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_;
 
 
public:
 
    // Constructors
 
        //- Construct from dictionary
        inline MichaelisMentenReactionRate
        (
            const speciesTable& species,
            const dimensionSet& dims,
            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;
 
        //- Return the rate
        inline scalar operator()
        (
            const scalar p,
            const scalar T,
            const scalarField& c,
            const label li
        ) const;
 
        //- The derivative of the rate w.r.t. temperature
        inline scalar ddT
        (
            const scalar p,
            const scalar T,
            const scalarField& c,
            const label li
        ) const;
 
        //- Is the rate a function of concentration?
        inline bool hasDdc() const;
 
        //- The derivative of the rate w.r.t. concentration
        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 MichaelisMentenReactionRate&
        );
};
 
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
} // End namespace Foam
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
#include "MichaelisMentenReactionRateI.H"
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
#endif
 
// ************************************************************************* //