diff --git a/src/lagrangian/coalCombustion/include/makeCoalParcelSurfaceReactionModels.H b/src/lagrangian/coalCombustion/include/makeCoalParcelSurfaceReactionModels.H
index 2df26d9a3cd901125a207e864a12dfe4fc37633a..44b67217dda183bfd4c513827a81817ea6b13b48 100644
--- a/src/lagrangian/coalCombustion/include/makeCoalParcelSurfaceReactionModels.H
+++ b/src/lagrangian/coalCombustion/include/makeCoalParcelSurfaceReactionModels.H
@@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
- \\ / A nd | Copyright (C) 2011-2012 OpenFOAM Foundation
+ \\ / A nd | Copyright (C) 2011-2014 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@@ -30,6 +30,7 @@ License
#include "NoSurfaceReaction.H"
#include "COxidationDiffusionLimitedRate.H"
+#include "COxidationIntrinsicRate.H"
#include "COxidationKineticDiffusionLimitedRate.H"
#include "COxidationHurtMitchell.H"
#include "COxidationMurphyShaddix.H"
@@ -44,6 +45,7 @@ License
COxidationKineticDiffusionLimitedRate, \
CloudType \
); \
+ makeSurfaceReactionModelType(COxidationIntrinsicRate, CloudType); \
makeSurfaceReactionModelType(COxidationHurtMitchell, CloudType); \
makeSurfaceReactionModelType(COxidationMurphyShaddix, CloudType);
diff --git a/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationIntrinsicRate/COxidationIntrinsicRate.C b/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationIntrinsicRate/COxidationIntrinsicRate.C
new file mode 100644
index 0000000000000000000000000000000000000000..5d8ec678eb717ddd25ba5fafd6869d4b89aac5dd
--- /dev/null
+++ b/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationIntrinsicRate/COxidationIntrinsicRate.C
@@ -0,0 +1,228 @@
+/*---------------------------------------------------------------------------*\
+ ========= |
+ \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
+ \\ / O peration |
+ \\ / A nd | Copyright (C) 2013-2014 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 3 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, see <http://www.gnu.org/licenses/>.
+
+\*---------------------------------------------------------------------------*/
+
+#include "COxidationIntrinsicRate.H"
+#include "mathematicalConstants.H"
+
+using namespace Foam::constant;
+
+// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
+
+template<class CloudType>
+Foam::COxidationIntrinsicRate<CloudType>::COxidationIntrinsicRate
+(
+ const dictionary& dict,
+ CloudType& owner
+)
+:
+ SurfaceReactionModel<CloudType>(dict, owner, typeName),
+ Sb_(readScalar(this->coeffDict().lookup("Sb"))),
+ C1_(readScalar(this->coeffDict().lookup("C1"))),
+ rMean_(readScalar(this->coeffDict().lookup("rMean"))),
+ theta_(readScalar(this->coeffDict().lookup("theta"))),
+ Ai_(readScalar(this->coeffDict().lookup("Ai"))),
+ Ei_(readScalar(this->coeffDict().lookup("Ei"))),
+ Ag_(readScalar(this->coeffDict().lookup("Ag"))),
+ tau_(this->coeffDict().lookupOrDefault("tau", sqrt(2.0))),
+ CsLocalId_(-1),
+ O2GlobalId_(owner.composition().globalCarrierId("O2")),
+ CO2GlobalId_(owner.composition().globalCarrierId("CO2")),
+ WC_(0.0),
+ WO2_(0.0),
+ HcCO2_(0.0)
+{
+ // Determine Cs ids
+ label idSolid = owner.composition().idSolid();
+ CsLocalId_ = owner.composition().localId(idSolid, "C");
+
+ // Set local copies of thermo properties
+ WO2_ = owner.thermo().carrier().W(O2GlobalId_);
+ const scalar WCO2 = owner.thermo().carrier().W(CO2GlobalId_);
+ WC_ = WCO2 - WO2_;
+
+ HcCO2_ = owner.thermo().carrier().Hc(CO2GlobalId_);
+
+ if (Sb_ < 0)
+ {
+ FatalErrorIn
+ (
+ "COxidationIntrinsicRate<CloudType>"
+ "("
+ "const dictionary&, "
+ "CloudType&"
+ ")"
+ ) << "Stoichiometry of reaction, Sb, must be greater than zero" << nl
+ << exit(FatalError);
+ }
+
+ const scalar YCloc = owner.composition().Y0(idSolid)[CsLocalId_];
+ const scalar YSolidTot = owner.composition().YMixture0()[idSolid];
+ Info<< " C(s): particle mass fraction = " << YCloc*YSolidTot << endl;
+}
+
+
+template<class CloudType>
+Foam::COxidationIntrinsicRate<CloudType>::COxidationIntrinsicRate
+(
+ const COxidationIntrinsicRate<CloudType>& srm
+)
+:
+ SurfaceReactionModel<CloudType>(srm),
+ Sb_(srm.Sb_),
+ C1_(srm.C1_),
+ rMean_(srm.rMean_),
+ theta_(srm.theta_),
+ Ai_(srm.Ai_),
+ Ei_(srm.Ei_),
+ Ag_(srm.Ag_),
+ tau_(srm.tau_),
+ CsLocalId_(srm.CsLocalId_),
+ O2GlobalId_(srm.O2GlobalId_),
+ CO2GlobalId_(srm.CO2GlobalId_),
+ WC_(srm.WC_),
+ WO2_(srm.WO2_),
+ HcCO2_(srm.HcCO2_)
+{}
+
+
+// * * * * * * * * * * * * * * * * Destructor * * * * * * * * * * * * * * * //
+
+template<class CloudType>
+Foam::COxidationIntrinsicRate<CloudType>::
+~COxidationIntrinsicRate()
+{}
+
+
+// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
+
+template<class CloudType>
+Foam::scalar Foam::COxidationIntrinsicRate<CloudType>::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
+{
+ // Fraction of remaining combustible material
+ const label idSolid = CloudType::parcelType::SLD;
+ const scalar Ychar = YMixture[idSolid]*YSolid[CsLocalId_];
+
+ // Surface combustion until combustible fraction is consumed
+ if (Ychar < SMALL)
+ {
+ return 0.0;
+ }
+
+ const SLGThermo& thermo = this->owner().thermo();
+
+ // Local mass fraction of O2 in the carrier phase []
+ const scalar YO2 = thermo.carrier().Y(O2GlobalId_)[cellI];
+
+ // Quick exit if oxidant not present
+ if (YO2 < ROOTVSMALL)
+ {
+ return 0.0;
+ }
+
+ // Diffusion rate coefficient [m2/s]
+ const scalar D0 = C1_/d*pow(0.5*(T + Tc), 0.75);
+
+ // Apparent density of pyrolysis char [kg/m3]
+ const scalar rhop = 6.0*mass/(constant::mathematical::pi*pow3(d));
+
+ // Knusden diffusion coefficient [m2/s]
+ const scalar Dkn = 97.0*rMean_*sqrt(T/WO2_);
+
+ // Effective diffusion [m2/s]
+ const scalar De = theta_/sqr(tau_)/(1.0/Dkn + 1/D0);
+
+ // Cell carrier phase O2 species density [kg/m^3]
+ const scalar rhoO2 = rhoc*YO2;
+
+ // Partial pressure O2 [Pa]
+ const scalar ppO2 = rhoO2/WO2_*specie::RR*Tc;
+
+ // Intrinsic reactivity [1/s]
+ const scalar ki = Ai_*exp(-Ei_/specie::RR/T);
+
+ // Thiele modulus []
+ const scalar phi =
+ max(0.5*d*sqrt(Sb_*rhop*Ag_*ki*ppO2/(De*rhoO2)), ROOTVSMALL);
+
+ // Effectiveness factor []
+ const scalar eta = max(3.0*sqr(phi)*(phi/tanh(phi) - 1.0), 0.0);
+
+ // Chemical rate [kmol/m2/s]
+ const scalar R = eta*d/6.0*rhop*Ag_*ki;
+
+ // Particle surface area [m2]
+ const scalar Ap = constant::mathematical::pi*sqr(d);
+
+ // Change in C mass [kg]
+ scalar dmC = Ap*rhoc*specie::RR*Tc*YO2/WO2_*D0*R/(D0 + R)*dt;
+
+ // Limit mass transfer by availability of C
+ dmC = min(mass*Ychar, dmC);
+
+ // Molar consumption [kmol]
+ const scalar dOmega = dmC/WC_;
+
+ // Change in O2 mass [kg]
+ const scalar dmO2 = dOmega*Sb_*WO2_;
+
+ // Mass of newly created CO2 [kg]
+ const scalar dmCO2 = dOmega*(WC_ + Sb_*WO2_);
+
+ // Update local particle C mass
+ dMassSolid[CsLocalId_] += dOmega*WC_;
+
+ // Update carrier O2 and CO2 mass
+ dMassSRCarrier[O2GlobalId_] -= dmO2;
+ dMassSRCarrier[CO2GlobalId_] += dmCO2;
+
+ const scalar HsC = thermo.solids().properties()[CsLocalId_].Hs(T);
+
+ // carrier sensible enthalpy exchange handled via change in mass
+
+ // Heat of reaction [J]
+ return dmC*HsC - dmCO2*HcCO2_;
+}
+
+
+// ************************************************************************* //
diff --git a/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationIntrinsicRate/COxidationIntrinsicRate.H b/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationIntrinsicRate/COxidationIntrinsicRate.H
new file mode 100644
index 0000000000000000000000000000000000000000..0f89aab7034631c35e1db069524306af95b83a78
--- /dev/null
+++ b/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationIntrinsicRate/COxidationIntrinsicRate.H
@@ -0,0 +1,186 @@
+/*---------------------------------------------------------------------------*\
+ ========= |
+ \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
+ \\ / O peration |
+ \\ / A nd | Copyright (C) 2013-2014 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 3 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, see <http://www.gnu.org/licenses/>.
+
+Class
+ COxidationIntrinsicRate
+
+Description
+ Intrinsic char surface reaction mndel
+
+ C(s) + Sb*O2 -> CO2
+
+ where Sb is the stoichiometry of the reaction
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef COxidationIntrinsicRate_H
+#define COxidationIntrinsicRate_H
+
+#include "SurfaceReactionModel.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+// Forward class declarations
+template<class CloudType>
+class COxidationIntrinsicRate;
+
+namespace Foam
+{
+/*---------------------------------------------------------------------------*\
+ Class COxidationIntrinsicRate Declaration
+\*---------------------------------------------------------------------------*/
+
+template<class CloudType>
+class COxidationIntrinsicRate
+:
+ public SurfaceReactionModel<CloudType>
+{
+ // Private data
+
+ // Model constants
+
+ //- Stoichiometry of reaction []
+ const scalar Sb_;
+
+ //- Mass diffusion limited rate constant
+ const scalar C1_;
+
+ //- Mean pore radius [m]
+ const scalar rMean_;
+
+ //- Char porosity [] = 1 - rho_apparent/rho_true
+ const scalar theta_;
+
+ //- Pre-exponential factor
+ const scalar Ai_;
+
+ //- Activation energy
+ const scalar Ei_;
+
+ //- Char specific internal area [m2/kg]
+ const scalar Ag_;
+
+ //- Pore tortuosity []; default to sqrt(2)
+ const scalar tau_;
+
+
+ // 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("COxidationIntrinsicRate");
+
+
+ // Constructors
+
+ //- Construct from dictionary
+ COxidationIntrinsicRate
+ (
+ const dictionary& dict,
+ CloudType& owner
+ );
+
+ //- Construct copy
+ COxidationIntrinsicRate
+ (
+ const COxidationIntrinsicRate<CloudType>& srm
+ );
+
+ //- Construct and return a clone
+ virtual autoPtr<SurfaceReactionModel<CloudType> > clone() const
+ {
+ return autoPtr<SurfaceReactionModel<CloudType> >
+ (
+ new COxidationIntrinsicRate<CloudType>(*this)
+ );
+ }
+
+
+ //- Destructor
+ virtual ~COxidationIntrinsicRate();
+
+
+ // 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 "COxidationIntrinsicRate.C"
+#endif
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //