diff --git a/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationDiffusionLimitedRate/COxidationDiffusionLimitedRate.C b/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationDiffusionLimitedRate/COxidationDiffusionLimitedRate.C
index f60e67099a94fece6951b1381b0a977350d3d390..1ac6efe24fcc153fbad4567fcb68d048af36279b 100644
--- a/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationDiffusionLimitedRate/COxidationDiffusionLimitedRate.C
+++ b/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationDiffusionLimitedRate/COxidationDiffusionLimitedRate.C
@@ -157,12 +157,15 @@ Foam::scalar Foam::COxidationDiffusionLimitedRate<CloudType>::calculate
dMassSRCarrier[O2GlobalId_] -= dmO2;
dMassSRCarrier[CO2GlobalId_] += dmCO2;
- const scalar HC = thermo.solids().properties()[CsLocalId_].H(T);
+ const scalar HsC = thermo.solids().properties()[CsLocalId_].Hs(T);
const scalar HCO2 = thermo.carrier().H(CO2GlobalId_, T);
- const scalar HO2 = thermo.carrier().H(O2GlobalId_, T);
+
+ // carrier enthalpy transfer handled by change in composition
+ // const scalar HsO2 = thermo.carrier().Hs(O2GlobalId_, T);
+ // dhsTrans -= dmO2*HsO2;
// Heat of reaction [J]
- return dmC*HC + dmO2*HO2 - dmCO2*HCO2;
+ return dmC*HsC - dmCO2*HCO2;
}
diff --git a/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationKineticDiffusionLimitedRate/COxidationKineticDiffusionLimitedRate.C b/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationKineticDiffusionLimitedRate/COxidationKineticDiffusionLimitedRate.C
index ef32b558f3525d5da7f15e3b0a3ffaaa160faa31..5f717530abb838483264d09e25fcc61c38839726 100644
--- a/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationKineticDiffusionLimitedRate/COxidationKineticDiffusionLimitedRate.C
+++ b/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationKineticDiffusionLimitedRate/COxidationKineticDiffusionLimitedRate.C
@@ -160,12 +160,15 @@ Foam::scalar Foam::COxidationKineticDiffusionLimitedRate<CloudType>::calculate
dMassSRCarrier[O2GlobalId_] -= dmO2;
dMassSRCarrier[CO2GlobalId_] += dmCO2;
- const scalar HC = thermo.solids().properties()[CsLocalId_].H(T);
+ const scalar HsC = thermo.solids().properties()[CsLocalId_].Hs(T);
const scalar HCO2 = thermo.carrier().H(CO2GlobalId_, T);
- const scalar HO2 = thermo.carrier().H(O2GlobalId_, T);
+
+ // carrier enthalpy transfer handled by change in composition
+ // const scalar HsO2 = thermo.carrier().Hs(O2GlobalId_, T);
+ // dhsTrans -= dmO2*HsO2;
// Heat of reaction [J]
- return dmC*HC + dmO2*HO2 - dmCO2*HCO2;
+ return dmC*HsC - dmCO2*HCO2;
}
diff --git a/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationMurphyShaddix/COxidationMurphyShaddix.C b/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationMurphyShaddix/COxidationMurphyShaddix.C
index a26b8242de19a396449664eeeffc2c504075105f..c2ba2899a7b809e56264284525f770fdb372c717 100644
--- a/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationMurphyShaddix/COxidationMurphyShaddix.C
+++ b/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationMurphyShaddix/COxidationMurphyShaddix.C
@@ -220,12 +220,15 @@ Foam::scalar Foam::COxidationMurphyShaddix<CloudType>::calculate
// Add to particle mass transfer
dMassSolid[CsLocalId_] += dOmega*WC_;
