ODEChemistryModel.H

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License
    This file is part of OpenFOAM.

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Class
    Foam::ODEChemistryModel

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

SourceFiles
    ODEChemistryModelI.H
    ODEChemistryModel.C

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

#ifndef ODEChemistryModel_H
#define ODEChemistryModel_H

#include <specie/Reaction.H>
#include <ODE/ODE.H>
#include <finiteVolume/volFieldsFwd.H>

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

namespace Foam
{

// Forward declaration of classes
class fvMesh;

template<class CompType, class ThermoType>
class chemistrySolver;

/*---------------------------------------------------------------------------*\
                      Class ODEChemistryModel Declaration
\*---------------------------------------------------------------------------*/

template<class CompType, class ThermoType>
class ODEChemistryModel
:
    public CompType,
    public ODE
{
    // Private Member Functions

        //- Disallow default bitwise assignment
        void operator=(const ODEChemistryModel&);


protected:

    // Private data

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

        //- Reactions
        const PtrList<Reaction<ThermoType> >& reactions_;

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

        //- Number of species
        label nSpecie_;

        //- Number of reactions
        label nReaction_;

        //- Chemistry solver
        autoPtr<chemistrySolver<CompType, ThermoType> > solver_;

        //- Chemical source term [kg/m3/s]
        PtrList<scalarField> RR_;


    // Protected Member Functions

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


public:

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


    // Constructors

        //- Construct from components
        ODEChemistryModel
        (
            const fvMesh& mesh,
            const word& compTypeName,
            const word& thermoTypeName
        );


    //- Destructor
    virtual ~ODEChemistryModel();


    // Member Functions

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

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

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

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

        //- Return the chemisty solver
        inline const chemistrySolver<CompType, ThermoType>& solver() const;

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

        //- Return the reaction rate for reaction r and the reference
        //  species and charateristic 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;

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


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

            //- Return const access to the chemical source terms
            inline tmp<volScalarField> RR(const label i) const;

            //- Solve the reaction system for the given start time and time
            //  step and return the characteristic time
            virtual scalar solve(const scalar t0, const scalar deltaT);

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

            //- Return source for enthalpy equation [kg/m/s3]
            virtual tmp<volScalarField> Sh() const;

            //- Return the heat release, i.e. enthalpy/sec [m2/s3]
            virtual tmp<volScalarField> dQ() const;


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

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

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

            virtual void jacobian
            (
                const scalar t,
                const scalarField& c,
                scalarField& dcdt,
                scalarSquareMatrix& dfdc
            ) const;
};


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

} // End namespace Foam

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

#include "ODEChemistryModelI.H"

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

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

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

#endif

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