chemistryReductionMethod.H

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License
    This file is part of OpenFOAM.
 
    OpenFOAM is free software: you can redistribute it and/or modify it
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    You should have received a copy of the GNU General Public License
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Class
    Foam::chemistryReductionMethod
 
Description
    An abstract class for methods of chemical mechanism reduction
 
    References:
    \verbatim
        Contino, F., Jeanmart, H., Lucchini, T., & D’Errico, G. (2011).
        Coupling of in situ adaptive tabulation and dynamic adaptive chemistry:
        An effective method for solving combustion in engine simulations.
        Proceedings of the Combustion Institute, 33(2), 3057-3064.
 
        Contino, F., Lucchini, T., D'Errico, G., Duynslaegher, C.,
        Dias, V., & Jeanmart, H. (2012).
        Simulations of advanced combustion modes using detailed chemistry
        combined with tabulation and mechanism reduction techniques.
        SAE International Journal of Engines,
        5(2012-01-0145), 185-196.
 
        Contino, F., Foucher, F., Dagaut, P., Lucchini, T., D’Errico, G., &
        Mounaïm-Rousselle, C. (2013).
        Experimental and numerical analysis of nitric oxide effect on the
        ignition of iso-octane in a single cylinder HCCI engine.
        Combustion and Flame, 160(8), 1476-1483.
 
        Contino, F., Masurier, J. B., Foucher, F., Lucchini, T., D’Errico, G., &
        Dagaut, P. (2014).
        CFD simulations using the TDAC method to model iso-octane combustion
        for a large range of ozone seeding and temperature conditions
        in a single cylinder HCCI engine.
        Fuel, 137, 179-184.
    \endverbatim
 
SourceFiles
    chemistryReductionMethod.C
    chemistryReductionMethods.C
    chemistryReductionMethodNew.C
    chemistryReductionMethodI.H
 
\*---------------------------------------------------------------------------*/
 
#ifndef chemistryReductionMethod_H
#define chemistryReductionMethod_H
 
#include "dictionary.H"
#include "DynamicField.H"
#include "boolList.H"
#include "Switch.H"
#include "cpuTime.H"
#include "OFstream.H"
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
namespace Foam
{
 
namespace chemistryModels
{
    template<class ThermoType>
    class Standard;
}
 
/*---------------------------------------------------------------------------*\
                   Class chemistryReductionMethod Declaration
\*---------------------------------------------------------------------------*/
 
template<class ThermoType>
class chemistryReductionMethod
{
protected:
 
    // Protected Data
 
        //- Reference to the chemistry model
        chemistryModels::Standard<ThermoType>& chemistry_;
 
        //- Total number of species
        const label nSpecie_;
 
        //- Number of active species
        label nActiveSpecies_;
 
        //- List of disabled reactions (disabled = true)
        Field<bool> reactionsDisabled_;
 
        //- List of active species (active = true)
        boolList activeSpecies_;
 
 
    //- Protected Member Functions
 
        const dictionary& coeffDict(const dictionary& dict) const
        {
            return dict.subDict("reduction");
        }
 
        //- Initialise reduction of the mechanism
        void initReduceMechanism();
 
        //- End reduction of the mechanism
        void endReduceMechanism(List<label>& ctos, DynamicList<label>& stoc);
 
 
private:
 
    // Private Data
 
        //- Switch to select performance logging
        Switch log_;
 
        //- Tolerance for the mechanism reduction algorithm
        scalar tolerance_;
 
        //- CPU time for logging
        cpuTime cpuTime_;
 
        //- ...
        int64_t sumnActiveSpecies_;
 
        //- ...
        int64_t sumn_;
 
        //- ...
        scalar reduceMechCpuTime_;
 
        // Log file for the average time spent reducing the chemistry
        autoPtr<OFstream> cpuReduceFile_;
 
        // Write average number of species
        autoPtr<OFstream> nActiveSpeciesFile_;
 
 
public:
 
    //- Runtime type information
    TypeName("chemistryReductionMethod");
 
 
    // Declare runtime constructor selection table
    declareRunTimeSelectionTable
    (
        autoPtr,
        chemistryReductionMethod,
        dictionary,
        (
            const dictionary& dict,
            chemistryModels::Standard<ThermoType>& chemistry
        ),
        (dict, chemistry)
    );
 
 
    // Constructors
 
        //- Construct from components
        chemistryReductionMethod
        (
            chemistryModels::Standard<ThermoType>& chemistry
        );
 
        //- Construct from components
        chemistryReductionMethod
        (
            const dictionary& dict,
            chemistryModels::Standard<ThermoType>& chemistry
        );
 
 
    // Selector
 
        static autoPtr<chemistryReductionMethod<ThermoType>> New
        (
            const dictionary& dict,
            chemistryModels::Standard<ThermoType>& chemistry
        );
 
 
    //- Destructor
    virtual ~chemistryReductionMethod();
 
 
    // Member Functions
 
        //- Return mechanism reduction active
        virtual bool active() const
        {
            return true;
        }
 
        //- Return the number of species
        inline label nSpecie();
 
        //- Return the number of active species
        inline label nActiveSpecies() const;
 
        //- Return the tolerance
        inline scalar tolerance() const;
 
        //- Return the active species
        inline const boolList& activeSpecies() const;
 
        //- Return whether or not a reaction is disabled
        inline bool reactionDisabled(const label i) const;
 
        //- Reduce the mechanism
        virtual void reduceMechanism
        (
            const scalar p,
            const scalar T,
            const scalarField& c,
            List<label>& ctos,
            DynamicList<label>& stoc,
            const label li
        ) = 0;
 
        //- ...
        virtual void update();
};
 
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
} // End namespace Foam
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
#include "chemistryReductionMethodI.H"
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
#ifdef NoRepository
    #include "chemistryReductionMethod.C"
    #include "chemistryReductionMethodNew.C"
#endif
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
#endif
 
// ************************************************************************* //