ReactingParcel.H

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/*---------------------------------------------------------------------------*\
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    Copyright (C) 2011-2017 OpenFOAM Foundation
    Copyright (C) 2016-2024 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
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Class
    Foam::ReactingParcel
 
Group
    grpLagrangianIntermediateParcels
 
Description
    Reacting parcel class with one/two-way coupling with the continuous
    phase.
 
SourceFiles
    ReactingParcelI.H
    ReactingParcel.C
    ReactingParcelIO.C
 
\*---------------------------------------------------------------------------*/
 
#ifndef ReactingParcel_H
#define ReactingParcel_H
 
#include "particle.H"
#include "SLGThermo.H"
#include "demandDrivenEntry.H"
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
namespace Foam
{
 
template<class ParcelType>
class ReactingParcel;
 
template<class ParcelType>
Ostream& operator<<
(
    Ostream&,
    const ReactingParcel<ParcelType>&
);
 
 
/*---------------------------------------------------------------------------*\
                        Class ReactingParcel Declaration
\*---------------------------------------------------------------------------*/
 
template<class ParcelType>
class ReactingParcel
:
    public ParcelType
{
public:
 
    //- Size in bytes of the fields
    static const std::size_t sizeofFields;
 
 
 
    //- Class to hold reacting parcel constant properties
    class constantProperties
    :
        public ParcelType::constantProperties
    {
    public:
 
            //- Type of activity coefficient models
            enum volumeUpdateType
            {
                mConstRho,
                mConstVol,
                mUpdateRhoAndVol,
                mUndefined
            };
 
    private:
 
        // Private Data
 
            //- Minimum pressure [Pa]
            demandDrivenEntry<scalar> pMin_;
 
            //- Method to update particle rho and diameter
            //- 0: constant rho
            //- 1: constant volume
            //- 2: recalculation of rho and volume based on the lost mass
            demandDrivenEntry<bool> constantVolume_;
 
            //- Method to update vol and rho
            demandDrivenEntry<label> volUpdateType_;
 
 
    public:
 
        // Constructors
 
            //- Null constructor
            constantProperties();
 
            //- Copy constructor
            constantProperties(const constantProperties& cp);
 
            //- Construct from dictionary
            constantProperties(const dictionary& parentDict);
 
 
        // Access
 
            //- Return const access to the minimum pressure
            inline scalar pMin() const;
 
            //- Return const access to the constant volume flag
            inline bool constantVolume() const;
 
            //- Return const access to the constant volume flag
            inline label volUpdateType() const;
    };
 
 
    class trackingData
    :
        public ParcelType::trackingData
    {
    private:
 
        // Private data
 
            // Interpolators for continuous phase fields
 
                //- Interpolator for continuous phase pressure field
                autoPtr<interpolation<scalar>> pInterp_;
 
 
            // Cached continuous phase properties
 
                //- Pressure [Pa]
                scalar pc_;
 
 
    public:
 
        typedef typename ParcelType::trackingData::trackPart trackPart;
 
        // Constructors
 
            //- Construct from components
            template<class TrackCloudType>
            inline trackingData
            (
                const TrackCloudType& cloud,
                trackPart part = ParcelType::trackingData::tpLinearTrack
            );
 
 
        // Member functions
 
            //- Return const access to the interpolator for continuous phase
            //  pressure field
            inline const interpolation<scalar>& pInterp() const;
 
            //- Return the continuous phase pressure
            inline scalar pc() const;
 
            //- Access the continuous phase pressure
            inline scalar& pc();
    };
 
 
protected:
 
    // Protected data
 
        // Parcel properties
 
            //- Initial mass [kg]
            scalar mass0_;
 
            //- Mass fractions of mixture []
            scalarField Y_;
 
 
    // Protected Member Functions
 
            //- Return change of volume due to mass exchange
            template<class TrackCloudType>
            scalar updatedDeltaVolume
            (
                TrackCloudType& cloud,
                const scalarField& dMass,
                const scalar p,
                const scalar T
            );
 
 
        //- Calculate Phase change
        template<class TrackCloudType>
        void calcPhaseChange
        (
            TrackCloudType& cloud,
            trackingData& td,
            const scalar dt,           // timestep
            const scalar Re,           // Reynolds number
            const scalar Pr,           // Prandtl number
            const scalar Ts,           // Surface temperature
            const scalar nus,          // Surface kinematic viscosity
            const scalar d,            // diameter
            const scalar T,            // temperature
            const scalar mass,         // mass
            const scalar rho,          // density
            const label idPhase,       // id of phase involved in phase change
            const scalar YPhase,       // total mass fraction
            const scalarField& YLiq,   // liquid component  mass fractions
            const scalarField& YSol,   // solid component mass fractions
            scalarField& dMassPC,      // mass transfer - local to parcel
            scalar& Sh,                // explicit parcel enthalpy source
            scalar& N,                 // flux of species emitted from parcel
            scalar& NCpW,              // sum of N*Cp*W of emission species
            scalarField& Cs            // carrier conc. of emission species
        );
 
        //- Update mass fraction
        scalar updateMassFraction
        (
            const scalar mass0,
            const scalarField& dMass,
            scalarField& Y
        ) const;
 
 
public:
 
    // Static data members
 
        //- Runtime type information
        TypeName("ReactingParcel");
 
        //- String representation of properties
        AddToPropertyList
        (
            ParcelType,
            " mass0"
          + " nPhases(Y1..YN)"
        );
 
 
    // Constructors
 
        //- Construct from mesh, coordinates and topology
        //  Other properties initialised as null
        inline ReactingParcel
        (
            const polyMesh& mesh,
            const barycentric& coordinates,
            const label celli,
            const label tetFacei,
            const label tetPti
        );
 
        //- Construct from a position and a cell, searching for the rest of the
        //  required topology. Other properties are initialised as null.
        inline ReactingParcel
        (
            const polyMesh& mesh,
            const vector& position,
            const label celli
        );
 
        //- Construct from components
        inline ReactingParcel
        (
            const polyMesh& mesh,
            const barycentric& coordinates,
            const label celli,
            const label tetFacei,
            const label tetPti,
            const label typeId,
            const scalar nParticle0,
            const scalar d0,
            const scalar dTarget0,
            const vector& U0,
            const vector& f0,
            const vector& angularMomentum0,
            const vector& torque0,
            const scalarField& Y0,
            const constantProperties& constProps
        );
 
        //- Construct from Istream
        ReactingParcel
        (
            const polyMesh& mesh,
            Istream& is,
            bool readFields = true,
            bool newFormat = true
        );
 
        //- Construct as a copy
        ReactingParcel
        (
            const ReactingParcel& p,
            const polyMesh& mesh
        );
 
        //- Construct as a copy
        ReactingParcel(const ReactingParcel& p);
 
        //- Return a (basic particle) clone
        virtual autoPtr<particle> clone() const
        {
            return particle::Clone(*this);
        }
 
        //- Return a (basic particle) clone
        virtual autoPtr<particle> clone(const polyMesh& mesh) const
        {
            return particle::Clone(*this, mesh);
        }
 
        //- Factory class to read-construct particles (for parallel transfer)
        class iNew
        {
            const polyMesh& mesh_;
 
        public:
 
            iNew(const polyMesh& mesh)
            :
                mesh_(mesh)
            {}
 
            autoPtr<ReactingParcel<ParcelType>> operator()(Istream& is) const
            {
                return autoPtr<ReactingParcel<ParcelType>>
                (
                    new ReactingParcel<ParcelType>(mesh_, is, true)
                );
            }
        };
 
 
    // Member Functions
 
        // Access
 
            //- Return const access to initial mass [kg]
            inline scalar mass0() const;
 
            //- Return const access to mass fractions of mixture []
            inline const scalarField& Y() const;
 
            //- Return const access to mass fractions of gases
            //  Note: for compatibilty only - returns Y()
            inline const scalarField& YGas() const;
 
            //- Return const access to mass fractions of liquids
            //  Note: for compatibilty only - returns Y()
            inline const scalarField& YLiquid() const;
 
            //- Return const access to mass fractions of solids
            //  Note: for compatibilty only - returns Y()
            inline const scalarField& YSolid() const;
 
 
        // Edit
 
            //- Return access to initial mass [kg]
            inline scalar& mass0();
 
            //- Return access to mass fractions of mixture []
            inline scalarField& Y();
 
 
        // Main calculation loop
 
            //- Set cell values
            template<class TrackCloudType>
            void setCellValues(TrackCloudType& cloud, trackingData& td);
 
            //- Correct cell values using latest transfer information
            template<class TrackCloudType>
            void cellValueSourceCorrection
            (
                TrackCloudType& cloud,
                trackingData& td,
                const scalar dt
            );
 
            //- Correct surface values due to emitted species
            template<class TrackCloudType>
            void correctSurfaceValues
            (
                TrackCloudType& cloud,
                trackingData& td,
                const scalar T,
                const scalarField& Cs,
                scalar& rhos,
                scalar& mus,
                scalar& Prs,
                scalar& kappas
            );
 
            //- Update parcel properties over the time interval
            template<class TrackCloudType>
            void calc
            (
                TrackCloudType& cloud,
                trackingData& td,
                const scalar dt
            );
 
 
        // I-O
 
            //- Read - composition supplied
            template<class CloudType, class CompositionType>
            static void readFields
            (
                CloudType& c,
                const CompositionType& compModel
            );
 
            //- Read - no composition
            template<class CloudType>
            static void readFields(CloudType& c);
 
            //- Write - composition supplied
            template<class CloudType, class CompositionType>
            static void writeFields
            (
                const CloudType& c,
                const CompositionType& compModel
            );
 
            //- Write - no composition
            template<class CloudType>
            static void writeFields(const CloudType& c);
 
            //- Write individual parcel properties to stream
            void writeProperties
            (
                Ostream& os,
                const wordRes& filters,
                const word& delim,
                const bool namesOnly = false
            ) const;
 
            //- Read particle fields as objects from the obr registry
            //  - no composition
            template<class CloudType>
            static void readObjects
            (
                CloudType& c,
                const objectRegistry& obr
            );
 
            //- Read particle fields as objects from the obr registry
            template<class CloudType, class CompositionType>
            static void readObjects
            (
                CloudType& c,
                const CompositionType& compModel,
                const objectRegistry& obr
            );
 
            //- Write particle fields as objects into the obr registry
            //  - no composition
            template<class CloudType>
            static void writeObjects
            (
                const CloudType& c,
                objectRegistry& obr
            );
 
            //- Write particle fields as objects into the obr registry
            template<class CloudType, class CompositionType>
            static void writeObjects
            (
                const CloudType& c,
                const CompositionType& compModel,
                objectRegistry& obr
            );
 
 
    // Ostream Operator
 
        friend Ostream& operator<< <ParcelType>
        (
            Ostream&,
            const ReactingParcel<ParcelType>&
        );
};
 
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
} // End namespace Foam
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
#include "ReactingParcelI.H"
#include "ReactingParcelTrackingDataI.H"
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
#ifdef NoRepository
    #include "ReactingParcel.C"
#endif
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
#endif
 
// ************************************************************************* //