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adding new coal-based surface reaction moodels
This commit is contained in:
andy
@ -0,0 +1,155 @@
|
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/*---------------------------------------------------------------------------*\
|
||||
========= |
|
||||
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
|
||||
\\ / O peration |
|
||||
\\ / A nd | Copyright (C) 1991-2007 OpenCFD Ltd.
|
||||
\\/ M anipulation |
|
||||
-------------------------------------------------------------------------------
|
||||
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 2 of the License, or (at your
|
||||
option) any later version.
|
||||
|
||||
OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
|
||||
ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
|
||||
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, write to the Free Software Foundation,
|
||||
Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
|
||||
|
||||
\*---------------------------------------------------------------------------*/
|
||||
|
||||
#include "COxidationDiffusionLimitedRate.H"
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||||
|
||||
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
|
||||
|
||||
Foam::COxidationDiffusionLimitedRate::COxidationDiffusionLimitedRate
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||||
(
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||||
const dictionary& dict,
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||||
ReactingMultiphaseCloud<coalParcel>& owner
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||||
)
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||||
:
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||||
SurfaceReactionModel<ReactingMultiphaseCloud<coalParcel> >
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||||
(
|
||||
dict,
|
||||
owner,
|
||||
typeName
|
||||
),
|
||||
Sb_(dimensionedScalar(this->coeffDict().lookup("Sb")).value()),
|
||||
D_(dimensionedScalar(this->coeffDict().lookup("D")).value()),
|
||||
CsLocalId_(-1),
|
||||
O2GlobalId_(-1),
|
||||
CO2GlobalId_(-1),
|
||||
WC_(0.0),
|
||||
WO2_(0.0),
|
||||
HcCO2_(0.0)
|
||||
{
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||||
// Determine carrier phase Ids of reactants/products
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||||
label idGas = owner.composition().idGas();
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||||
O2GlobalId_ = owner.composition().globalId(idGas, "O2");
|
||||
CO2GlobalId_ = owner.composition().globalId(idGas, "CO2");
|
||||
|
||||
// Determine Cs ids
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label idSolid = owner.composition().idSolid();
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||||
CsLocalId_ = owner.composition().localId(idSolid, "C");
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||||
|
||||
// Set local copies of thermo properties
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WO2_ = owner().composition().gases()[O2GlobalId_].W();
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scalar WCO2 = owner().composition().gases()[CO2GlobalId_].W();
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WC_ = WCO2 - WO2_;
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HcCO2_ = owner().composition().gases()[CO2GlobalId_].Hc();
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||||
|
||||
if (Sb_ < 0)
|
||||
{
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||||
FatalErrorIn
|
||||
(
|
||||
"COxidationDiffusionLimitedRate"
|
||||
"("
|
||||
"const dictionary&, "
|
||||
"ReactingMultiphaseCloud<coalParcel>&"
|
||||
")"
|
||||
) << "Stoichiometry, Sb, must be greater than zero" << nl
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||||
<< exit(FatalError);
|
||||
}
|
||||
}
|
||||
|
||||
|
||||
// * * * * * * * * * * * * * * * * Destructor * * * * * * * * * * * * * * * //
|
||||
|
||||
Foam::COxidationDiffusionLimitedRate::~COxidationDiffusionLimitedRate()
|
||||
{}
|
||||
|
||||
|
||||
