From 225c6777b28e81eb87b23dfbcc2c49fd128f7033 Mon Sep 17 00:00:00 2001
From: Henry Weller <http://cfd.direct>
Date: Wed, 10 Aug 2016 19:48:43 +0100
Subject: [PATCH] functionObjects::specieReactionRates: New functionObject to
write the domain averaged reaction rates for each specie for each reaction
---
.../chemistryModel/Make/files | 2 +
.../basicChemistryModel/basicChemistryModel.H | 6 +
.../chemistryModel/chemistryModel.H | 4 +-
.../specieReactionRates/specieReactionRates.C | 202 ++++++++++++++++++
.../specieReactionRates/specieReactionRates.H | 126 +++++++++++
5 files changed, 338 insertions(+), 2 deletions(-)
create mode 100644 src/thermophysicalModels/chemistryModel/functionObjects/specieReactionRates/specieReactionRates.C
create mode 100644 src/thermophysicalModels/chemistryModel/functionObjects/specieReactionRates/specieReactionRates.H
diff --git a/src/thermophysicalModels/chemistryModel/Make/files b/src/thermophysicalModels/chemistryModel/Make/files
index d0782c33b90..19e704dcfc5 100644
--- a/src/thermophysicalModels/chemistryModel/Make/files
+++ b/src/thermophysicalModels/chemistryModel/Make/files
@@ -11,4 +11,6 @@ chemistryModel/TDACChemistryModel/tabulation/makeChemistryTabulationMethods.C
chemistrySolver/chemistrySolver/makeChemistrySolvers.C
+functionObjects/specieReactionRates/specieReactionRates.C
+
LIB = $(FOAM_LIBBIN)/libchemistryModel
diff --git a/src/thermophysicalModels/chemistryModel/chemistryModel/basicChemistryModel/basicChemistryModel.H b/src/thermophysicalModels/chemistryModel/chemistryModel/basicChemistryModel/basicChemistryModel.H
index c91c2975fde..17b64f542b6 100644
--- a/src/thermophysicalModels/chemistryModel/chemistryModel/basicChemistryModel/basicChemistryModel.H
+++ b/src/thermophysicalModels/chemistryModel/chemistryModel/basicChemistryModel/basicChemistryModel.H
@@ -124,6 +124,12 @@ public:
//- Chemistry activation switch
inline Switch chemistry() const;
+ //- The number of species
+ virtual label nSpecie() const = 0;
+
+ //- The number of reactions
+ virtual label nReaction() const = 0;
+
//- Return the latest estimation of integration step
inline const volScalarField::Internal& deltaTChem() const;
diff --git a/src/thermophysicalModels/chemistryModel/chemistryModel/chemistryModel/chemistryModel.H b/src/thermophysicalModels/chemistryModel/chemistryModel/chemistryModel/chemistryModel.H
index f5ee5f6f3d7..98b2ec2a915 100644
--- a/src/thermophysicalModels/chemistryModel/chemistryModel/chemistryModel/chemistryModel.H
+++ b/src/thermophysicalModels/chemistryModel/chemistryModel/chemistryModel/chemistryModel.H
@@ -141,10 +141,10 @@ public:
inline const PtrList<ThermoType>& specieThermo() const;
//- The number of species
- inline label nSpecie() const;
+ virtual inline label nSpecie() const;
//- The number of reactions
- inline label nReaction() const;
+ virtual inline label nReaction() const;
//- Temperature below which the reaction rates are assumed 0
inline scalar Treact() const;
diff --git a/src/thermophysicalModels/chemistryModel/functionObjects/specieReactionRates/specieReactionRates.C b/src/thermophysicalModels/chemistryModel/functionObjects/specieReactionRates/specieReactionRates.C
new file mode 100644
index 00000000000..5c141767714
--- /dev/null
+++ b/src/thermophysicalModels/chemistryModel/functionObjects/specieReactionRates/specieReactionRates.C
@@ -0,0 +1,202 @@
+/*---------------------------------------------------------------------------*\
+ ========= |
+ \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
+ \\ / O peration |
+ \\ / A nd | Copyright (C) 2016 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 <http://www.gnu.org/licenses/>.
