thirdBodyArrheniusReactionRate.H

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License
    This file is part of OpenFOAM.

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    the Free Software Foundation, either version 3 of the License, or
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Class
    Foam::thirdBodyArrheniusReactionRate

Description
    Arrhenius reaction rate enhanced by third-body interaction.

SourceFiles
    thirdBodyArrheniusReactionRateI.H

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

#ifndef thirdBodyArrheniusReactionRate_H
#define thirdBodyArrheniusReactionRate_H

#include "ArrheniusReactionRate.H"
#include "thirdBodyEfficiencies.H"

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

namespace Foam
{

// Forward declaration of friend functions and operators

class thirdBodyArrheniusReactionRate;

Ostream& operator<<(Ostream&, const thirdBodyArrheniusReactionRate&);


/*---------------------------------------------------------------------------*\
               Class thirdBodyArrheniusReactionRate Declaration
\*---------------------------------------------------------------------------*/

class thirdBodyArrheniusReactionRate
:
    ArrheniusReactionRate
{
    // Private Data

        thirdBodyEfficiencies thirdBodyEfficiencies_;
        List<Tuple2<label, scalar>> beta_;


public:

    // Constructors

        //- Construct from components
        inline thirdBodyArrheniusReactionRate
        (
            const scalar A,
            const scalar beta,
            const scalar Ta,
            const thirdBodyEfficiencies& tbes
        );

        //- Construct from dictionary
        inline thirdBodyArrheniusReactionRate
        (
            const speciesTable& species,
            const dictionary& dict
        );


    // Member Functions

        //- Return the type name
        static word type()
        {
            return "thirdBodyArrhenius";
        }

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

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

        inline scalar operator()
        (
            const scalar p,
            const scalar T,
            const scalarField& c,
            const label li
        ) const;

        inline scalar ddT
        (
            const scalar p,
            const scalar T,
            const scalarField& c,
            const label li
        ) const;

        //- Third-body efficiencies (beta = 1-alpha)
        //  non-empty only for third-body reactions
        //  with enhanced molecularity (alpha != 1)
        inline const List<Tuple2<label, scalar>>& beta() const
        {
            return beta_;
        }

        //- Species concentration derivative of the pressure dependent term
        inline void dcidc
        (
            const scalar p,
            const scalar T,
            const scalarField& c,
            const label li,
            scalarField& dcidc
        ) const;

        //- Temperature derivative of the pressure dependent term
        inline scalar dcidT
        (
            const scalar p,
            const scalar T,
            const scalarField& c,
            const label li
        ) const;

        //- Write to stream
        inline void write(Ostream& os) const;


    // Ostream Operator

        inline friend Ostream& operator<<
        (
            Ostream&,
            const thirdBodyArrheniusReactionRate&
        );
};


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

} // End namespace Foam

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

#include "thirdBodyArrheniusReactionRateI.H"

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

#endif

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