LangmuirHinshelwoodReactionRate.H

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Class
    Foam::LangmuirHinshelwoodReactionRate

Description
    Langmuir-Hinshelwood reaction rate for gaseous reactions on surfaces.

    Reference:
    \verbatim
        Hinshelwood, C.N. (1940).
        The Kinetics of Chemical Change.
        Oxford Clarendon Press
    \endverbatim

SourceFiles
    LangmuirHinshelwoodReactionRateI.H

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

#ifndef LangmuirHinshelwoodReactionRate_H
#define LangmuirHinshelwoodReactionRate_H

#include "scalarField.H"
#include "typeInfo.H"

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

namespace Foam
{

// Forward declaration of friend functions and operators

class LangmuirHinshelwoodReactionRate;

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


/*---------------------------------------------------------------------------*\
               Class LangmuirHinshelwoodReactionRate Declaration
\*---------------------------------------------------------------------------*/

class LangmuirHinshelwoodReactionRate
{
    // Private Data

        //- Reactant names
        FixedList<word, 2> reactantNames_;

        //- Reactant indices
        FixedList<label, 3> r_;

        scalar a_;
        FixedList<scalar, 3> A_;
        FixedList<scalar, 3> Ta_;
        FixedList<scalar, 3> beta_;
        FixedList<scalar, 3> m_;


public:

    // Constructors

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


    // Member Functions

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

        //- 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;

        //- 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 LangmuirHinshelwoodReactionRate&
        );
};


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

} // End namespace Foam

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

#include "LangmuirHinshelwoodReactionRateI.H"

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

#endif

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