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
|
||||
|
||||
bool Foam::COxidationDiffusionLimitedRate::active() const
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||||
{
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return true;
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||||
}
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|
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Foam::scalar Foam::COxidationDiffusionLimitedRate::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 scalarField& dMassVolatile,
|
||||
scalarField& dMassGas,
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scalarField& dMassLiquid,
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||||
scalarField& dMassSolid,
|
||||
scalarField& dMassSRCarrier
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||||
) const
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||||
{
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||||
// Fraction of remaining combustible material
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const scalar fComb = YMixture[coalParcel::SLD]*YSolid[CsLocalId_];
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||||
|
||||
// Surface combustion active combustible fraction is consumed
|
||||
if (fComb < SMALL)
|
||||
{
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||||
return 0.0;
|
||||
}
|
||||
|
||||
// Local mass fraction of O2 in the carrier phase
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||||
const scalar YO2 =
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owner().carrierThermo().composition().Y(O2GlobalId_)[cellI];
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||||
|
||||
// Change in C mass [kg]
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||||
scalar dmC =
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4.0*mathematicalConstant::pi*d*D_*YO2*Tc*rhoc/(Sb_*(T + Tc))*dt;
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|
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// Limit mass transfer by availability of C
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dmC = min(mass*fComb, dmC);
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|
||||
// Change in O2 mass [kg]
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const scalar dmO2 = dmC/WC_*Sb_*WO2_;
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|
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// Mass of newly created CO2 [kg]
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const scalar dmCO2 = dmC + dmO2;
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|
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// Update local particle C mass
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dMassSolid[CsLocalId_] += dmC;
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// Update carrier O2 and CO2 mass
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dMassSRCarrier[O2GlobalId_] -= dmO2;
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dMassSRCarrier[CO2GlobalId_] += dmCO2;
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// Heat of reaction [J]
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||||
return HcCO2_*dmCO2;
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||||
}
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||||
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -0,0 +1,147 @@
|
||||
/*---------------------------------------------------------------------------*\
|
||||
========= |
|
||||
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
|
||||
\\ / O peration |
|
||||
\\ / A nd | Copyright (C) 1991-2007 OpenCFD Ltd.
|
||||
\\/ M anipulation |
|
||||
-------------------------------------------------------------------------------
|
||||
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 2 of the License, or (at your
|
||||
option) any later version.
|
||||
|
||||
OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
|
||||
ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
|
||||
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, write to the Free Software Foundation,
|
||||
Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
|
||||
|
||||
Class
|
||||
COxidationDiffusionLimitedRate
|
||||
|
||||
Description
|
||||
Diffusion limited rate surface reaction model for coal parcels. Limited to:
|
||||
|
||||
C(s) + Sb*O2 -> CO2
|
||||
|
||||
where Sb is the stoichiometry of the reaction
|
||||
|
||||
\*---------------------------------------------------------------------------*/
|
||||
|
||||
#ifndef COxidationDiffusionLimitedRate_H
|
||||
#define COxidationDiffusionLimitedRate_H
|
||||
|
||||
#include "SurfaceReactionModel.H"
|
||||
#include "coalParcel.H"
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
namespace Foam
|
||||
{
|
||||
/*---------------------------------------------------------------------------*\
|
||||
Class COxidationDiffusionLimitedRate Declaration
|
||||
\*---------------------------------------------------------------------------*/
|
||||
|
||||
class COxidationDiffusionLimitedRate
|
||||
:
|
||||
public SurfaceReactionModel<ReactingMultiphaseCloud<coalParcel> >
|
||||
{
|
||||
// Private data
|
||||
|
||||
// Model constants
|
||||
|
||||
//- Stoichiometry of reaction
|
||||
const scalar Sb_;
|
||||
|
||||
//- Diffusion coefficient of oxidants [m2/s]
|
||||
const scalar D_;
|
||||
|
||||
|
||||
// Local copies of thermo properties
|
||||
|
||||
//- Molecular weight of C [kg/kmol]
|
||||
scalar WC_;
|
||||
|
||||
//- Molecular weight of O2 [kg/kmol]
|
||||
scalar WO2_;
|
||||
|
||||
//- Chemical enthalpy of CO2 [J/kg]
|
||||
scalar HcCO2_;
|
||||
|
||||
|
||||
// Addressing
|
||||
|
||||
//- Cs positions in global/local lists
|
||||
label CsLocalId_;
|
||||
|
||||
//- O2 position in global list
|
||||
label O2GlobalId_;
|
||||
|
||||
//- CO2 positions in global list
|
||||
label CO2GlobalId_;
|
||||
|
||||
|
||||
public:
|
||||
|
||||
//- Runtime type information
|
||||
TypeName("COxidationDiffusionLimitedRate");
|
||||
|
||||
|
||||
// Constructors
|
||||
|
||||
//- Construct from dictionary
|
||||
COxidationDiffusionLimitedRate
|
||||
(
|
||||
const dictionary& dict,
|
||||
ReactingMultiphaseCloud<coalParcel>& owner
|
||||
);
|
||||
|
||||
|
||||
//- Destructor
|
||||
virtual ~COxidationDiffusionLimitedRate();
|
||||
|
||||
|
||||
// Member Functions
|
||||
|
||||
//- Flag to indicate whether model activates surface reaction model
|
||||
virtual bool active() const;
|
||||
|
||||
//- 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 scalarField& dMassVolatile,
|
||||
scalarField& dMassGas,
|
||||
scalarField& dMassLiquid,
|
||||
scalarField& dMassSolid,
|
||||
scalarField& dMassSRCarrier
|
||||
) const;
|
||||
};
|
||||
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
} // End namespace Foam
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
#endif
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -0,0 +1,167 @@
|
||||
/*---------------------------------------------------------------------------*\
|
||||
========= |
|
||||
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
|
||||
\\ / O peration |
|
||||
\\ / A nd | Copyright (C) 1991-2007 OpenCFD Ltd.
|
||||
\\/ M anipulation |
|
||||
-------------------------------------------------------------------------------
|
||||
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 2 of the License, or (at your
|
||||
option) any later version.
|
||||
|
||||
OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
|
||||
ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
|
||||
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, write to the Free Software Foundation,
|
||||
Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
|
||||
|
||||
\*---------------------------------------------------------------------------*/
|
||||
|
||||
#include "COxidationKineticDiffusionLimitedRate.H"
|
||||
|
||||
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
|
||||
|
||||
Foam::COxidationKineticDiffusionLimitedRate::
|
||||
COxidationKineticDiffusionLimitedRate
|
||||
(
|
||||
const dictionary& dict,
|
||||
ReactingMultiphaseCloud<coalParcel>& owner
|
||||
)
|
||||
:
|
||||
SurfaceReactionModel<ReactingMultiphaseCloud<coalParcel> >
|
||||
(
|
||||
dict,
|
||||
owner,
|
||||
typeName
|
||||
),
|
||||
Sb_(dimensionedScalar(this->coeffDict().lookup("Sb")).value()),
|
||||
C1_(dimensionedScalar(this->coeffDict().lookup("C1")).value()),
|
||||
C2_(dimensionedScalar(this->coeffDict().lookup("C2")).value()),
|
||||
E_(dimensionedScalar(this->coeffDict().lookup("E")).value()),
|
||||
CsLocalId_(-1),
|
||||
O2GlobalId_(-1),
|
||||
CO2GlobalId_(-1),
|
||||
WC_(0.0),
|
||||
WO2_(0.0),
|
||||
HcCO2_(0.0)
|
||||
{
|
||||
// Determine carrier phase Ids of reactants/products
|
||||
label idGas = owner.composition().idGas();
|
||||
O2GlobalId_ = owner.composition().globalId(idGas, "O2");
|
||||
CO2GlobalId_ = owner.composition().globalId(idGas, "CO2");
|
||||
|
||||
// Determine Cs ids
|
||||
label idSolid = owner.composition().idSolid();
|
||||
CsLocalId_ = owner.composition().localId(idSolid, "C");
|
||||
|
||||
// Set local copies of thermo properties
|
||||
WO2_ = owner().composition().gases()[O2GlobalId_].W();
|
||||
scalar WCO2 = owner().composition().gases()[CO2GlobalId_].W();
|
||||
WC_ = WCO2 - WO2_;
|
||||
HcCO2_ = owner().composition().gases()[CO2GlobalId_].Hc();
|
||||
|
||||
if (Sb_ < 0)
|
||||
{
|
||||
FatalErrorIn
|
||||
(
|
||||
"COxidationKineticDiffusionLimitedRate"
|
||||
"("
|
||||
"const dictionary&, "
|
||||
"ReactingMultiphaseCloud<coalParcel>&"
|
||||
")"
|
||||
) << "Stoichiometry, Sb, must be greater than zero" << nl
|
||||
<< exit(FatalError);
|
||||
}
|
||||
}
|
||||
|
||||
|
||||
// * * * * * * * * * * * * * * * * Destructor * * * * * * * * * * * * * * * //
|
||||
|
||||
Foam::COxidationKineticDiffusionLimitedRate::
|
||||
~COxidationKineticDiffusionLimitedRate()
|
||||
{}
|
||||
|
||||
|
||||
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
|
||||
|
||||
bool Foam::COxidationKineticDiffusionLimitedRate::active() const
|
||||
{
|
||||
return true;
|
||||
}
|
||||
|
||||
|
||||
Foam::scalar Foam::COxidationKineticDiffusionLimitedRate::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 scalarField& dMassVolatile,
|
||||
scalarField& dMassGas,
|
||||
scalarField& dMassLiquid,
|
||||
scalarField& dMassSolid,
|
||||
scalarField& dMassSRCarrier
|
||||
) const
|
||||
{
|
||||
// Fraction of remaining combustible material
|
||||
const scalar fComb = YMixture[coalParcel::SLD]*YSolid[CsLocalId_];
|
||||
|
||||
// Surface combustion active combustible fraction is consumed
|
||||
if (fComb < SMALL)
|
||||
{
|
||||
return 0.0;
|
||||
}
|
||||
|
||||
// Local mass fraction of O2 in the carrier phase
|
||||
const scalar YO2 =
|
||||
owner().carrierThermo().composition().Y(O2GlobalId_)[cellI];
|
||||
|
||||
// Diffusion rate coefficient
|
||||
const scalar D0 = C1_/d*pow(0.5*(T + Tc), 0.75);
|
||||
|
||||
// Kinetic rate
|
||||
const scalar Rk = C2_*exp(-E_/(specie::RR*Tc));
|
||||
|
||||
// Particle surface area
|
||||
const scalar Ap = mathematicalConstant::pi*sqr(d);
|
||||
|
||||
// Change in C mass [kg]
|
||||
scalar dmC = Ap*rhoc*specie::RR*Tc*YO2/WO2_*D0*Rk/(D0 + Rk);
|
||||
|
||||
// Limit mass transfer by availability of C
|
||||
dmC = min(mass*fComb, dmC);
|
||||
|
||||
// Change in O2 mass [kg]
|
||||
const scalar dmO2 = dmC/WC_*Sb_*WO2_;
|
||||
|
||||
// Mass of newly created CO2 [kg]
|
||||
const scalar dmCO2 = dmC + dmO2;
|
||||
|
||||
// Update local particle C mass
|
||||
dMassSolid[CsLocalId_] += dmC;
|
||||
|
||||
// Update carrier O2 and CO2 mass
|
||||
dMassSRCarrier[O2GlobalId_] -= dmO2;
|
||||
dMassSRCarrier[CO2GlobalId_] += dmCO2;
|
||||
|
||||
// Heat of reaction [J]
|
||||
return HcCO2_*dmCO2;
|
||||
}
|
||||
|
||||
|
||||
// ************************************************************************* //
|
||||
@ -0,0 +1,154 @@
|
||||
/*---------------------------------------------------------------------------*\
|
||||
========= |
|
||||
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
|
||||
\\ / O peration |
|
||||
\\ / A nd | Copyright (C) 1991-2007 OpenCFD Ltd.
|
||||
\\/ M anipulation |
|
||||
-------------------------------------------------------------------------------
|
||||
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 2 of the License, or (at your
|
||||
option) any later version.
|
||||
|
||||
OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
|
||||
ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
|
||||
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, write to the Free Software Foundation,
|
||||
Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
|
||||
|
||||
Class
|
||||
COxidationKineticDiffusionLimitedRate
|
||||
|
||||
Description
|
||||
Kinetic/diffusion limited rate surface reaction model for coal parcels.
|
||||
Limited to:
|
||||
|
||||
C(s) + Sb*O2 -> CO2
|
||||
|
||||
where Sb is the stoichiometry of the reaction
|
||||
|
||||
\*---------------------------------------------------------------------------*/
|
||||
|
||||
#ifndef COxidationKineticDiffusionLimitedRate_H
|
||||
#define COxidationKineticDiffusionLimitedRate_H
|
||||
|
||||
#include "SurfaceReactionModel.H"
|
||||
#include "coalParcel.H"
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
namespace Foam
|
||||
{
|
||||
/*---------------------------------------------------------------------------*\
|
||||
Class COxidationKineticDiffusionLimitedRate Declaration
|
||||
\*---------------------------------------------------------------------------*/
|
||||
|
||||
class COxidationKineticDiffusionLimitedRate
|
||||
:
|
||||
public SurfaceReactionModel<ReactingMultiphaseCloud<coalParcel> >
|
||||
{
|
||||
// Private data
|
||||
|
||||
// Model constants
|
||||
|
||||
//- Stoichiometry of reaction
|
||||
const scalar Sb_;
|
||||
|
||||
//- Mass diffusion limited rate constant, C1
|
||||
const scalar C1_;
|
||||
|
||||
//- Kinetics limited rate pre-exponential constant, C2
|
||||
const scalar C2_;
|
||||
|
||||
//- Kinetics limited rate activation energy
|
||||
const scalar E_;
|
||||
|
||||
|
||||
// Local copies of thermo properties
|
||||
|
||||
//- Molecular weight of C [kg/kmol]
|
||||
scalar WC_;
|
||||
|
||||
//- Molecular weight of O2 [kg/kmol]
|
||||
scalar WO2_;
|
||||
|
||||
//- Chemical enthalpy of CO2 [J/kg]
|
||||
scalar HcCO2_;
|
||||
|
||||
|
||||
// Addressing
|
||||
|
||||
//- Cs positions in global/local lists
|
||||
label CsLocalId_;
|
||||
|
||||
//- O2 position in global list
|
||||
label O2GlobalId_;
|
||||
|
||||
//- CO2 positions in global list
|
||||
label CO2GlobalId_;
|
||||
|
||||
|
||||
public:
|
||||
|
||||
//- Runtime type information
|
||||
TypeName("COxidationKineticDiffusionLimitedRate");
|
||||
|
||||
|
||||
// Constructors
|
||||
|
||||
//- Construct from dictionary
|
||||
COxidationKineticDiffusionLimitedRate
|
||||
(
|
||||
const dictionary& dict,
|
||||
ReactingMultiphaseCloud<coalParcel>& owner
|
||||
);
|
||||
|
||||
|
||||
//- Destructor
|
||||
virtual ~COxidationKineticDiffusionLimitedRate();
|
||||
|
||||
|
||||
// Member Functions
|
||||
|
||||
//- Flag to indicate whether model activates surface reaction model
|
||||
virtual bool active() const;
|
||||
|
||||
//- 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 scalarField& dMassVolatile,
|
||||
scalarField& dMassGas,
|
||||
scalarField& dMassLiquid,
|
||||
scalarField& dMassSolid,
|
||||
scalarField& dMassSRCarrier
|
||||
) const;
|
||||
};
|
||||
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
} // End namespace Foam
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
#endif
|
||||
|
||||
// ************************************************************************* //
|
||||
Reference in New Issue
Block a user