- const scalar HC = thermo.solids().properties()[CsLocalId_].H(T);
+ const scalar HsC = thermo.solids().properties()[CsLocalId_].Hs(T);
const scalar HCO2 = thermo.carrier().H(CO2GlobalId_, T);
- const scalar HO2 = thermo.carrier().H(O2GlobalId_, T);
+
+ // carrier enthalpy transfer handled by change in composition
+ // const scalar HsO2 = thermo.carrier().Hs(O2GlobalId_, T);
+ // dhsTrans -= dmO2*HsO2;
// Heat of reaction
- return dOmega*(WC_*HC + WO2_*HO2 - (WC_ + WO2_)*HCO2);
+ return dOmega*(WC_*HsC - (WC_ + WO2_)*HCO2);
}
diff --git a/src/lagrangian/intermediate/parcels/Templates/ReactingMultiphaseParcel/ReactingMultiphaseParcel.C b/src/lagrangian/intermediate/parcels/Templates/ReactingMultiphaseParcel/ReactingMultiphaseParcel.C
index fcad1a4ed3be5833a05df040c100dec90b4ff089..336b3ef705b897c1da725b6aaeb07f2109d6ec77 100644
--- a/src/lagrangian/intermediate/parcels/Templates/ReactingMultiphaseParcel/ReactingMultiphaseParcel.C
+++ b/src/lagrangian/intermediate/parcels/Templates/ReactingMultiphaseParcel/ReactingMultiphaseParcel.C
@@ -165,6 +165,11 @@ void Foam::ReactingMultiphaseParcel<ParcelType>::calc
const label cellI
)
{
+ typedef typename TrackData::cloudType::reactingCloudType reactingCloudType;
+ const CompositionModel<reactingCloudType>& composition =
+ td.cloud().composition();
+
+
// Define local properties at beginning of timestep
// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
const scalar np0 = this->nParticle_;
@@ -178,9 +183,9 @@ void Foam::ReactingMultiphaseParcel<ParcelType>::calc
const scalar pc = this->pc_;
const scalarField& YMix = this->Y_;
- const label idG = td.cloud().composition().idGas();
- const label idL = td.cloud().composition().idLiquid();
- const label idS = td.cloud().composition().idSolid();
+ const label idG = composition.idGas();
+ const label idL = composition.idLiquid();
+ const label idS = composition.idSolid();
// Calc surface values
@@ -221,7 +226,7 @@ void Foam::ReactingMultiphaseParcel<ParcelType>::calc
scalar NCpW = 0.0;
// Surface concentrations of emitted species
- scalarField Cs(td.cloud().composition().carrier().species().size(), 0.0);
+ scalarField Cs(composition.carrier().species().size(), 0.0);
// Calc mass and enthalpy transfer due to phase change
this->calcPhaseChange
@@ -271,10 +276,6 @@ void Foam::ReactingMultiphaseParcel<ParcelType>::calc
Cs
);
- // Correct surface values due to emitted species
- this->correctSurfaceValues(td, cellI, Ts, Cs, rhos, mus, Prs, kappas);
- Res = this->Re(U0, d0, rhos, mus);
-
// Surface reactions
// ~~~~~~~~~~~~~~~~~
@@ -283,13 +284,9 @@ void Foam::ReactingMultiphaseParcel<ParcelType>::calc
scalarField dMassSRGas(YGas_.size(), 0.0);
scalarField dMassSRLiquid(YLiquid_.size(), 0.0);
scalarField dMassSRSolid(YSolid_.size(), 0.0);
- scalarField dMassSRCarrier
- (
- td.cloud().composition().carrier().species().size(),
- 0.0
- );
+ scalarField dMassSRCarrier(composition.carrier().species().size(), 0.0);
- // Clac mass and enthalpy transfer due to surface reactions
+ // Calc mass and enthalpy transfer due to surface reactions
calcSurfaceReactions
(
td,
@@ -313,6 +310,11 @@ void Foam::ReactingMultiphaseParcel<ParcelType>::calc
);
+ // Correct surface values due to emitted species
+ this->correctSurfaceValues(td, cellI, Ts, Cs, rhos, mus, Prs, kappas);