+
+\*---------------------------------------------------------------------------*/
+
+#include "specieReactionRates.H"
+#include "volFields.H"
+#include "fvcVolumeIntegrate.H"
+
+// * * * * * * * * * * * * * Private Member Functions * * * * * * * * * * * //
+
+template<class ChemistryModelType>
+void Foam::functionObjects::specieReactionRates<ChemistryModelType>::
+writeFileHeader
+(
+ const label i
+)
+{
+ writeHeader(file(), "Specie reaction rates");
+ writeHeaderValue(file(), "nSpecie", chemistryModel_.nSpecie());
+ writeHeaderValue(file(), "nReaction", chemistryModel_.nReaction());
+
+ writeCommented(file(), "Time");
+ writeTabbed(file(), "Reaction");
+
+ const wordList& speciesNames =
+ chemistryModel_.thermo().composition().species();
+
+ forAll (speciesNames, si)
+ {
+ writeTabbed(file(), speciesNames[si]);
+ }
+
+ file() << endl;
+}
+
+
+// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
+
+template<class ChemistryModelType>
+Foam::functionObjects::specieReactionRates<ChemistryModelType>::
+specieReactionRates
+(
+ const word& name,
+ const Time& runTime,
+ const dictionary& dict
+)
+:
+ fvMeshFunctionObject(name, runTime, dict),
+ logFiles(obr_, name),
+ chemistryModel_
+ (
+ mesh_.lookupObject<ChemistryModelType>("chemistryProperties")
+ )
+{
+ resetName("specieReactionRates");
+}
+
+
+// * * * * * * * * * * * * * * * * Destructor * * * * * * * * * * * * * * * //
+
+template<class ChemistryModelType>
+Foam::functionObjects::specieReactionRates<ChemistryModelType>::
+~specieReactionRates()
+{}
+
+
+// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
+
+template<class ChemistryModelType>
+bool Foam::functionObjects::specieReactionRates<ChemistryModelType>::read
+(
+ const dictionary& dict
+)
+{
+ regionFunctionObject::read(dict);
+
+ return true;
+}
+
+
+template<class ChemistryModelType>
+bool Foam::functionObjects::specieReactionRates<ChemistryModelType>::execute()
+{
+ return true;
+}
+
+
+template<class ChemistryModelType>
+bool Foam::functionObjects::specieReactionRates<ChemistryModelType>::write()
+{
+ logFiles::write();
+
+ const label nSpecie = chemistryModel_.nSpecie();
+ const label nReaction = chemistryModel_.nReaction();
+
+ // Domain volume
+ const scalar V = gSum(mesh_.V());
+
+ for (label ri=0; ri<nReaction; ri++)
+ {
+ if (Pstream::master())
+ {
+ writeTime(file());
+ file() << token::TAB << ri;
+ }
+
+ for (label si=0; si<nSpecie; si++)
+ {
+ volScalarField::Internal RR
+ (
+ chemistryModel_.calculateRR(ri, si)
+ );
+
+ if (Pstream::master())
+ {
+ file() << token::TAB << fvc::domainIntegrate(RR).value()/V;
+ }
+ }
+
+ if (Pstream::master())
+ {
+ file() << nl;
+ }
+ }
+
+ if (Pstream::master())
+ {
+ file() << nl << endl;
+ }
+
+ return true;
+}
+
+
+// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
+
+#include "addToRunTimeSelectionTable.H"
+#include "rhoChemistryModel.H"
+#include "psiChemistryModel.H"
+
+namespace Foam
+{
+namespace functionObjects
+{
+ typedef specieReactionRates<psiChemistryModel> psiSpecieReactionRates;
+
+ defineTemplateTypeNameAndDebugWithName
+ (
+ psiSpecieReactionRates,
+ "psiSpecieReactionRates",
+ 0
+ );
+
+ addToRunTimeSelectionTable
+ (
+ functionObject,
+ psiSpecieReactionRates,
+ dictionary
+ );
+
+
+ typedef specieReactionRates<rhoChemistryModel> rhoSpecieReactionRates;
+
+ defineTemplateTypeNameAndDebugWithName
+ (
+ rhoSpecieReactionRates,
+ "rhoSpecieReactionRates",
+ 0
+ );
+
+ addToRunTimeSelectionTable
+ (
+ functionObject,
+ rhoSpecieReactionRates,
+ dictionary
+ );
+}
+}
+
+
+// ************************************************************************* //
diff --git a/src/thermophysicalModels/chemistryModel/functionObjects/specieReactionRates/specieReactionRates.H b/src/thermophysicalModels/chemistryModel/functionObjects/specieReactionRates/specieReactionRates.H
new file mode 100644
index 00000000000..65bd9645535
--- /dev/null
+++ b/src/thermophysicalModels/chemistryModel/functionObjects/specieReactionRates/specieReactionRates.H
@@ -0,0 +1,126 @@
+/*---------------------------------------------------------------------------*\
+ ========= |
+ \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
+ \\ / O peration |
+ \\ / A nd | Copyright (C) 2016 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 <http://www.gnu.org/licenses/>.
+
+Class
+ Foam::functionObjects::specieReactionRates
+
+Group
+ grpFieldFunctionObjects
+
+Description
+ Writes the domain averaged reaction rates for each specie for each reaction
+ into the file \<timeDir\>/specieReactionRates.dat
+
+See also
+ Foam::functionObjects::fvMeshFunctionObject
+ Foam::functionObjects::logFiles
+
+SourceFiles
+ specieReactionRates.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef functionObjects_specieReactionRates_H
+#define functionObjects_specieReactionRates_H
+
+#include "fvMeshFunctionObject.H"
+#include "logFiles.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+namespace functionObjects
+{
+
+/*---------------------------------------------------------------------------*\
+ Class specieReactionRates Declaration
+\*---------------------------------------------------------------------------*/
+
+template<class ChemistryModelType>
+class specieReactionRates
+:
+ public fvMeshFunctionObject,
+ public logFiles
+{
+ // Private Member Data
+
+ const ChemistryModelType& chemistryModel_;
+
+
+ // Private Member Functions
+
+ //- File header information
+ virtual void writeFileHeader(const label i);
+
+ //- Disallow default bitwise copy construct
+ specieReactionRates(const specieReactionRates&);
+
+ //- Disallow default bitwise assignment
+ void operator=(const specieReactionRates&);
+
+
+public:
+
+ //- Runtime type information
+ TypeName("specieReactionRates");
+
+
+ // Constructors
+
+ //- Construct from Time and dictionary
+ specieReactionRates
+ (
+ const word& name,
+ const Time& runTime,
+ const dictionary& dict
+ );
+
+
+ //- Destructor
+ virtual ~specieReactionRates();
+
+
+ // Member Functions
+
+ //- Read the specieReactionRates data
+ virtual bool read(const dictionary&);
+
+ //- Do nothing
+ virtual bool execute();
+
+ //- Write the specie reaction rates
+ virtual bool write();
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace functionObjects
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //
--
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