ENH: Updated coal parcel surface reaction models

src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationDiffusionLimitedRate/COxidationDiffusionLimitedRate.C

@@ -44,7 +44,8 @@ Foam::COxidationDiffusionLimitedRate<CloudType>::COxidationDiffusionLimitedRate
     O2GlobalId_(owner.composition().globalCarrierId("O2")),
     CO2GlobalId_(owner.composition().globalCarrierId("CO2")),
     WC_(0.0),
-    WO2_(0.0)
+    WO2_(0.0),
+    HcCO2_(0.0)
 {
     // Determine Cs ids
     label idSolid = owner.composition().idSolid();
@@ -55,6 +56,8 @@ Foam::COxidationDiffusionLimitedRate<CloudType>::COxidationDiffusionLimitedRate
     const scalar WCO2 = owner.thermo().carrier().W(CO2GlobalId_);
     WC_ = WCO2 - WO2_;
 
+    HcCO2_ = owner.thermo().carrier().Hc(CO2GlobalId_);
+
     if (Sb_ < 0)
     {
         FatalErrorIn
@@ -158,14 +161,11 @@ Foam::scalar Foam::COxidationDiffusionLimitedRate<CloudType>::calculate
     dMassSRCarrier[CO2GlobalId_] += dmCO2;
 
     const scalar HsC = thermo.solids().properties()[CsLocalId_].Hs(T);
-    const scalar HCO2 = thermo.carrier().H(CO2GlobalId_, T);
 
-    // carrier enthalpy transfer handled by change in composition
+    // carrier sensible enthalpy exchange handled via change in mass
-    // const scalar HsO2 = thermo.carrier().Hs(O2GlobalId_, T);
-    // dhsTrans -= dmO2*HsO2;
 
     // Heat of reaction [J]
-    return dmC*HsC - dmCO2*HCO2;
+    return dmC*HsC - dmCO2*HcCO2_;
 }
 
 

src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationDiffusionLimitedRate/COxidationDiffusionLimitedRate.H

@@ -86,6 +86,9 @@ class COxidationDiffusionLimitedRate
             //- Molecular weight of O2 [kg/kmol]
             scalar WO2_;
 
+            //- Formation enthalpy for CO2 [J/kg]
+            scalar HcCO2_;
+
 
 public:
 

src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationKineticDiffusionLimitedRate/COxidationKineticDiffusionLimitedRate.C

@@ -45,7 +45,8 @@ COxidationKineticDiffusionLimitedRate
     O2GlobalId_(owner.composition().globalCarrierId("O2")),
     CO2GlobalId_(owner.composition().globalCarrierId("CO2")),
     WC_(0.0),
-    WO2_(0.0)
+    WO2_(0.0),
+    HcCO2_(0.0)
 {
     // Determine Cs ids
     label idSolid = owner.composition().idSolid();
@@ -56,6 +57,8 @@ COxidationKineticDiffusionLimitedRate
     const scalar WCO2 = owner.thermo().carrier().W(CO2GlobalId_);
     WC_ = WCO2 - WO2_;
 
+    HcCO2_ = owner.thermo().carrier().Hc(CO2GlobalId_);
+
     const scalar YCloc = owner.composition().Y0(idSolid)[CsLocalId_];
     const scalar YSolidTot = owner.composition().YMixture0()[idSolid];
     Info<< "    C(s): particle mass fraction = " << YCloc*YSolidTot << endl;
@@ -161,14 +164,11 @@ Foam::scalar Foam::COxidationKineticDiffusionLimitedRate<CloudType>::calculate
     dMassSRCarrier[CO2GlobalId_] += dmCO2;
 
     const scalar HsC = thermo.solids().properties()[CsLocalId_].Hs(T);
-    const scalar HCO2 = thermo.carrier().H(CO2GlobalId_, T);
 
-    // carrier enthalpy transfer handled by change in composition
+    // carrier sensible enthalpy exchange handled via change in mass
-    // const scalar HsO2 = thermo.carrier().Hs(O2GlobalId_, T);
-    // dhsTrans -= dmO2*HsO2;
 
     // Heat of reaction [J]
-    return dmC*HsC - dmCO2*HCO2;
+    return dmC*HsC - dmCO2*HcCO2_;
 }
 
 

src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationKineticDiffusionLimitedRate/COxidationKineticDiffusionLimitedRate.H

@@ -94,6 +94,9 @@ class COxidationKineticDiffusionLimitedRate
             //- Molecular weight of O2 [kg/kmol]
             scalar WO2_;
 
+            //- Formation enthalpy for CO2 [J/kg]
+            scalar HcCO2_;
+
 
 public:
 

src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationMurphyShaddix/COxidationMurphyShaddix.C

@@ -57,7 +57,8 @@ Foam::COxidationMurphyShaddix<CloudType>::COxidationMurphyShaddix
     O2GlobalId_(owner.composition().globalCarrierId("O2")),
     CO2GlobalId_(owner.composition().globalCarrierId("CO2")),
     WC_(0.0),
-    WO2_(0.0)
+    WO2_(0.0),
+    HcCO2_(0.0)
 {
     // Determine Cs ids
     label idSolid = owner.composition().idSolid();
@@ -68,6 +69,8 @@ Foam::COxidationMurphyShaddix<CloudType>::COxidationMurphyShaddix
     const scalar WCO2 = owner.thermo().carrier().W(CO2GlobalId_);
     WC_ = WCO2 - WO2_;
 
+    HcCO2_ = owner.thermo().carrier().Hc(CO2GlobalId_);
+
     const scalar YCloc = owner.composition().Y0(idSolid)[CsLocalId_];
     const scalar YSolidTot = owner.composition().YMixture0()[idSolid];
     Info<< "    C(s): particle mass fraction = " << YCloc*YSolidTot << endl;
@@ -221,14 +224,11 @@ Foam::scalar Foam::COxidationMurphyShaddix<CloudType>::calculate
     dMassSolid[CsLocalId_] += dOmega*WC_;
 
     const scalar HsC = thermo.solids().properties()[CsLocalId_].Hs(T);
-    const scalar HCO2 = thermo.carrier().H(CO2GlobalId_, T);
 
-    // carrier enthalpy transfer handled by change in composition
+    // carrier sensible enthalpy exchange handled via change in mass
-    // const scalar HsO2 = thermo.carrier().Hs(O2GlobalId_, T);
-    // dhsTrans -= dmO2*HsO2;
 
-    // Heat of reaction
+    // Heat of reaction [J]
-    return dOmega*(WC_*HsC - (WC_ + WO2_)*HCO2);
+    return dOmega*(WC_*HsC - (WC_ + WO2_)*HcCO2_);
 }
 
 

src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationMurphyShaddix/COxidationMurphyShaddix.H

@@ -115,6 +115,9 @@ class COxidationMurphyShaddix
             //- Molecular weight of O2 [kg/kmol]
             scalar WO2_;
 
+            //- Formation enthalpy for CO2 [J/kg]
+            scalar HcCO2_;
+
 
 public: