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ENH: updated parcel energy coupling + style updates

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This commit is contained in:
andy
2011-03-23 16:07:59 +00:00
parent d94985a94b
commit 11556949d1
7 changed files with 89 additions and 56 deletions
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9
src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationDiffusionLimitedRate/COxidationDiffusionLimitedRate.C
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@ -157,12 +157,15 @@ Foam::scalar Foam::COxidationDiffusionLimitedRate<CloudType>::calculate
dMassSRCarrier[O2GlobalId_] -= dmO2; dMassSRCarrier[O2GlobalId_] -= dmO2;
dMassSRCarrier[CO2GlobalId_] += dmCO2; 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 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] // Heat of reaction [J]
return dmC*HC + dmO2*HO2 - dmCO2*HCO2; return dmC*HsC - dmCO2*HCO2;
} }

9
src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationKineticDiffusionLimitedRate/COxidationKineticDiffusionLimitedRate.C
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@ -160,12 +160,15 @@ Foam::scalar Foam::COxidationKineticDiffusionLimitedRate<CloudType>::calculate
dMassSRCarrier[O2GlobalId_] -= dmO2; dMassSRCarrier[O2GlobalId_] -= dmO2;
dMassSRCarrier[CO2GlobalId_] += dmCO2; 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 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] // Heat of reaction [J]
return dmC*HC + dmO2*HO2 - dmCO2*HCO2; return dmC*HsC - dmCO2*HCO2;
} }

9
src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationMurphyShaddix/COxidationMurphyShaddix.C
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@ -220,12 +220,15 @@ Foam::scalar Foam::COxidationMurphyShaddix<CloudType>::calculate
// Add to particle mass transfer // Add to particle mass transfer
dMassSolid[CsLocalId_] += dOmega*WC_; 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 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 // Heat of reaction
return dOmega*(WC_*HC + WO2_*HO2 - (WC_ + WO2_)*HCO2); return dOmega*(WC_*HsC - (WC_ + WO2_)*HCO2);
} }

