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"
#include "multiComponentMixture.H"

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

namespace Foam
{

// Forward declaration of classes
class fvMesh;

/*---------------------------------------------------------------------------*\
                   Class standardChemistryModel Declaration
\*---------------------------------------------------------------------------*/

template<class ThermoType>
class standardChemistryModel
:
    public basicChemistryModel,
    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:

    // Protected classes

        //- Class to define scope of reaction evaluation. Runs pre-evaluate
        //  hook on all reactions on construction and post-evaluate on
        //  destruction.
        class reactionEvaluationScope
        {
            const standardChemistryModel<ThermoType>& chemistry_;

        public:

            reactionEvaluationScope
            (
                const standardChemistryModel<ThermoType>& chemistry
            )
            :
                chemistry_(chemistry)
            {
                forAll(chemistry_.reactions_, i)
                {
                    chemistry_.reactions_[i].preEvaluate();
                }
            }

            ~reactionEvaluationScope()
            {
                forAll(chemistry_.reactions_, i)
                {
                    chemistry_.reactions_[i].postEvaluate();
                }
            }
        };


    // Protected data

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

        //- Reference to the multi component mixture
        const multiComponentMixture<ThermoType>& mixture_;

        //- 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 fluidReactionThermo& thermo);

        //- Disallow default bitwise copy construction
        standardChemistryModel(const standardChemistryModel&) = delete;


    //- Destructor
    virtual ~standardChemistryModel();


    // Member Functions

        //- Return reference to the mixture
        inline const multiComponentMixture<ThermoType>& mixture() const;

        //- 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;

        //- 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

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