StandardChemistryModel.H

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Class
    Foam::StandardChemistryModel

Description
    Extends base chemistry model by adding a thermo package, and ODE functions.
    Introduces chemistry equation system and evaluation of chemical source
    terms.

SourceFiles
    StandardChemistryModelI.H
    StandardChemistryModel.C

\*---------------------------------------------------------------------------*/

#ifndef StandardChemistryModel_H
#define StandardChemistryModel_H

#include "BasicChemistryModel.H"
#include "ReactionList.H"
#include "ODESystem.H"
#include "volFields.H"

// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

namespace Foam
{

// Forward declaration of classes
class fvMesh;

/*---------------------------------------------------------------------------*\
                      Class StandardChemistryModel Declaration
\*---------------------------------------------------------------------------*/

template<class ReactionThermo, class ThermoType>
class StandardChemistryModel
:
    public BasicChemistryModel<ReactionThermo>,
    public ODESystem
{
    // Private Member Functions

        //- Solve the reaction system for the given time step
        //  of given type and return the characteristic time
        template<class DeltaTType>
        scalar solve(const DeltaTType& deltaT);


protected:

    typedef ThermoType thermoType;


    // Protected data

        //- Reference to the field of specie mass fractions
        const PtrList<volScalarField>& Y_;

        //- Thermodynamic data of the species
        const PtrList<ThermoType>& specieThermos_;

        //- Reactions
        const ReactionList<ThermoType> reactions_;

        //- Number of species
        label nSpecie_;

        //- Number of reactions
        label nReaction_;

        //- Temperature below which the reaction rates are assumed 0
        scalar Treact_;

        //- List of reaction rate per specie [kg/m^3/s]
        PtrList<volScalarField::Internal> RR_;

        //- Temporary concentration field
        mutable scalarField c_;

        //- Temporary rate-of-change of concentration field
        mutable scalarField dcdt_;


    // Protected Member Functions

        //- Write access to chemical source terms
        //  (e.g. for multi-chemistry model)
        inline PtrList<volScalarField::Internal>& RR();


public:

    //- Runtime type information
    TypeName("standard");


    // Constructors

        //- Construct from thermo
        StandardChemistryModel(const ReactionThermo& thermo);

        //- Disallow default bitwise copy construction
        StandardChemistryModel(const StandardChemistryModel&);


    //- Destructor
    virtual ~StandardChemistryModel();


    // Member Functions

        //- The reactions
        inline const PtrList<Reaction<ThermoType>>& reactions() const;

        //- Thermodynamic data of the species
        inline const PtrList<ThermoType>& specieThermos() const;

        //- The number of species
        virtual inline label nSpecie() const;

        //- The number of reactions
        virtual inline label nReaction() const;

        //- Temperature below which the reaction rates are assumed 0
        inline scalar Treact() const;

        //- Temperature below which the reaction rates are assumed 0
        inline scalar& Treact();

        //- dc/dt = omega, rate of change in concentration, for each species
        virtual void omega
        (
            const scalar p,
            const scalar T,
            const scalarField& c,
            const label li,
            scalarField& dcdt
        ) const;


        //- Return the reaction rate for iReaction and the reference
        //  species and characteristic times
        virtual scalar omegaI
        (
            label iReaction,
            const scalar p,
            const scalar T,
            const scalarField& c,
            const label li,
            scalar& pf,
            scalar& cf,
            label& lRef,
            scalar& pr,
            scalar& cr,
            label& rRef
        ) const;

        //- Calculates the reaction rates
        virtual void calculate();


        // Chemistry model functions (overriding abstract functions in
        // basicChemistryModel.H)

            //- Return const access to the chemical source terms for specie, i
            inline const volScalarField::Internal& RR
            (
                const label i
            ) const;

            //- Return non const access to chemical source terms [kg/m^3/s]
            virtual volScalarField::Internal& RR
            (
                const label i
            );

            //- Return reaction rate of the speciei in reactionI
            virtual tmp<volScalarField::Internal> calculateRR
            (
                const label reactionI,
                const label speciei
            ) const;

            //- 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);

            //- Return the chemical time scale
            virtual tmp<volScalarField> tc() const;

            //- Return the heat release rate [kg/m/s^3]
            virtual tmp<volScalarField> Qdot() const;


        // ODE functions (overriding abstract functions in ODE.H)

            //- Number of ODE's to solve
            inline virtual label nEqns() const;

            virtual void derivatives
            (
                const scalar t,
                const scalarField& c,
                const label li,
                scalarField& dcdt
            ) const;

            virtual void jacobian
            (
                const scalar t,
                const scalarField& c,
                const label li,
                scalarField& dcdt,
                scalarSquareMatrix& J
            ) const;

            virtual void solve
            (
                scalar& p,
                scalar& T,
                scalarField& c,
                const label li,
                scalar& deltaT,
                scalar& subDeltaT
            ) const = 0;


    // Member Operators

        //- Disallow default bitwise assignment
        void operator=(const StandardChemistryModel&) = delete;
};


// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

} // End namespace Foam

// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

#include "StandardChemistryModelI.H"

// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

#ifdef NoRepository
    #include "StandardChemistryModel.C"
#endif

// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

#endif

// ************************************************************************* //