IrreversibleReaction.H

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License
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Class
    Foam::IrreversibleReaction

Description
    Simple extension of Reaction to handle irreversible reactions

SourceFiles
    IrreversibleReaction.C

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

#ifndef IrreversibleReaction_H
#define IrreversibleReaction_H

#include "Reaction.H"

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

namespace Foam
{

/*---------------------------------------------------------------------------*\
                    Class IrreversibleReaction Declaration
\*---------------------------------------------------------------------------*/

template<class ReactionThermo, class ReactionRate>
class IrreversibleReaction
:
    public Reaction<ReactionThermo>
{
    // Private Data

        ReactionRate k_;


public:

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


    // Constructors

        //- Construct from components
        IrreversibleReaction
        (
            const Reaction<ReactionThermo>& reaction,
            const ReactionRate& reactionRate
        );

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

        //- Construct from dictionary
        IrreversibleReaction
        (
            const speciesTable& species,
            const HashPtrTable<ReactionThermo>& thermoDatabase,
            const dictionary& dict
        );

        //- Construct from objectRegistry and dictionary
        IrreversibleReaction
        (
            const speciesTable& species,
            const HashPtrTable<ReactionThermo>& thermoDatabase,
            const objectRegistry& ob,
            const dictionary& dict
        );

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


    //- Destructor
    virtual ~IrreversibleReaction()
    {}


    // Member Functions

        // Hooks

            //- Pre-evaluation hook
            virtual void preEvaluate() const;

            //- Post-evaluation hook
            virtual void postEvaluate() const;


        // IrreversibleReaction rate coefficients

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

            //- Reverse rate constant from the given forward rate constant
            //  Returns 0
            virtual scalar kr
            (
                const scalar kfwd,
                const scalar p,
                const scalar T,
                const scalarField& c,
                const label li
            ) const;

            //- Reverse rate constant
            //  Returns 0
            virtual scalar kr
            (
                const scalar p,
                const scalar T,
                const scalarField& c,
                const label li
            ) const;


        // IrreversibleReaction Jacobian functions

            //- Temperature derivative of forward rate
            virtual scalar dkfdT
            (
                const scalar p,
                const scalar T,
                const scalarField& c,
                const label li
            ) const;

            //- Temperature derivative of reverse rate. Returns zero.
            virtual scalar dkrdT
            (
                const scalar p,
                const scalar T,
                const scalarField& c,
                const label li,
                const scalar dkfdT,
                const scalar kr
            ) const;

            //- Does this reaction have concentration-dependent rate constants?
            virtual bool hasDkdc() const;

            //- Concentration derivative of forward rate
            void dkfdc
            (
                const scalar p,
                const scalar T,
                const scalarField& c,
                const label li,
                scalarField& dkfdc
            ) const;

            //- Concentration derivative of reverse rate. Returns zero.
            void dkrdc
            (
                const scalar p,
                const scalar T,
                const scalarField& c,
                const label li,
                const scalarField& dkfdc,
                const scalar kr,
                scalarField& dkrdc
            ) const;


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


    // Member Operators

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


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

} // End namespace Foam

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

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

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

#endif

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