67
src/lagrangian/intermediate/parcels/Templates/ReactingMultiphaseParcel/ReactingMultiphaseParcel.C
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@ -165,6 +165,11 @@ void Foam::ReactingMultiphaseParcel<ParcelType>::calc
const label cellI const label cellI
) )
{ {
typedef typename TrackData::cloudType::reactingCloudType reactingCloudType;
const CompositionModel<reactingCloudType>& composition =
td.cloud().composition();
// Define local properties at beginning of timestep // Define local properties at beginning of timestep
// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ // ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
const scalar np0 = this->nParticle_; const scalar np0 = this->nParticle_;
@ -178,9 +183,9 @@ void Foam::ReactingMultiphaseParcel<ParcelType>::calc
const scalar pc = this->pc_; const scalar pc = this->pc_;
const scalarField& YMix = this->Y_; const scalarField& YMix = this->Y_;
const label idG = td.cloud().composition().idGas(); const label idG = composition.idGas();
const label idL = td.cloud().composition().idLiquid(); const label idL = composition.idLiquid();
const label idS = td.cloud().composition().idSolid(); const label idS = composition.idSolid();
// Calc surface values // Calc surface values
@ -221,7 +226,7 @@ void Foam::ReactingMultiphaseParcel<ParcelType>::calc
scalar NCpW = 0.0; scalar NCpW = 0.0;
// Surface concentrations of emitted species // 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 // Calc mass and enthalpy transfer due to phase change
this->calcPhaseChange this->calcPhaseChange
@ -271,10 +276,6 @@ void Foam::ReactingMultiphaseParcel<ParcelType>::calc
Cs 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 // Surface reactions
// ~~~~~~~~~~~~~~~~~ // ~~~~~~~~~~~~~~~~~
@ -283,13 +284,9 @@ void Foam::ReactingMultiphaseParcel<ParcelType>::calc
scalarField dMassSRGas(YGas_.size(), 0.0); scalarField dMassSRGas(YGas_.size(), 0.0);
scalarField dMassSRLiquid(YLiquid_.size(), 0.0); scalarField dMassSRLiquid(YLiquid_.size(), 0.0);
scalarField dMassSRSolid(YSolid_.size(), 0.0); scalarField dMassSRSolid(YSolid_.size(), 0.0);
scalarField dMassSRCarrier scalarField dMassSRCarrier(composition.carrier().species().size(), 0.0);
(
td.cloud().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 calcSurfaceReactions
( (
td, 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 // Update component mass fractions
// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ // ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
@ -324,6 +326,8 @@ void Foam::ReactingMultiphaseParcel<ParcelType>::calc
updateMassFractions(mass0, dMassGas, dMassLiquid, dMassSolid); updateMassFractions(mass0, dMassGas, dMassLiquid, dMassSolid);
// Heat transfer // Heat transfer
// ~~~~~~~~~~~~~ // ~~~~~~~~~~~~~
@ -380,25 +384,33 @@ void Foam::ReactingMultiphaseParcel<ParcelType>::calc
// Transfer mass lost from particle to carrier mass source // Transfer mass lost from particle to carrier mass source
forAll(YGas_, i) 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().rhoTrans(gid)[cellI] += np0*dMassGas[i];
// td.cloud().hsTrans()[cellI] +=
// np0*dMassGas[i]*composition.carrier().Hs(gid, T0);
} }
forAll(YLiquid_, i) 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().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 // No mapping between solid components and carrier phase
forAll(YSolid_, i) 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().rhoTrans(gid)[cellI] += np0*dMassSolid[i];
// td.cloud().hsTrans()[cellI] +=
// np0*dMassSolid[i]*composition.carrier().Hs(gid, T0);
} }
*/ */
forAll(dMassSRCarrier, i) forAll(dMassSRCarrier, i)
{ {
td.cloud().rhoTrans(i)[cellI] += np0*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 // Update momentum transfer
@ -427,14 +439,12 @@ void Foam::ReactingMultiphaseParcel<ParcelType>::calc
// Absorb parcel into carrier phase // Absorb parcel into carrier phase
forAll(YGas_, i) forAll(YGas_, i)
{ {
label gid = label gid = composition.localToGlobalCarrierId(GAS, i);
td.cloud().composition().localToGlobalCarrierId(GAS, i);
td.cloud().rhoTrans(gid)[cellI] += np0*mass1*YMix[GAS]*YGas_[i]; td.cloud().rhoTrans(gid)[cellI] += np0*mass1*YMix[GAS]*YGas_[i];
} }
forAll(YLiquid_, i) forAll(YLiquid_, i)
{ {
label gid = label gid = composition.localToGlobalCarrierId(LIQ, i);
td.cloud().composition().localToGlobalCarrierId(LIQ, i);
td.cloud().rhoTrans(gid)[cellI] += td.cloud().rhoTrans(gid)[cellI] +=
np0*mass1*YMix[LIQ]*YLiquid_[i]; np0*mass1*YMix[LIQ]*YLiquid_[i];
} }
@ -442,8 +452,7 @@ void Foam::ReactingMultiphaseParcel<ParcelType>::calc
// No mapping between solid components and carrier phase // No mapping between solid components and carrier phase
forAll(YSolid_, i) forAll(YSolid_, i)
{ {
label gid = label gid = composition.localToGlobalCarrierId(SLD, i);
td.cloud().composition().localToGlobalCarrierId(SLD, i);
td.cloud().rhoTrans(gid)[cellI] += td.cloud().rhoTrans(gid)[cellI] +=
np0*mass1*YMix[SLD]*YSolid_[i]; np0*mass1*YMix[SLD]*YSolid_[i];
} }
@ -508,6 +517,11 @@ void Foam::ReactingMultiphaseParcel<ParcelType>::calcDevolatilisation
return; return;
} }
typedef typename TrackData::cloudType::reactingCloudType reactingCloudType;
const CompositionModel<reactingCloudType>& composition =
td.cloud().composition();
// Total mass of volatiles evolved // Total mass of volatiles evolved
td.cloud().devolatilisation().calculate td.cloud().devolatilisation().calculate
( (
@ -535,10 +549,9 @@ void Foam::ReactingMultiphaseParcel<ParcelType>::calcDevolatilisation
// Note: hardcoded gaseous diffusivities for now // Note: hardcoded gaseous diffusivities for now
// TODO: add to carrier thermo // TODO: add to carrier thermo
const scalar beta = sqr(cbrt(15.0) + cbrt(15.0)); const scalar beta = sqr(cbrt(15.0) + cbrt(15.0));
const label id = const label id = composition.localToGlobalCarrierId(GAS, i);
td.cloud().composition().localToGlobalCarrierId(GAS, i); const scalar Cp = composition.carrier().Cp(id, Ts);
const scalar Cp = td.cloud().composition().carrier().Cp(id, Ts); const scalar W = composition.carrier().W(id);
const scalar W = td.cloud().composition().carrier().W(id);
const scalar Ni = dMassDV[i]/(this->areaS(d)*dt*W); const scalar Ni = dMassDV[i]/(this->areaS(d)*dt*W);
// Dab calc'd using API vapour mass diffusivity function // Dab calc'd using API vapour mass diffusivity function

