SingleKineticRateDevolatilisation.H

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    Copyright (C) 2019-2020 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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    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
    for more details.
 
    You should have received a copy of the GNU General Public License
    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
 
Class
    Foam::SingleKineticRateDevolatilisation
 
Group
    grpLagrangianIntermediateDevolatilisationSubModels
 
Description
    Single kinetic rate devolatisation model.
    - acts on a per-specie basis
    - Rate given by Arrhenius eqn
 
        kappa = A1.exp(- E/R.T)
 
    Where:
        kappa = rate constant
        A1    = activation energy (user input)
        E     = pre-exponential factor (user input)
        R     = universal gas constant
        T     = temperature
 
    Usage:
 
        SingleKineticRateDevolatilisationCoeffs
        {
            volatileData
            (
                (CH4     12     0.5)   // (name A1 E)
                (CO2     12     0.5)   // (name A1 E)
            );
 
            volatileResidualCoeff 1e-6;
        }
 
\*---------------------------------------------------------------------------*/
 
#ifndef SingleKineticRateDevolatilisation_H
#define SingleKineticRateDevolatilisation_H
 
#include "DevolatilisationModel.H"
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
namespace Foam
{
 
/*---------------------------------------------------------------------------*\
              Class SingleKineticRateDevolatilisation Declaration
\*---------------------------------------------------------------------------*/
 
template<class CloudType>
class SingleKineticRateDevolatilisation
:
    public DevolatilisationModel<CloudType>
{
    //- Helper class to store specie-local volatile data
    class volatileData
    {
        // Private Data
 
            //- Specie name
            word name_;
 
            //- Activation energy
            scalar A1_;
 
            //- Pre-exponential factor
            scalar E_;
 
    public:
 
        // Constructors
 
            //- Default construct
            volatileData()
            :
                name_(),
                A1_(0),
                E_(0)
            {}
 
            //- Construct from Istream
            explicit volatileData(Istream& is)
            :
                name_(is),
                A1_(readScalar(is)),
                E_(readScalar(is))
            {}
 
 
        // Member Functions
 
            // Access
 
                //- Return const access to the name
                const word& name() const
                {
                    return name_;
                }
 
                //- Return const access to the activation energy
                scalar A1() const
                {
                    return A1_;
                }
 
                //- Return const access to the pre-exponential factor
                scalar E() const
                {
                    return E_;
                }
 
 
        // IOstream Operators
 
            //- Read from Istream
            friend Istream& operator>>(Istream& is, volatileData& vd)
            {
                is.readBegin("volatileData");
                is  >>  vd.name_  >> vd.A1_  >> vd.E_;
                is.readEnd("volatileData");
 
                return is;
            }
 
            //- Write to Ostream
            friend Ostream& operator<<(Ostream& os, const volatileData& vd)
            {
                os  << token::BEGIN_LIST
                    << vd.name_ << token::SPACE
                    << vd.A1_ << token::SPACE
                    << vd.E_
                    << token::END_LIST;
 
                return os;
            }
    };
 
 
    // Private Data
 
        // Model Constants
 
            //- List of volatile data - (name A1 E)
            List<volatileData> volatileData_;
 
            //- List of initial volatile mass fractions
            List<scalar> YVolatile0_;
 
            //- Mapping between local and cloud gaseous species
            List<label> volatileToGasMap_;
 
            //- Volatile residual coefficient (0-1)
            //  When the fraction of volatiles are depleted below this
            //  threshold, combustion can occur
            const scalar residualCoeff_;
 
 
public:
 
    //- Declare type-name, virtual type (with debug switch)
    TypeName("singleKineticRateDevolatilisation");
 
 
    // Constructors
 
        //- Construct from dictionary
        SingleKineticRateDevolatilisation
        (
            const dictionary& dict,
            CloudType& owner
        );
 
        //- Construct and return a clone
        virtual autoPtr<DevolatilisationModel<CloudType>> clone() const
        {
            return autoPtr<DevolatilisationModel<CloudType>>
            (
                new SingleKineticRateDevolatilisation<CloudType>(*this)
            );
        }
 
 
    //- Destructor
    virtual ~SingleKineticRateDevolatilisation() = default;
 
 
    // Member Functions
 
        //- Update model
        virtual void calculate
        (
            const scalar dt,
            const scalar age,
            const scalar mass0,
            const scalar mass,
            const scalar T,
            const scalarField& YGasEff,
            const scalarField& YLiquidEff,
            const scalarField& YSolidEff,
            label& canCombust,
            scalarField& dMassDV
        ) const;
};
 
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
} // End namespace Foam
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
#ifdef NoRepository
    #include "SingleKineticRateDevolatilisation.C"
#endif
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
#endif
 
// ************************************************************************* //