NonEquilibriumReversibleReaction.H

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/*---------------------------------------------------------------------------*\
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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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Class
    Foam::NonEquilibriumReversibleReaction

Description
    Simple extension of Reaction to handle reversible reactions using
    equilibrium thermodynamics.

SourceFiles
    NonEquilibriumReversibleReaction.C

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

#ifndef NonEquilibriumReversibleReaction_H
#define NonEquilibriumReversibleReaction_H

#include <specie/Reaction.H>

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

namespace Foam
{

/*---------------------------------------------------------------------------*\
                           Class NonEquilibriumReversibleReaction Declaration
\*---------------------------------------------------------------------------*/

template<class ReactionThermo, class ReactionRate>
class NonEquilibriumReversibleReaction
:
    public Reaction<ReactionThermo>
{
    // Private data

        ReactionRate fk_;
        ReactionRate rk_;


    // Private Member Functions

        //- Disallow default bitwise assignment
        void operator=
        (
            const NonEquilibriumReversibleReaction
                <ReactionThermo, ReactionRate>&
        );


public:

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


    // Constructors

        //- Construct from components
        NonEquilibriumReversibleReaction
        (
            const Reaction<ReactionThermo>& reaction,
            const ReactionRate& forwardReactionRate,
            const ReactionRate& reverseReactionRate
        );

        //- Construct as copy given new speciesTable
        NonEquilibriumReversibleReaction
        (
            const NonEquilibriumReversibleReaction
                <ReactionThermo, ReactionRate>&,
            const speciesTable& species
        );

        //- Construct from Istream
        NonEquilibriumReversibleReaction
        (
            const speciesTable& species,
            const HashPtrTable<ReactionThermo>& thermoDatabase,
            Istream& is
        );

        //- Construct and return a clone
        virtual autoPtr<Reaction<ReactionThermo> > clone() const
        {
            return autoPtr<Reaction<ReactionThermo> >
            (
                new NonEquilibriumReversibleReaction
                    <ReactionThermo, ReactionRate>(*this)
            );
        }

        //- Construct and return a clone with new speciesTable
        virtual autoPtr<Reaction<ReactionThermo> > clone
        (
            const speciesTable& species
        ) const
        {
            return autoPtr<Reaction<ReactionThermo> >
            (
                new NonEquilibriumReversibleReaction
                    <ReactionThermo, ReactionRate>
                    (*this, species)
            );
        }


    // Destructor

        virtual ~NonEquilibriumReversibleReaction()
        {}


    // Member Functions

        // NonEquilibriumReversibleReaction rate coefficients

            //- Forward rate constant
            virtual scalar kf
            (
                const scalar T,
                const scalar p,
                const scalarField& c
            ) const;

            //- Reverse rate constant from the given formard rate constant
            virtual scalar kr
            (
                const scalar kfwd,
                const scalar T,
                const scalar p,
                const scalarField& c
            ) const;

            //- Reverse rate constant.
            //  Note this evaluates the forward rate constant and divides by the
            //  equilibrium constant
            virtual scalar kr
            (
                const scalar T,
                const scalar p,
                const scalarField& c
            ) const;


        //- Write
        virtual void write(Ostream&) const;
};


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

} // End namespace Foam

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

#ifdef NoRepository
#   include <specie/NonEquilibriumReversibleReaction.C>
#endif

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

#endif

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