+ Res = this->Re(U0, d0, rhos, mus);
+
+
// Update component mass fractions
// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
@@ -324,6 +326,8 @@ void Foam::ReactingMultiphaseParcel<ParcelType>::calc
updateMassFractions(mass0, dMassGas, dMassLiquid, dMassSolid);
+
+
// Heat transfer
// ~~~~~~~~~~~~~
@@ -380,25 +384,33 @@ void Foam::ReactingMultiphaseParcel<ParcelType>::calc
// Transfer mass lost from particle to carrier mass source
forAll(YGas_, i)
{
- label gid = td.cloud().composition().localToGlobalCarrierId(GAS, i);
+ label gid = composition.localToGlobalCarrierId(GAS, i);
td.cloud().rhoTrans(gid)[cellI] += np0*dMassGas[i];
+// td.cloud().hsTrans()[cellI] +=
+// np0*dMassGas[i]*composition.carrier().Hs(gid, T0);
}
forAll(YLiquid_, i)
{
- label gid = td.cloud().composition().localToGlobalCarrierId(LIQ, i);
+ label gid = composition.localToGlobalCarrierId(LIQ, i);
td.cloud().rhoTrans(gid)[cellI] += np0*dMassLiquid[i];
+// td.cloud().hsTrans()[cellI] +=
+// np0*dMassLiquid[i]*composition.carrier().Hs(gid, T0);
}
/*
// No mapping between solid components and carrier phase
forAll(YSolid_, i)
{
- label gid = td.cloud().composition().localToGlobalCarrierId(SLD, i);
+ label gid = composition.localToGlobalCarrierId(SLD, i);
td.cloud().rhoTrans(gid)[cellI] += np0*dMassSolid[i];
+// td.cloud().hsTrans()[cellI] +=
+// np0*dMassSolid[i]*composition.carrier().Hs(gid, T0);
}
*/
forAll(dMassSRCarrier, i)
{
td.cloud().rhoTrans(i)[cellI] += np0*dMassSRCarrier[i];
+// td.cloud().hsTrans()[cellI] +=
+// np0*dMassSRCarrier[i]*composition.carrier().Hs(i, T0);
}
// Update momentum transfer
@@ -427,14 +439,12 @@ void Foam::ReactingMultiphaseParcel<ParcelType>::calc
// Absorb parcel into carrier phase
forAll(YGas_, i)
{
- label gid =
- td.cloud().composition().localToGlobalCarrierId(GAS, i);
+ label gid = composition.localToGlobalCarrierId(GAS, i);
td.cloud().rhoTrans(gid)[cellI] += np0*mass1*YMix[GAS]*YGas_[i];
}
forAll(YLiquid_, i)
{
- label gid =
- td.cloud().composition().localToGlobalCarrierId(LIQ, i);
+ label gid = composition.localToGlobalCarrierId(LIQ, i);
td.cloud().rhoTrans(gid)[cellI] +=
np0*mass1*YMix[LIQ]*YLiquid_[i];
}
@@ -442,8 +452,7 @@ void Foam::ReactingMultiphaseParcel<ParcelType>::calc
// No mapping between solid components and carrier phase
forAll(YSolid_, i)
{
- label gid =
- td.cloud().composition().localToGlobalCarrierId(SLD, i);
+ label gid = composition.localToGlobalCarrierId(SLD, i);
td.cloud().rhoTrans(gid)[cellI] +=
np0*mass1*YMix[SLD]*YSolid_[i];
}
@@ -508,6 +517,11 @@ void Foam::ReactingMultiphaseParcel<ParcelType>::calcDevolatilisation
return;
}
+ typedef typename TrackData::cloudType::reactingCloudType reactingCloudType;
+ const CompositionModel<reactingCloudType>& composition =
+ td.cloud().composition();
+
+
// Total mass of volatiles evolved
td.cloud().devolatilisation().calculate
(
@@ -535,10 +549,9 @@ void Foam::ReactingMultiphaseParcel<ParcelType>::calcDevolatilisation
// Note: hardcoded gaseous diffusivities for now
// TODO: add to carrier thermo
const scalar beta = sqr(cbrt(15.0) + cbrt(15.0));
- const label id =
- td.cloud().composition().localToGlobalCarrierId(GAS, i);
- const scalar Cp = td.cloud().composition().carrier().Cp(id, Ts);
