fluxLimitedLangmuirHinshelwoodReactionRate.H

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Class
    Foam::fluxLimitedLangmuirHinshelwoodReactionRate
 
Description
    Langmuir-Hinshelwood reaction rate for gaseous reactions on surfaces
    including the optional flux limiter of Waletzko and Schmidt.
 
    References:
    \verbatim
        Hinshelwood, C.N. (1940).
        The Kinetics of Chemical Change.
        Oxford Clarendon Press
 
        Waletzko, N., & Schmidt, L. D. (1988).
        Modeling catalytic gauze reactors: HCN synthesis.
        AIChE journal, 34(7), 1146-1156.
    \endverbatim
 
SourceFiles
    fluxLimitedLangmuirHinshelwoodReactionRateI.H
 
\*---------------------------------------------------------------------------*/
 
#ifndef fluxLimitedLangmuirHinshelwoodReactionRate_H
#define fluxLimitedLangmuirHinshelwoodReactionRate_H
 
#include "speciesTable.H"
#include "volFields.H"
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
namespace Foam
{
 
// Forward declaration of friend functions and operators
 
class fluxLimitedLangmuirHinshelwoodReactionRate;
 
Ostream& operator<<
(
    Ostream&,
    const fluxLimitedLangmuirHinshelwoodReactionRate&
);
 
 
/*---------------------------------------------------------------------------*\
         Class fluxLimitedLangmuirHinshelwoodReactionRate Declaration
\*---------------------------------------------------------------------------*/
 
class fluxLimitedLangmuirHinshelwoodReactionRate
{
    // Private data
 
        //- Number reactants (1 or 2)
        label nReactants_;
 
        //- Additional adsorbable specie names
        wordList additionalAdsorbableSpecieNames_;
 
        //- Reactant and additional adsorbable specie indices
        labelList ra_;
 
        //- ?
        scalar a_;
 
        //- Pre-exponential factor
        scalarList A_;
 
        //- Activation temperature
        scalarList Ta_;
 
        //- Temperature exponent
        scalarList beta_;
 
        //- ?
        scalarList m_;
 
        //- Is the reaction limited?
        bool limited_;
 
        //- Is the surface area per unit volume a uniform value?
        bool AvUniform_;
 
        //- Surface area per unit volume uniform value
        scalar Av_;
 
        //- Surface area per unit volume field name
        const word AvName_;
 
        //- ?
        scalarList nu_;
 
        //- ?
        scalarList exp_;
 
        //- ?
        scalarList s_;
 
        //- ?
        scalarList W_;
 
        //- Reference to the object registry
        const objectRegistry& ob_;
 
        //- Surface area per unit volume field
        mutable tmp<volScalarField::Internal> tAv_;
 
 
    // Private Member Functions
 
        //- Return either the uniform Av value or the field element
        inline scalar Av(const label li) const;
 
 
public:
 
    // Constructors
 
        //- Construct from dictionary
        inline fluxLimitedLangmuirHinshelwoodReactionRate
        (
            const speciesTable& species,
            const objectRegistry& ob,
            const dictionary& dict
        );
 
 
    // Member Functions
 
        //- Return the type name
        static word type()
        {
            return "fluxLimitedLangmuirHinshelwood";
        }
 
        //- 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;
 
        inline bool hasDdc() const;
 
        inline void ddc
        (
            const scalar p,
            const scalar T,
            const scalarField& c,
            const label li,
            scalarField& ddc
        ) const;
 
        //- Write to stream
        inline void write(Ostream& os) const;
 
 
    // Ostream Operator
 
        inline friend Ostream& operator<<
        (
            Ostream&,
            const fluxLimitedLangmuirHinshelwoodReactionRate&
        );
};
 
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
} // End namespace Foam
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
#include "fluxLimitedLangmuirHinshelwoodReactionRateI.H"
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
#endif
 
// ************************************************************************* //