diff --git a/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationDiffusionLimitedRate/COxidationDiffusionLimitedRate.C b/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationDiffusionLimitedRate/COxidationDiffusionLimitedRate.C
index e36fd1cbfdc86aa2b0b10e20f895f015aefcf6dc..05daafb40396dc085121816b646c2b3fcb46f936 100644
--- a/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationDiffusionLimitedRate/COxidationDiffusionLimitedRate.C
+++ b/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationDiffusionLimitedRate/COxidationDiffusionLimitedRate.C
@@ -59,10 +59,10 @@ Foam::COxidationDiffusionLimitedRate::COxidationDiffusionLimitedRate
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();
+ WO2_ = owner().composition().carrierSpecies()[O2GlobalId_].W();
+ scalar WCO2 = owner().composition().carrierSpecies()[CO2GlobalId_].W();
WC_ = WCO2 - WO2_;
- HcCO2_ = owner().composition().gases()[CO2GlobalId_].Hc();
+ HcCO2_ = owner().composition().carrierSpecies()[CO2GlobalId_].Hc();
if (Sb_ < 0)
{
@@ -138,7 +138,7 @@ Foam::scalar Foam::COxidationDiffusionLimitedRate::calculate
const scalar dmO2 = dmC/WC_*Sb_*WO2_;
// Mass of newly created CO2 [kg]
- const scalar dmCO2 = dmC + dmO2;
+ const scalar dmCO2 = dmC + dmO2;
// Update local particle C mass
dMassSolid[CsLocalId_] += dmC;
diff --git a/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationKineticDiffusionLimitedRate/COxidationKineticDiffusionLimitedRate.C b/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationKineticDiffusionLimitedRate/COxidationKineticDiffusionLimitedRate.C
index a58094f29e3824116f92c24f6a104c9492d39aba..77e6ebee6a0d2e45bd18ac897c499a1eab329e55 100644
--- a/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationKineticDiffusionLimitedRate/COxidationKineticDiffusionLimitedRate.C
+++ b/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationKineticDiffusionLimitedRate/COxidationKineticDiffusionLimitedRate.C
@@ -62,10 +62,10 @@ COxidationKineticDiffusionLimitedRate
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();
+ WO2_ = owner().composition().carrierSpecies()[O2GlobalId_].W();
+ scalar WCO2 = owner().composition().carrierSpecies()[CO2GlobalId_].W();
WC_ = WCO2 - WO2_;
- HcCO2_ = owner().composition().gases()[CO2GlobalId_].Hc();
+ HcCO2_ = owner().composition().carrierSpecies()[CO2GlobalId_].Hc();
if (Sb_ < 0)
{
@@ -150,7 +150,7 @@ Foam::scalar Foam::COxidationKineticDiffusionLimitedRate::calculate
const scalar dmO2 = dmC/WC_*Sb_*WO2_;
// Mass of newly created CO2 [kg]
- const scalar dmCO2 = dmC + dmO2;
+ const scalar dmCO2 = dmC + dmO2;
// Update local particle C mass
dMassSolid[CsLocalId_] += dmC;
diff --git a/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationMurphyShaddix/COxidationMurphyShaddix.C b/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationMurphyShaddix/COxidationMurphyShaddix.C
index 10deb09404dc7f356badcf548c84faeb20047353..3b038010f752dab167c8c3c812481dcf0869f2a0 100644
--- a/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationMurphyShaddix/COxidationMurphyShaddix.C
+++ b/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationMurphyShaddix/COxidationMurphyShaddix.C
@@ -47,17 +47,16 @@ Foam::COxidationMurphyShaddix::COxidationMurphyShaddix
owner,
typeName
),
- coeffDict_(dict.subDict(typeName + "Coeffs")),
- D0_(dimensionedScalar(coeffDict_.lookup("D0")).value()),
- rho0_(dimensionedScalar(coeffDict_.lookup("rho0")).value()),
- T0_(dimensionedScalar(coeffDict_.lookup("T0")).value()),
- Dn_(dimensionedScalar(coeffDict_.lookup("Dn")).value()),
- A_(dimensionedScalar(coeffDict_.lookup("A")).value()),
- E_(dimensionedScalar(coeffDict_.lookup("E")).value()),
- n_(dimensionedScalar(coeffDict_.lookup("n")).value()),
- WVol_(dimensionedScalar(coeffDict_.lookup("WVol")).value()),
- dH0_(dimensionedScalar(coeffDict_.lookup("dH0")).value()),
- TMaxdH_(dimensionedScalar(coeffDict_.lookup("TmaxdH")).value()),
+ D0_(dimensionedScalar(this->coeffDict().lookup("D0")).value()),
+ rho0_(dimensionedScalar(this->coeffDict().lookup("rho0")).value()),
+ T0_(dimensionedScalar(this->coeffDict().lookup("T0")).value()),
+ Dn_(dimensionedScalar(this->coeffDict().lookup("Dn")).value()),
+ A_(dimensionedScalar(this->coeffDict().lookup("A")).value()),
+ 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)
@@ -138,16 +137,17 @@ Foam::scalar Foam::COxidationMurphyShaddix::calculate
const scalar D = D0_*(rho0_/rhoc)*pow(Tc/T0_, Dn_);
// Molecular weight of O2 [kg/kmol]
- const scalar WO2 = owner().composition().gases()[O2GlobalId_].W();
+ const scalar WO2 = owner().composition().carrierSpecies()[O2GlobalId_].W();
// Molecular weight of CO2 [kg/kmol]
- const scalar WCO2 = owner().composition().gases()[CO2GlobalId_].W();
+ 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 PO2 = 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);
@@ -155,25 +155,21 @@ Foam::scalar Foam::COxidationMurphyShaddix::calculate
// Total molar concentration of the carrier phase [kmol/m^3]
const scalar C = pc/(specie::RR*Tc);
- if (debug)
- {
- Pout << " C = " << C << endl;
- }
-
- // Molar reaction rate per unit surface area [kmol/(m^2.s)]
- scalar qCsOld = 0;
- scalar qCs = 1;
-
if (debug)
{
Pout<< "mass = " << mass << nl
<< "fComb = " << fComb << nl
<< "WC = " << WC << nl
<< "Ap = " << Ap << nl
- << "dt = " << dt
- << nl << endl;
+ << "dt = " << dt << nl
+ << "C = " << C << nl
+ << endl;
}
+ // Molar reaction rate per unit surface area [kmol/(m^2.s)]
+ scalar qCsOld = 0;
+ scalar qCs = 1;
+
const scalar qCsLim = mass*fComb/(WC*Ap*dt);
if (debug)
@@ -182,10 +178,10 @@ Foam::scalar Foam::COxidationMurphyShaddix::calculate
}
label iter = 0;
- while ((fabs(qCs - qCsOld)/qCs>tolerance_) && (iter<=maxIters_))
+ while ((mag(qCs - qCsOld)/qCs > tolerance_) && (iter <= maxIters_))
{
qCsOld = qCs;
- const scalar PO2Surface = PO2*exp(-(qCs + qVol)*d/(2*C*D));
+ const scalar PO2Surface = ppO2*exp(-(qCs + qVol)*d/(2*C*D));
qCs = A_*exp(-E_/(specie::RR*T))*pow(PO2Surface, n_);
qCs = (100.0*qCs + iter*qCsOld)/(100.0 + iter);
qCs = min(qCs, qCsLim);
diff --git a/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationMurphyShaddix/COxidationMurphyShaddix.H b/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationMurphyShaddix/COxidationMurphyShaddix.H
index 06bf1f404bec54c88a27b3755754769f4c1a4e75..7f972fc66656e160e62412a136821c8798593f0b 100644
--- a/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationMurphyShaddix/COxidationMurphyShaddix.H
+++ b/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationMurphyShaddix/COxidationMurphyShaddix.H
@@ -51,10 +51,6 @@ class COxidationMurphyShaddix
{
// Private data
- //- Coefficients dictionary
- const dictionary& coeffDict_;
-
-
// Model constants
//- Reference diffusion constant