NonEquilibriumReversibleReaction.H

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/*---------------------------------------------------------------------------*\
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    Copyright (C) 2011-2017 OpenFOAM Foundation
    Copyright (C) 2019-2021 OpenCFD Ltd.
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License
    This file is part of OpenFOAM.
 
    OpenFOAM is free software: you can redistribute it and/or modify it
    under the terms of the GNU General Public License as published by
    the Free Software Foundation, either version 3 of the License, or
    (at your option) any later version.
 
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    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
    for more details.
 
    You should have received a copy of the GNU General Public License
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Class
    Foam::NonEquilibriumReversibleReaction
 
Group
    grpSpecieReactions
 
Description
    Simple extension of Reaction to handle reversible reactions using
    equilibrium thermodynamics.
 
SourceFiles
    NonEquilibriumReversibleReaction.C
 
\*---------------------------------------------------------------------------*/
 
#ifndef NonEquilibriumReversibleReaction_H
#define NonEquilibriumReversibleReaction_H
 
#include "Reaction.H"
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
namespace Foam
{
 
/*---------------------------------------------------------------------------*\
             Class NonEquilibriumReversibleReaction Declaration
\*---------------------------------------------------------------------------*/
 
template
<
    template<class> class ReactionType,
    class ReactionThermo,
    class ReactionRate
>
class NonEquilibriumReversibleReaction
:
    public ReactionType<ReactionThermo>
{
    // Private Data
 
        ReactionRate fk_;
        ReactionRate rk_;
 
 
    // Private Member Functions
 
        //- No copy assignment
        void operator=
        (
            const NonEquilibriumReversibleReaction
            <
                ReactionType, ReactionThermo, ReactionRate
            >&
        ) = delete;
 
 
public:
 
    //- Runtime type information
    TypeName("nonEquilibriumReversible");
 
 
    // Constructors
 
        //- Construct from components
        NonEquilibriumReversibleReaction
        (
            const ReactionType<ReactionThermo>& reaction,
            const ReactionRate& forwardReactionRate,
            const ReactionRate& reverseReactionRate
        );
 
        //- Construct as copy given new speciesTable
        NonEquilibriumReversibleReaction
        (
            const NonEquilibriumReversibleReaction
                <ReactionType, ReactionThermo, ReactionRate>&,
            const speciesTable& species
        );
 
        //- Construct from dictionary
        NonEquilibriumReversibleReaction
        (
            const speciesTable& species,
            const ReactionTable<ReactionThermo>& thermoDatabase,
            const dictionary& dict
        );
 
        //- Construct and return a clone
        virtual autoPtr<ReactionType<ReactionThermo>> clone() const
        {
            return autoPtr<ReactionType<ReactionThermo>>
            (
                new NonEquilibriumReversibleReaction
                    <ReactionType, ReactionThermo, ReactionRate>(*this)
            );
        }
 
        //- Construct and return a clone with new speciesTable
        virtual autoPtr<ReactionType<ReactionThermo>> clone
        (
            const speciesTable& species
        ) const
        {
            return autoPtr<ReactionType<ReactionThermo>>
            (
                new NonEquilibriumReversibleReaction
                    <ReactionType, ReactionThermo, ReactionRate>
                    (*this, species)
            );
        }
 
 
    //- Destructor
    virtual ~NonEquilibriumReversibleReaction() = default;
 
 
    // Member Functions
 
        // NonEquilibriumReversibleReaction rate coefficients
 
            //- Forward rate constant
            virtual scalar kf
            (
                const scalar p,
                const scalar T,
                const scalarField& c
            ) const;
 
            //- Reverse rate constant from the given formard rate constant
            virtual scalar kr
            (
                const scalar kfwd,
                const scalar p,
                const scalar T,
                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 p,
                const scalar T,
                const scalarField& c
            ) const;
 
 
        //- Write
        virtual void write(Ostream& os) const;
};
 
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
} // End namespace Foam
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
#ifdef NoRepository
    #include "NonEquilibriumReversibleReaction.C"
#endif
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
#endif
 
// ************************************************************************* //