- const scalar W = td.cloud().composition().carrier().W(id);
+ const label id = composition.localToGlobalCarrierId(GAS, i);
+ const scalar Cp = composition.carrier().Cp(id, Ts);
+ const scalar W = composition.carrier().W(id);
const scalar Ni = dMassDV[i]/(this->areaS(d)*dt*W);
// Dab calc'd using API vapour mass diffusivity function
diff --git a/src/lagrangian/intermediate/parcels/Templates/ReactingParcel/ReactingParcel.C b/src/lagrangian/intermediate/parcels/Templates/ReactingParcel/ReactingParcel.C
index 855439b8939c627987e8aeae7ddf1104a94aac3e..11e61d8581d5ec1c187245d505f087e9142ffabb 100644
--- a/src/lagrangian/intermediate/parcels/Templates/ReactingParcel/ReactingParcel.C
+++ b/src/lagrangian/intermediate/parcels/Templates/ReactingParcel/ReactingParcel.C
@@ -252,6 +252,11 @@ void Foam::ReactingParcel<ParcelType>::calc
const label cellI
)
{
+ typedef typename TrackData::cloudType::reactingCloudType reactingCloudType;
+ const CompositionModel<reactingCloudType>& composition =
+ td.cloud().composition();
+
+
// Define local properties at beginning of time step
// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
const scalar np0 = this->nParticle_;
@@ -301,7 +306,7 @@ void Foam::ReactingParcel<ParcelType>::calc
scalar NCpW = 0.0;
// Surface concentrations of emitted species
- scalarField Cs(td.cloud().composition().carrier().species().size(), 0.0);
+ scalarField Cs(composition.carrier().species().size(), 0.0);
// Calc mass and enthalpy transfer due to phase change
calcPhaseChange
@@ -389,8 +394,10 @@ void Foam::ReactingParcel<ParcelType>::calc
// Transfer mass lost from particle to carrier mass source
forAll(dMassPC, i)
{
- label gid = td.cloud().composition().localToGlobalCarrierId(0, i);
+ label gid = composition.localToGlobalCarrierId(0, i);
td.cloud().rhoTrans(gid)[cellI] += np0*dMassPC[i];
+// td.cloud().hsTrans()[cellI] +=
+// np0*dMassPC[i]*composition.carrier().Hs(gid, T0);
}
// Update momentum transfer
@@ -418,13 +425,12 @@ void Foam::ReactingParcel<ParcelType>::calc
// Absorb parcel into carrier phase
forAll(Y_, i)
{
- label gid =
- td.cloud().composition().localToGlobalCarrierId(0, i);
+ label gid = composition.localToGlobalCarrierId(0, i);
td.cloud().rhoTrans(gid)[cellI] += np0*mass1*Y_[i];
}
td.cloud().UTrans()[cellI] += np0*mass1*U1;
td.cloud().hsTrans()[cellI] +=
- np0*mass1*td.cloud().composition().H(0, Y_, pc_, T1);
+ np0*mass1*composition.H(0, Y_, pc_, T1);
}
}
@@ -434,7 +440,7 @@ void Foam::ReactingParcel<ParcelType>::calc
else
{
- this->Cp_ = td.cloud().composition().Cp(0, Y_, pc_, T1);
+ this->Cp_ = composition.Cp(0, Y_, pc_, T1);
this->T_ = T1;
this->U_ = U1;
@@ -484,6 +490,11 @@ void Foam::ReactingParcel<ParcelType>::calcPhaseChange
return;
}
+ typedef typename TrackData::cloudType::reactingCloudType reactingCloudType;
+ const CompositionModel<reactingCloudType>& composition =
+ td.cloud().composition();
+
+
// Calculate mass transfer due to phase change
td.cloud().phaseChange().calculate
(
@@ -511,19 +522,18 @@ void Foam::ReactingParcel<ParcelType>::calcPhaseChange
forAll(YComponents, i)
{
- const label idc =
- td.cloud().composition().localToGlobalCarrierId(idPhase, i);
- const label idl = td.cloud().composition().globalIds(idPhase)[i];
+ const label idc = composition.localToGlobalCarrierId(idPhase, i);