34
src/lagrangian/intermediate/parcels/Templates/ReactingParcel/ReactingParcel.C
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@ -252,6 +252,11 @@ void Foam::ReactingParcel<ParcelType>::calc
const label cellI const label cellI
) )
{ {
typedef typename TrackData::cloudType::reactingCloudType reactingCloudType;
const CompositionModel<reactingCloudType>& composition =
td.cloud().composition();
// Define local properties at beginning of time step // Define local properties at beginning of time step
// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ // ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
const scalar np0 = this->nParticle_; const scalar np0 = this->nParticle_;
@ -301,7 +306,7 @@ void Foam::ReactingParcel<ParcelType>::calc
scalar NCpW = 0.0; scalar NCpW = 0.0;
// Surface concentrations of emitted species // 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 // Calc mass and enthalpy transfer due to phase change
calcPhaseChange calcPhaseChange
@ -389,8 +394,10 @@ void Foam::ReactingParcel<ParcelType>::calc
// Transfer mass lost from particle to carrier mass source // Transfer mass lost from particle to carrier mass source
forAll(dMassPC, i) 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().rhoTrans(gid)[cellI] += np0*dMassPC[i];
// td.cloud().hsTrans()[cellI] +=
// np0*dMassPC[i]*composition.carrier().Hs(gid, T0);
} }
// Update momentum transfer // Update momentum transfer
@ -418,13 +425,12 @@ void Foam::ReactingParcel<ParcelType>::calc
// Absorb parcel into carrier phase // Absorb parcel into carrier phase
forAll(Y_, i) forAll(Y_, i)
{ {
label gid = label gid = composition.localToGlobalCarrierId(0, i);
td.cloud().composition().localToGlobalCarrierId(0, i);
td.cloud().rhoTrans(gid)[cellI] += np0*mass1*Y_[i]; td.cloud().rhoTrans(gid)[cellI] += np0*mass1*Y_[i];
} }
td.cloud().UTrans()[cellI] += np0*mass1*U1; td.cloud().UTrans()[cellI] += np0*mass1*U1;
td.cloud().hsTrans()[cellI] += 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 else
{ {
this->Cp_ = td.cloud().composition().Cp(0, Y_, pc_, T1); this->Cp_ = composition.Cp(0, Y_, pc_, T1);
this->T_ = T1; this->T_ = T1;
this->U_ = U1; this->U_ = U1;
@ -484,6 +490,11 @@ void Foam::ReactingParcel<ParcelType>::calcPhaseChange
return; return;
} }
typedef typename TrackData::cloudType::reactingCloudType reactingCloudType;
const CompositionModel<reactingCloudType>& composition =
td.cloud().composition();
// Calculate mass transfer due to phase change // Calculate mass transfer due to phase change
td.cloud().phaseChange().calculate td.cloud().phaseChange().calculate
( (
@ -511,19 +522,18 @@ void Foam::ReactingParcel<ParcelType>::calcPhaseChange
forAll(YComponents, i) forAll(YComponents, i)
{ {
const label idc = const label idc = composition.localToGlobalCarrierId(idPhase, i);
td.cloud().composition().localToGlobalCarrierId(idPhase, i); const label idl = composition.globalIds(idPhase)[i];
const label idl = td.cloud().composition().globalIds(idPhase)[i];
const scalar dh = td.cloud().phaseChange().dh(idc, idl, pc_, T); const scalar dh = td.cloud().phaseChange().dh(idc, idl, pc_, T);
Sh -= dMassPC[i]*dh/dt; Sh -= dMassPC[i]*dh/dt;
// Update particle surface thermo properties // Update particle surface thermo properties
const scalar Dab = 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 Cp = composition.carrier().Cp(idc, Ts);
const scalar W = td.cloud().composition().carrier().W(idc); const scalar W = composition.carrier().W(idc);
const scalar Ni = dMassPC[i]/(this->areaS(d)*dt*W); const scalar Ni = dMassPC[i]/(this->areaS(d)*dt*W);
// Molar flux of species coming from the particle (kmol/m^2/s) // Molar flux of species coming from the particle (kmol/m^2/s)

15
src/lagrangian/intermediate/parcels/Templates/ThermoParcel/ThermoParcel.C
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@ -208,8 +208,8 @@ void Foam::ThermoParcel<ParcelType>::calc
// Sum Ni*Cpi*Wi of emission species // Sum Ni*Cpi*Wi of emission species
scalar NCpW = 0.0; scalar NCpW = 0.0;
// Calculate new particle velocity // Calculate new particle temperature
scalar Cuh = 0.0; scalar Sph = 0.0;
scalar T1 = scalar T1 =
this->calcHeatTransfer this->calcHeatTransfer
( (
@ -226,7 +226,7 @@ void Foam::ThermoParcel<ParcelType>::calc
NCpW, NCpW,
Sh, Sh,
dhsTrans, dhsTrans,
Cuh Sph
); );
@ -267,7 +267,7 @@ void Foam::ThermoParcel<ParcelType>::calc
td.cloud().hsTrans()[cellI] += np0*dhsTrans; td.cloud().hsTrans()[cellI] += np0*dhsTrans;
// Update sensible enthalpy coefficient // Update sensible enthalpy coefficient
td.cloud().hsCoeff()[cellI] += np0*Cuh*this->areaS(); td.cloud().hsCoeff()[cellI] += np0*Sph;
} }
// Set new particle properties // Set new particle properties
@ -294,7 +294,7 @@ Foam::scalar Foam::ThermoParcel<ParcelType>::calcHeatTransfer
const scalar NCpW, const scalar NCpW,
const scalar Sh, const scalar Sh,
scalar& dhsTrans, scalar& dhsTrans,
scalar& Cuh scalar& Sph
) )
{ {
if (!td.cloud().heatTransfer().active()) if (!td.cloud().heatTransfer().active())
@ -317,6 +317,7 @@ Foam::scalar Foam::ThermoParcel<ParcelType>::calcHeatTransfer
htc = max(htc, ROOTVSMALL); htc = max(htc, ROOTVSMALL);
const scalar As = this->areaS(d); const scalar As = this->areaS(d);
scalar ap = Tc_ + Sh/As/htc; scalar ap = Tc_ + Sh/As/htc;
scalar bp = 6.0*(Sh/As + htc*(Tc_ - T)); scalar bp = 6.0*(Sh/As + htc*(Tc_ - T));
if (td.cloud().radiation()) if (td.cloud().radiation())
@ -337,9 +338,9 @@ Foam::scalar Foam::ThermoParcel<ParcelType>::calcHeatTransfer
scalar Tnew = max(Tres.value(), td.cloud().constProps().TMin()); 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; return Tnew;
} }

2
src/lagrangian/intermediate/parcels/Templates/ThermoParcel/ThermoParcel.H
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@ -243,7 +243,7 @@ protected:
const scalar NCpW, // Sum of N*Cp*W of emission species const scalar NCpW, // Sum of N*Cp*W of emission species
const scalar Sh, // explicit particle enthalpy source const scalar Sh, // explicit particle enthalpy source
scalar& dhsTrans, // sensible enthalpy transfer to carrier scalar& dhsTrans, // sensible enthalpy transfer to carrier
scalar& Cuh // linearised heat transfer coefficient scalar& Sph // linearised heat transfer coefficient
); );