeffLiquids(makeIReactions, MichaelisMentenReactionRate); + + // Langmuir-Hinshelwood Reactions + forCoeffGases(makeIRReactions, LangmuirHinshelwoodReactionRate); + forCoeffLiquids(makeIRReactions, LangmuirHinshelwoodReactionRate); + + // Flux-limited Langmuir-Hinshelwood Reactions + forCoeffGases + ( + makeGeneralReaction, + IrreversibleReaction, + fluxLimitedLangmuirHinshelwoodReactionRate + ); + + // Surface-Arrhenius Reactions + forCoeffGases + ( + makeGeneralReaction, + IrreversibleReaction, + surfaceArrheniusReactionRate + ); + forCoeffLiquids + ( + makeGeneralReaction, + IrreversibleReaction, + surfaceArrheniusReactionRate + ); } + // ************************************************************************* // diff --git a/src/thermophysicalModels/chemistryModel/reactions/fluxLimitedLangmuirHinshelwood/makefluxLimitedLangmuirHinshelwoodReactions.C b/src/thermophysicalModels/chemistryModel/reactions/fluxLimitedLangmuirHinshelwood/makefluxLimitedLangmuirHinshelwoodReactions.C deleted file mode 100644 index 848216485e..0000000000 --- a/src/thermophysicalModels/chemistryModel/reactions/fluxLimitedLangmuirHinshelwood/makefluxLimitedLangmuirHinshelwoodReactions.C +++ /dev/null @@ -1,44 +0,0 @@ -/*---------------------------------------------------------------------------*\ - ========= | - \\ / F ield | OpenFOAM: The Open Source CFD Toolbox - \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2019-2021 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 "makeReaction.H" - -#include "fluxLimitedLangmuirHinshelwoodReactionRate.H" - -#include "forGases.H" - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -namespace Foam -{ - forCoeffGases - ( - makeGeneralReaction, - IrreversibleReaction, - fluxLimitedLangmuirHinshelwoodReactionRate - ) -} - -// ************************************************************************* // diff --git a/src/thermophysicalModels/chemistryModel/reactions/makeLangmuirHinshelwoodReactions.C b/src/thermophysicalModels/chemistryModel/reactions/makeLangmuirHinshelwoodReactions.C deleted file mode 100644 index 9e167402f4..0000000000 --- a/src/thermophysicalModels/chemistryModel/reactions/makeLangmuirHinshelwoodReactions.C +++ /dev/null @@ -1,41 +0,0 @@ -/*---------------------------------------------------------------------------*\ - ========= | - \\ / F ield | OpenFOAM: The Open Source CFD Toolbox - \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2011-2021 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 "makeReaction.H" - -#include "LangmuirHinshelwoodReactionRate.H" - -#include "forGases.H" -#include "forLiquids.H" - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -namespace Foam -{ - forCoeffGases(makeIRReactions, LangmuirHinshelwoodReactionRate); - forCoeffLiquids(makeIRReactions, LangmuirHinshelwoodReactionRate); -} - -// ************************************************************************* // diff --git a/src/thermophysicalModels/chemistryModel/reactions/makeMichaelisMentenReactions.C b/src/thermophysicalModels/chemistryModel/reactions/makeMichaelisMentenReactions.C deleted file mode 100644 index 849815a1cc..0000000000 --- a/src/thermophysicalModels/chemistryModel/reactions/makeMichaelisMentenReactions.C +++ /dev/null @@ -1,39 +0,0 @@ -/*---------------------------------------------------------------------------*\ - ========= | - \\ / F ield | OpenFOAM: The Open Source CFD Toolbox - \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2018-2021 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 "makeReaction.H" - -#include "MichaelisMentenReactionRate.H" - -#include "forLiquids.H" - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -namespace Foam -{ - forCoeffLiquids(makeIReactions, MichaelisMentenReactionRate); -} - -// ************************************************************************* // diff --git a/src/thermophysicalModels/chemistryModel/reactions/surfaceArrheniusReactionRate/makesurfaceArrheniusReactions.C b/src/thermophysicalModels/chemistryModel/reactions/surfaceArrheniusReactionRate/makesurfaceArrheniusReactions.C deleted file mode 100644 index db398553bc..0000000000 --- a/src/thermophysicalModels/chemistryModel/reactions/surfaceArrheniusReactionRate/makesurfaceArrheniusReactions.C +++ /dev/null @@ -1,44 +0,0 @@ -/*---------------------------------------------------------------------------*\ - ========= | - \\ / F ield | OpenFOAM: The Open Source CFD Toolbox - \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2019-2021 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 "makeReaction.H" - -#include "surfaceArrheniusReactionRate.H" - -#include "forGases.H" - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -namespace Foam -{ - forCoeffGases - ( - makeGeneralReaction, - IrreversibleReaction, - surfaceArrheniusReactionRate - ) -} - -// ************************************************************************* // diff --git a/src/thermophysicalModels/chemistryModel/reactions/fluxLimitedLangmuirHinshelwood/fluxLimitedLangmuirHinshelwoodReactionRate.H b/src/thermophysicalModels/specie/reaction/reactionRate/fluxLimitedLangmuirHinshelwoodReactionRate/fluxLimitedLangmuirHinshelwoodReactionRate.H similarity index 98% rename from src/thermophysicalModels/chemistryModel/reactions/fluxLimitedLangmuirHinshelwood/fluxLimitedLangmuirHinshelwoodReactionRate.H rename to src/thermophysicalModels/specie/reaction/reactionRate/fluxLimitedLangmuirHinshelwoodReactionRate/fluxLimitedLangmuirHinshelwoodReactionRate.H index 271f140781..79a0ea2459 100644 --- a/src/thermophysicalModels/chemistryModel/reactions/fluxLimitedLangmuirHinshelwood/fluxLimitedLangmuirHinshelwoodReactionRate.H +++ b/src/thermophysicalModels/specie/reaction/reactionRate/fluxLimitedLangmuirHinshelwoodReactionRate/fluxLimitedLangmuirHinshelwoodReactionRate.