+ const label idl = composition.globalIds(idPhase)[i];
const scalar dh = td.cloud().phaseChange().dh(idc, idl, pc_, T);
Sh -= dMassPC[i]*dh/dt;
// Update particle surface thermo properties
const scalar Dab =
- td.cloud().composition().liquids().properties()[idl].D(pc_, Ts, Wc);
+ composition.liquids().properties()[idl].D(pc_, Ts, Wc);
- const scalar Cp = td.cloud().composition().carrier().Cp(idc, Ts);
- const scalar W = td.cloud().composition().carrier().W(idc);
+ const scalar Cp = composition.carrier().Cp(idc, Ts);
+ const scalar W = composition.carrier().W(idc);
const scalar Ni = dMassPC[i]/(this->areaS(d)*dt*W);
// Molar flux of species coming from the particle (kmol/m^2/s)
diff --git a/src/lagrangian/intermediate/parcels/Templates/ThermoParcel/ThermoParcel.C b/src/lagrangian/intermediate/parcels/Templates/ThermoParcel/ThermoParcel.C
index 53a8e5545e703179369c18283446bbc500760a8b..6397e29437797466a8a629d8ac9800bd8b982318 100644
--- a/src/lagrangian/intermediate/parcels/Templates/ThermoParcel/ThermoParcel.C
+++ b/src/lagrangian/intermediate/parcels/Templates/ThermoParcel/ThermoParcel.C
@@ -208,8 +208,8 @@ void Foam::ThermoParcel<ParcelType>::calc
// Sum Ni*Cpi*Wi of emission species
scalar NCpW = 0.0;
- // Calculate new particle velocity
- scalar Cuh = 0.0;
+ // Calculate new particle temperature
+ scalar Sph = 0.0;
scalar T1 =
this->calcHeatTransfer
(
@@ -226,7 +226,7 @@ void Foam::ThermoParcel<ParcelType>::calc
NCpW,
Sh,
dhsTrans,
- Cuh
+ Sph
);
@@ -267,7 +267,7 @@ void Foam::ThermoParcel<ParcelType>::calc
td.cloud().hsTrans()[cellI] += np0*dhsTrans;
// Update sensible enthalpy coefficient
- td.cloud().hsCoeff()[cellI] += np0*Cuh*this->areaS();
+ td.cloud().hsCoeff()[cellI] += np0*Sph;
}
// Set new particle properties
@@ -294,7 +294,7 @@ Foam::scalar Foam::ThermoParcel<ParcelType>::calcHeatTransfer
const scalar NCpW,
const scalar Sh,
scalar& dhsTrans,
- scalar& Cuh
+ scalar& Sph
)
{
if (!td.cloud().heatTransfer().active())
@@ -317,6 +317,7 @@ Foam::scalar Foam::ThermoParcel<ParcelType>::calcHeatTransfer
htc = max(htc, ROOTVSMALL);
const scalar As = this->areaS(d);
+
scalar ap = Tc_ + Sh/As/htc;
scalar bp = 6.0*(Sh/As + htc*(Tc_ - T));
if (td.cloud().radiation())
@@ -337,9 +338,9 @@ Foam::scalar Foam::ThermoParcel<ParcelType>::calcHeatTransfer
scalar Tnew = max(Tres.value(), td.cloud().constProps().TMin());
- dhsTrans += dt*htc*As*(0.5*(T + Tnew) - Tc_);
+ Sph = dt*htc*As;
- Cuh = dt*bp;
+ dhsTrans += Sph*(0.5*(T + Tnew) - Tc_);
return Tnew;
}
diff --git a/src/lagrangian/intermediate/parcels/Templates/ThermoParcel/ThermoParcel.H b/src/lagrangian/intermediate/parcels/Templates/ThermoParcel/ThermoParcel.H
index e47e1da48a60ba7ca4153b9fa7629484fea7a5b2..c8fe14ad1a6eaa337f7c64f62d8c030bd3a7faf2 100644
--- a/src/lagrangian/intermediate/parcels/Templates/ThermoParcel/ThermoParcel.H
+++ b/src/lagrangian/intermediate/parcels/Templates/ThermoParcel/ThermoParcel.H
@@ -243,7 +243,7 @@ protected:
const scalar NCpW, // Sum of N*Cp*W of emission species
const scalar Sh, // explicit particle enthalpy source
scalar& dhsTrans, // sensible enthalpy transfer to carrier
- scalar& Cuh // linearised heat transfer coefficient
+ scalar& Sph // linearised heat transfer coefficient
);