COxidationMurphyShaddix.H

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    Copyright (C) 2011-2016 OpenFOAM Foundation
    Copyright (C) 2019 OpenCFD Ltd.
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License
    This file is part of OpenFOAM.
 
    OpenFOAM is free software: you can redistribute it and/or modify it
    under the terms of the GNU General Public License as published by
    the Free Software Foundation, either version 3 of the License, or
    (at your option) any later version.
 
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    for more details.
 
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Class
    Foam::COxidationMurphyShaddix
 
Group
    grpLagrangianIntermediateSurfaceReactionSubModels
 
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() = default;
 
 
    // Member Functions
 
        //- Update surface reactions
        virtual scalar calculate
        (
            const scalar dt,
            const scalar Re,
            const scalar nu,
            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
 
// ************************************************************************* //