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2019-2021 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2019-2023 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License diff --git a/src/thermophysicalModels/chemistryModel/reactions/fluxLimitedLangmuirHinshelwood/fluxLimitedLangmuirHinshelwoodReactionRateI.H b/src/thermophysicalModels/specie/reaction/reactionRate/fluxLimitedLangmuirHinshelwoodReactionRate/fluxLimitedLangmuirHinshelwoodReactionRateI.H similarity index 99% rename from src/thermophysicalModels/chemistryModel/reactions/fluxLimitedLangmuirHinshelwood/fluxLimitedLangmuirHinshelwoodReactionRateI.H rename to src/thermophysicalModels/specie/reaction/reactionRate/fluxLimitedLangmuirHinshelwoodReactionRate/fluxLimitedLangmuirHinshelwoodReactionRateI.H index 99c0820a91..aab66ec586 100644 --- a/src/thermophysicalModels/chemistryModel/reactions/fluxLimitedLangmuirHinshelwood/fluxLimitedLangmuirHinshelwoodReactionRateI.H +++ b/src/thermophysicalModels/specie/reaction/reactionRate/fluxLimitedLangmuirHinshelwoodReactionRate/fluxLimitedLangmuirHinshelwoodReactionRateI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2019-2022 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2019-2023 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License diff --git a/src/thermophysicalModels/chemistryModel/reactions/surfaceArrheniusReactionRate/surfaceArrheniusReactionRate.H b/src/thermophysicalModels/specie/reaction/reactionRate/surfaceArrheniusReactionRate/surfaceArrheniusReactionRate.H similarity index 98% rename from src/thermophysicalModels/chemistryModel/reactions/surfaceArrheniusReactionRate/surfaceArrheniusReactionRate.H rename to src/thermophysicalModels/specie/reaction/reactionRate/surfaceArrheniusReactionRate/surfaceArrheniusReactionRate.H index 33281d9006..3b09f65516 100644 --- a/src/thermophysicalModels/chemistryModel/reactions/surfaceArrheniusReactionRate/surfaceArrheniusReactionRate.H +++ b/src/thermophysicalModels/specie/reaction/reactionRate/surfaceArrheniusReactionRate/surfaceArrheniusReactionRate.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2019-2021 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2019-2023 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License diff --git a/src/thermophysicalModels/chemistryModel/reactions/surfaceArrheniusReactionRate/surfaceArrheniusReactionRateI.H b/src/thermophysicalModels/specie/reaction/reactionRate/surfaceArrheniusReactionRate/surfaceArrheniusReactionRateI.H similarity index 97% rename from src/thermophysicalModels/chemistryModel/reactions/surfaceArrheniusReactionRate/surfaceArrheniusReactionRateI.H rename to src/thermophysicalModels/specie/reaction/reactionRate/surfaceArrheniusReactionRate/surfaceArrheniusReactionRateI.H index 3b9ef912d5..fdd50161ca 100644 --- a/src/thermophysicalModels/chemistryModel/reactions/surfaceArrheniusReactionRate/surfaceArrheniusReactionRateI.H +++ b/src/thermophysicalModels/specie/reaction/reactionRate/surfaceArrheniusReactionRate/surfaceArrheniusReactionRateI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2019-2021 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2019-2023 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License diff --git a/src/thermophysicalModels/specie/reaction/specieExponent/specieExponent.H b/src/thermophysicalModels/specie/reaction/specieExponent/specieExponent.H index 8878b15cb7..64b64a1023 100644 --- a/src/thermophysicalModels/specie/reaction/specieExponent/specieExponent.H +++ b/src/thermophysicalModels/specie/reaction/specieExponent/specieExponent.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2021 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2021-2023 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -25,11 +25,11 @@ Class Foam::specieExponent Description + Type for exponents of species in reaction. Can take either integer or + scalar value, and powers are optimised in the integer case. SourceFiles specieExponentI.H - specieExponent.C - specieExponentIO.C \*---------------------------------------------------------------------------*/ diff --git a/src/thermophysicalModels/specie/thermo/thermo/thermoI.H b/src/thermophysicalModels/specie/thermo/thermo/thermoI.H index a15319ae80..9298be12a3 100644 --- a/src/thermophysicalModels/specie/thermo/thermo/thermoI.H +++ b/src/thermophysicalModels/specie/thermo/thermo/thermoI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2011-2020 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2023 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -25,6 +25,7 @@ License #include "thermo.H" #include "IOmanip.H" +#include "IOstreams.H" // * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //