diff --git a/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationDiffusionLimitedRate/COxidationDiffusionLimitedRate.C b/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationDiffusionLimitedRate/COxidationDiffusionLimitedRate.C
index 516554874cdaf1f5fcdab8f2a0375892952bfee4..e86391182fcf8800b65d7795c7b6401745a82f63 100644
--- a/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationDiffusionLimitedRate/COxidationDiffusionLimitedRate.C
+++ b/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationDiffusionLimitedRate/COxidationDiffusionLimitedRate.C
@@ -43,17 +43,12 @@ Foam::COxidationDiffusionLimitedRate::COxidationDiffusionLimitedRate
Sb_(dimensionedScalar(this->coeffDict().lookup("Sb")).value()),
D_(dimensionedScalar(this->coeffDict().lookup("D")).value()),
CsLocalId_(-1),
- O2GlobalId_(-1),
- CO2GlobalId_(-1),
+ O2GlobalId_(owner.composition().globalCarrierId("O2")),
+ CO2GlobalId_(owner.composition().globalCarrierId("CO2")),
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");
@@ -73,7 +68,7 @@ Foam::COxidationDiffusionLimitedRate::COxidationDiffusionLimitedRate
"const dictionary&, "
"ReactingMultiphaseCloud<coalParcel>&"
")"
- ) << "Stoichiometry, Sb, must be greater than zero" << nl
+ ) << "Stoichiometry of reaction, Sb, must be greater than zero" << nl
<< exit(FatalError);
}
}
diff --git a/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationKineticDiffusionLimitedRate/COxidationKineticDiffusionLimitedRate.C b/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationKineticDiffusionLimitedRate/COxidationKineticDiffusionLimitedRate.C
index eb44c6391afaf52dc186b2a30acad79ffcb1ad40..bb3e28ae56e00aaa99ce15abb7487f93b538fcb4 100644
--- a/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationKineticDiffusionLimitedRate/COxidationKineticDiffusionLimitedRate.C
+++ b/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationKineticDiffusionLimitedRate/COxidationKineticDiffusionLimitedRate.C
@@ -46,17 +46,12 @@ COxidationKineticDiffusionLimitedRate
C2_(dimensionedScalar(this->coeffDict().lookup("C2")).value()),
E_(dimensionedScalar(this->coeffDict().lookup("E")).value()),
CsLocalId_(-1),
- O2GlobalId_(-1),
- CO2GlobalId_(-1),
+ O2GlobalId_(owner.composition().globalCarrierId("O2")),
+ CO2GlobalId_(owner.composition().globalCarrierId("CO2")),
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");
@@ -76,7 +71,7 @@ COxidationKineticDiffusionLimitedRate
"const dictionary&, "
"ReactingMultiphaseCloud<coalParcel>&"
")"
- ) << "Stoichiometry, Sb, must be greater than zero" << nl
+ ) << "Stoichiometry of reaction, Sb, must be greater than zero" << nl
<< exit(FatalError);
}
}
diff --git a/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationMurphyShaddix/COxidationMurphyShaddix.C b/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationMurphyShaddix/COxidationMurphyShaddix.C
index c9e5ddfa49ab3e2ff13832bb302da59fa459afaa..128c5d64e962f326f3cd05240bcc2b6f182a5b28 100644
--- a/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationMurphyShaddix/COxidationMurphyShaddix.C
+++ b/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationMurphyShaddix/COxidationMurphyShaddix.C
@@ -55,20 +55,22 @@ Foam::COxidationMurphyShaddix::COxidationMurphyShaddix
E_(dimensionedScalar(this->coeffDict().lookup("E")).value()),
n_(dimensionedScalar(this->coeffDict().lookup("n")).value()),
WVol_(dimensionedScalar(this->coeffDict().lookup("WVol")).value()),
- dH0_(dimensionedScalar(this->coeffDict().lookup("dH0")).value()),
- TMaxdH_(dimensionedScalar(this->coeffDict().lookup("TmaxdH")).value()),
CsLocalId_(-1),
- O2GlobalId_(-1),
- CO2GlobalId_(-1)
+ O2GlobalId_(owner.composition().globalCarrierId("O2")),
+ CO2GlobalId_(owner.composition().globalCarrierId("CO2")),
+ 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, "Cs");
+
+ // Set local copies of thermo properties
+ WO2_ = owner.composition().carrierSpecies()[O2GlobalId_].W();
+ scalar WCO2 = owner.composition().carrierSpecies()[CO2GlobalId_].W();
+ WC_ = WCO2 - WO2_;
+ HcCO2_ = owner.composition().carrierSpecies()[CO2GlobalId_].Hc();
}
@@ -118,8 +120,7 @@ Foam::scalar Foam::COxidationMurphyShaddix::calculate
// Cell carrier phase O2 species density [kg/m^3]
const scalar rhoO2 =
- owner().carrierThermo().composition().Y(O2GlobalId_)[cellI]
- *rhoc;
+ rhoc*owner().carrierThermo().composition().Y(O2GlobalId_)[cellI];
if (rhoO2 < SMALL)
{
@@ -129,25 +130,12 @@ Foam::scalar Foam::COxidationMurphyShaddix::calculate
// Particle surface area [m^2]
const scalar Ap = mathematicalConstant::pi*sqr(d);
-// // Film temperature [K]
-// const scalar Tf = (T + Tc)/2;
-
// Calculate diffision constant at continuous phase temperature
// and density [m^2/s]
const scalar D = D0_*(rho0_/rhoc)*pow(Tc/T0_, Dn_);
- // Molecular weight of O2 [kg/kmol]
- const scalar WO2 = owner().composition().carrierSpecies()[O2GlobalId_].W();
-
- // Molecular weight of CO2 [kg/kmol]
- const scalar WCO2 =
- owner().composition().carrierSpecies()[CO2GlobalId_].W();
-
- // Molecular weight of C [kg/kmol]
- const scalar WC = WCO2 - WO2;
-
// Far field partial pressure O2 [Pa]
- const scalar ppO2 = rhoO2/WO2*specie::RR*Tc;
+ const scalar ppO2 = rhoO2/WO2_*specie::RR*Tc;
// Molar emission rate of volatiles per unit surface area
const scalar qVol = sum(dMassVolatile)/(WVol_*Ap);
@@ -159,7 +147,6 @@ Foam::scalar Foam::COxidationMurphyShaddix::calculate
{
Pout<< "mass = " << mass << nl
<< "fComb = " << fComb << nl
- << "WC = " << WC << nl
<< "Ap = " << Ap << nl
<< "dt = " << dt << nl
<< "C = " << C << nl
@@ -170,7 +157,7 @@ Foam::scalar Foam::COxidationMurphyShaddix::calculate
scalar qCsOld = 0;
scalar qCs = 1;
- const scalar qCsLim = mass*fComb/(WC*Ap*dt);
+ const scalar qCsLim = mass*fComb/(WC_*Ap*dt);
if (debug)
{
@@ -207,14 +194,14 @@ Foam::scalar Foam::COxidationMurphyShaddix::calculate
scalar dOmega = qCs*Ap*dt;
// Add to carrier phase mass transfer
- dMassSRCarrier[O2GlobalId_] += -dOmega*WO2;
- dMassSRCarrier[CO2GlobalId_] += dOmega*WCO2;
+ dMassSRCarrier[O2GlobalId_] += -dOmega*WO2_;
+ dMassSRCarrier[CO2GlobalId_] += dOmega*(WC_ + WO2_);
// Add to particle mass transfer
- dMassSolid[CsLocalId_] = dOmega*WC;
+ dMassSolid[CsLocalId_] += dOmega*WC_;
// Heat of reaction
- return dOmega*dH0_*cos(mathematicalConstant::pi/2*T/TMaxdH_);
+ return HcCO2_*dOmega*WC_;
}
diff --git a/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationMurphyShaddix/COxidationMurphyShaddix.H b/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationMurphyShaddix/COxidationMurphyShaddix.H
index 5811fc085c4f4ebe0bf0c4622022cc1f9d086b8b..bc026db3646680cd1d9bac14d0f6f65d702c6544 100644
--- a/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationMurphyShaddix/COxidationMurphyShaddix.H
+++ b/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationMurphyShaddix/COxidationMurphyShaddix.H
@@ -26,7 +26,6 @@ Class
COxidationMurphyShaddix
Description
- Kinetics/diffusion limited rate surface reaction model for coal parcel
Limited to C(s) + O2 -> CO2
\*---------------------------------------------------------------------------*/
@@ -77,12 +76,6 @@ class COxidationMurphyShaddix
//- Effective molecular weight of gaseous volatiles
const scalar WVol_;
- //- Enthalpy retained by particle during surface combustion
- const scalar dH0_;
-
- //- TdHMax: dH = dH0_*cos(pi/2*Tp/TMaxdH_)
- const scalar TMaxdH_;
-
// Static constants
@@ -105,6 +98,18 @@ class COxidationMurphyShaddix
label CO2GlobalId_;
+ // 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_;
+
+
public:
//- Runtime type information