TDACChemistryModel.H

Go to the documentation of this file.

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    Copyright (C) 2016-2017 OpenFOAM Foundation
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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.
 
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    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::TDACChemistryModel
 
Description
    Extends StandardChemistryModel by adding the TDAC method.
 
    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
    TDACChemistryModelI.H
    TDACChemistryModel.C
 
\*---------------------------------------------------------------------------*/
 
#ifndef TDACChemistryModel_H
#define TDACChemistryModel_H
 
#include "StandardChemistryModel.H"
#include "chemistryReductionMethod.H"
#include "chemistryTabulationMethod.H"
#include "OFstream.H"
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
namespace Foam
{
 
/*---------------------------------------------------------------------------*\
                      Class TDACChemistryModel Declaration
\*---------------------------------------------------------------------------*/
 
template<class ReactionThermo, class ThermoType>
class TDACChemistryModel
:
    public StandardChemistryModel<ReactionThermo, ThermoType>
{
    // Private Member Data
 
        bool variableTimeStep_;
 
        label timeSteps_;
 
        // Mechanism reduction
        label NsDAC_;
        scalarField completeC_;
        scalarField simplifiedC_;
        Field<bool> reactionsDisabled_;
        List<List<specieElement>> specieComp_;
        Field<label> completeToSimplifiedIndex_;
        DynamicList<label> simplifiedToCompleteIndex_;
        autoPtr<chemistryReductionMethod<ReactionThermo, ThermoType>>
            mechRed_;
 
        // Tabulation
        autoPtr<chemistryTabulationMethod<ReactionThermo, ThermoType>>
            tabulation_;
 
        // Log file for the average time spent reducing the chemistry
        autoPtr<OFstream> cpuReduceFile_;
 
        // Write average number of species
        autoPtr<OFstream> nActiveSpeciesFile_;
 
        //- Log file for the average time spent adding tabulated data
        autoPtr<OFstream> cpuAddFile_;
 
        //- Log file for the average time spent growing tabulated data
        autoPtr<OFstream> cpuGrowFile_;
 
        //- Log file for the average time spent retrieving tabulated data
        autoPtr<OFstream> cpuRetrieveFile_;
 
        //- Log file for average time spent solving the chemistry
        autoPtr<OFstream> cpuSolveFile_;
 
        // Field containing information about tabulation:
        // 0 -> add (direct integration)
        // 1 -> grow
        // 2 -> retrieve
        volScalarField tabulationResults_;
 
 
    // Private Member Functions
 
        //- No copy construct
        TDACChemistryModel(const TDACChemistryModel&) = delete;
 
        //- No copy assignment
        void operator=(const TDACChemistryModel&) = delete;
 
        //- Solve the reaction system for the given time step
        //  of given type and return the characteristic time
        //  Variable number of species added
        template<class DeltaTType>
        scalar solve(const DeltaTType& deltaT);
 
 
public:
 
    //- Runtime type information
    TypeName("TDAC");
 
 
    // Constructors
 
        //- Construct from thermo
        TDACChemistryModel(ReactionThermo& thermo);
 
 
    //- Destructor
    virtual ~TDACChemistryModel();
 
 
    // Member Functions
 
        //- Return true if the time-step is variable and/or non-uniform
        inline bool variableTimeStep() const;
 
        //- Return the number of chemistry evaluations (used by ISAT)
        inline label timeSteps() const;
 
        //- Create and return a TDAC log file of the given name
        inline autoPtr<OFstream> logFile(const word& name) const;
 
        inline PtrList<volScalarField>& Y();
 
        //- dc/dt = omega, rate of change in concentration, for each species
        virtual void omega
        (
            const scalarField& c,
            const scalar T,
            const scalar p,
            scalarField& dcdt
        ) const;
 
        //- Return the reaction rate for reaction r and the reference
        //  species and characteristic times
        virtual scalar omega
        (
            const Reaction<ThermoType>& r,
            const scalarField& c,
            const scalar T,
            const scalar p,
            scalar& pf,
            scalar& cf,
            label& lRef,
            scalar& pr,
            scalar& cr,
            label& rRef
        ) const;
 
 
        // Chemistry model functions (overriding functions in
        // StandardChemistryModel to use the private solve function)
 
            //- Solve the reaction system for the given time step
            //  and return the characteristic time
            virtual scalar solve(const scalar deltaT);
 
            //- Solve the reaction system for the given time step
            //  and return the characteristic time
            virtual scalar solve(const scalarField& deltaT);
 
 
        // ODE functions (overriding functions in StandardChemistryModel to take
        // into account the variable number of species)
 
            virtual void derivatives
            (
                const scalar t,
                const scalarField& c,
                scalarField& dcdt
            ) const;
 
            //- Pure jacobian function for tabulation
            void jacobian
            (
                const scalar t,
                const scalarField& c,
                scalarSquareMatrix& dfdc
            ) const;
 
            virtual void jacobian
            (
                const scalar t,
                const scalarField& c,
                scalarField& dcdt,
                scalarSquareMatrix& dfdc
            ) const;
 
            virtual void solve
            (
                scalarField& c,
                scalar& T,
                scalar& p,
                scalar& deltaT,
                scalar& subDeltaT
            ) const = 0;
 
 
        // Mechanism reduction access functions
 
            inline void setNsDAC(const label newNsDAC);
 
            inline void setNSpecie(const label newNs);
 
            inline scalarField& completeC();
 
            inline scalarField& simplifiedC();
 
            inline Field<bool>& reactionsDisabled();
 
            inline bool active(const label i) const;
 
            inline void setActive(const label i);
 
            inline DynamicList<label>& simplifiedToCompleteIndex();
 
            inline Field<label>& completeToSimplifiedIndex();
 
            inline const Field<label>& completeToSimplifiedIndex() const;
 
            inline List<List<specieElement>>& specieComp();
 
            inline
                autoPtr<chemistryReductionMethod<ReactionThermo, ThermoType>>&
                mechRed();
 
            tmp<volScalarField> tabulationResults() const
            {
                return tabulationResults_;
            }
 
            void setTabulationResultsAdd(const label celli);
 
            void setTabulationResultsGrow(const label celli);
 
            void setTabulationResultsRetrieve(const label celli);
 
            inline void resetTabulationResults();
};
 
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
} // End namespace Foam
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
#include "TDACChemistryModelI.H"
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
#ifdef NoRepository
    #include "TDACChemistryModel.C"
#endif
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
#endif
 
// ************************************************************************* //