COxidationMurphyShaddix.H

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License
    This file is part of OpenFOAM.
 
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Class
    Foam::COxidationMurphyShaddix
 
Description
    Limited to C(s) + O2 -> CO2
 
    Loosely based on the reference:
        Murphy, J. J., Shaddix, C. R., Combustion kinetics of coal chars
        in oxygen-enriched environments, Combustion and Flame 144,
        pp710-729, 2006
 
\*---------------------------------------------------------------------------*/
 
#ifndef COxidationMurphyShaddix_H
#define COxidationMurphyShaddix_H
 
#include "SurfaceReactionModel.H"
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
namespace Foam
{
 
// Forward class declarations
template<class CloudType>
class COxidationMurphyShaddix;
 
/*---------------------------------------------------------------------------*\
                   Class COxidationMurphyShaddix Declaration
\*---------------------------------------------------------------------------*/
 
template<class CloudType>
class COxidationMurphyShaddix
:
    public SurfaceReactionModel<CloudType>
{
    // Private Data
 
        // Model constants
 
            //- Reference diffusion constant
            const scalar D0_;
 
            //- Reference density for reference diffusion constant
            const scalar rho0_;
 
            //- Reference temperature for reference diffusion constant
            const scalar T0_;
 
            //- Exponent for diffusion equation
            const scalar Dn_;
 
            //- Kinetic rate coefficient
            const scalar A_;
 
            //- Kinetic rate activation energy
            const scalar E_;
 
            //- Reaction order
            const scalar n_;
 
            //- Effective molecular weight of gaseous volatiles
            const scalar WVol_;
 
 
        // Static constants
 
            //- Maximum number of iterations
            static label maxIters_;
 
            //- Tolerance used in inner iterations
            static scalar tolerance_;
 
 
        // Addressing
 
            //- Cs positions in global/local lists
            label CsLocalId_;
 
            //- O2 position in global list
            label O2GlobalId_;
 
            //- CO2 positions in global list
            label CO2GlobalId_;
 
 
        // Local copies of thermo properties
 
            //- Molecular weight of C [kg/kmol]
            scalar WC_;
 
            //- Molecular weight of O2 [kg/kmol]
            scalar WO2_;
 
            //- Formation enthalpy for CO2 [J/kg]
            scalar HcCO2_;
 
 
public:
 
    //- Runtime type information
    TypeName("COxidationMurphyShaddix");
 
 
    // Constructors
 
        //- Construct from dictionary
        COxidationMurphyShaddix
        (
            const dictionary& dict,
            CloudType& owner
        );
 
        //- Construct copy
        COxidationMurphyShaddix
        (
            const COxidationMurphyShaddix<CloudType>& srm
        );
 
        //- Construct and return a clone
        virtual autoPtr<SurfaceReactionModel<CloudType>> clone() const
        {
            return autoPtr<SurfaceReactionModel<CloudType>>
            (
                new COxidationMurphyShaddix<CloudType>(*this)
            );
        }
 
 
    //- Destructor
    virtual ~COxidationMurphyShaddix();
 
 
    // Member Functions
 
        //- Update surface reactions
        virtual scalar calculate
        (
            const scalar dt,
            const label celli,
            const scalar d,
            const scalar T,
            const scalar Tc,
            const scalar pc,
            const scalar rhoc,
            const scalar mass,
            const scalarField& YGas,
            const scalarField& YLiquid,
            const scalarField& YSolid,
            const scalarField& YMixture,
            const scalar N,
            scalarField& dMassGas,
            scalarField& dMassLiquid,
            scalarField& dMassSolid,
            scalarField& dMassSRCarrier
        ) const;
};
 
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
} // End namespace Foam
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
#ifdef NoRepository
    #include "COxidationMurphyShaddix.C"
#endif
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
#endif
 
// ************************************************************************* //