MichaelisMentenReactionRate.H

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Class
    Foam::MichaelisMentenReactionRate

Description
    Michaelis-Menten reaction rate for enzymatic reactions.

    Reference:
    \verbatim
        Michaelis, L., & Menten, M. L. (1913).
        Die Kinetik der InwertinWirkung.
        Biochem., (49), 333-369.
    \endverbatim

SourceFiles
    MichaelisMentenReactionRateI.H

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

#ifndef MichaelisMentenReactionRate_H
#define MichaelisMentenReactionRate_H

#include "Reaction.H"

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

namespace Foam
{

// Forward declaration of friend functions and operators

class MichaelisMentenReactionRate;

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


/*---------------------------------------------------------------------------*\
                 Class MichaelisMentenReactionRate Declaration
\*---------------------------------------------------------------------------*/

class MichaelisMentenReactionRate
{
    // Private Data

        //- List of species present in reaction system
        const speciesTable& species_;

        //- The maximum reaction rate at saturating substrate concentration
        scalar Vmax_;

        //- The Michaelis constant
        //  the substrate concentration at which the reaction rate is half Vmax_
        scalar Km_;

        //- The substrate specie index
        label s_;

        List<Tuple2<label, scalar>> beta_;


public:

    // Constructors

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


    // Member Functions

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

        //- 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 MichaelisMentenReactionRate&
        );
};


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

} // End namespace Foam

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

#include "MichaelisMentenReactionRateI.H"

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

#endif

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