reactionsSensitivityAnalysis.H

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/*---------------------------------------------------------------------------*\
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    \\  /    A nd           | www.openfoam.com
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-------------------------------------------------------------------------------
    Copyright (C) 2016-2020 OpenCFD Ltd.
-------------------------------------------------------------------------------
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::reactionsSensitivityAnalysis
 
Group
    grpFieldFunctionObjects grpThermophysicalFunctionObjects
 
Description
    Computes indicators for reaction rates of creation or destruction
    of species in each reaction.
 
    This function object creates four data files named:
 
    - \c consumption   :   consumption rate
    - \c production    :   destruction rate
    - \c productionInt  :   integral between dumps of the production rate
    - \c consumptionInt :   integral between dumps of the consumption rate
 
    Operands:
    \table
      Operand        | Type | Location
      input          | -    | -
      output file    | dat  | postProcessing/<FO>/<time>/file
      output field   | -    | -
    \endtable
 
Usage
    Minimal example by using \c system/controlDict.functions:
    \verbatim
    reactionSensitivityAnalysisFO
    {
        // Mandatory entries
        type            reactionSensitivityAnalysis;
        libs            (fieldFunctionObjects);
 
        // Inherited entries
        ...
    }
    \endverbatim
 
    where the entries mean:
    \table
      Property  | Description                             | Type | Reqd  | Deflt
      type      | Type name: reactionSensitivityAnalysis  | word |  yes  | -
      libs      | Library name: fieldFunctionObjects      | word |  yes  | -
    \endtable
 
    The inherited entries are elaborated in:
      - \link functionObject.H \endlink
      - \link writeFile.H \endlink
 
Note
    - Function object only applicable to single cell cases.
    - Needs a \c chemistryModel chosen.
 
SourceFiles
    reactionsSensitivityAnalysis.C
    reactionsSensitivityAnalysisObjects.C
 
\*---------------------------------------------------------------------------*/
 
#ifndef functionObjescts_reactionsSensitivityAnalysis_H
#define functionObjescts_reactionsSensitivityAnalysis_H
 
#include "fvMeshFunctionObject.H"
#include "writeFile.H"
#include "volFieldsFwd.H"
#include "basicChemistryModel.H"
#include "autoPtr.H"
#include "basicMultiComponentMixture.H"
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
namespace Foam
{
namespace functionObjects
{
 
/*---------------------------------------------------------------------------*\
                Class reactionsSensitivityAnalysis Declaration
\*---------------------------------------------------------------------------*/
 
template<class chemistryType>
class reactionsSensitivityAnalysis
:
    public fvMeshFunctionObject,
    public writeFile
{
    // Private Data
 
        //- Number of reactions
        label nReactions_;
 
        //- Start time of integration
        scalar startTime_;
 
        //- End time of integration
        scalar endTime_;
 
        //- List list for species production
        scalarListList production_;
 
        //- List list for species consumption
        scalarListList consumption_;
 
        //- List list for species production integral
        scalarListList productionInt_;
 
        //- List list for species consumption integral
        scalarListList consumptionInt_;
 
        //- Word list of species
        wordList speciesNames_;
 
         // File streams
 
            //- Integrated coefficients
            autoPtr<OFstream> prodFilePtr_;
 
            //- Moment coefficient
            autoPtr<OFstream> consFilePtr_;
 
            //- Drag coefficient
            autoPtr<OFstream> prodIntFilePtr_;
 
            //- Lift coefficient
            autoPtr<OFstream> consIntFilePtr_;
 
 
    // Private Member Functions
 
        //- Create file names for forces and bins
        void createFileNames();
 
        //- Output file header information
        void writeFileHeader(OFstream& os);
 
        //- Calculate production and destruction of each species
        void calculateSpeciesRR(const basicChemistryModel&);
 
        //- Write species production/consumption rates
        void writeSpeciesRR();
 
 
public:
 
    //- Runtime type information
    TypeName("reactionsSensitivityAnalysis");
 
 
    // Constructors
 
        //- Construct from name, Time and dictionary
        reactionsSensitivityAnalysis
        (
            const word& name,
            const Time& runTime,
            const dictionary& dict
        );
 
        //- No copy construct
        reactionsSensitivityAnalysis
        (
            const reactionsSensitivityAnalysis&
        ) = delete;
 
        //- No copy assignment
        void operator=(const reactionsSensitivityAnalysis&) = delete;
 
 
    //- Destructor
    virtual ~reactionsSensitivityAnalysis() = default;
 
 
    // Member Functions
 
        //- Read the function-object dictionary
        virtual bool read(const dictionary& dict);
 
        //- Execute the function-object operations
        virtual bool execute();
 
        //- Write the function-object results
        virtual bool write();
};
 
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
} // End namespace functionObjects
} // End namespace Foam
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
#ifdef NoRepository
#   include "reactionsSensitivityAnalysis.C"
#endif
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
#endif
 
// ************************************************************************* //