From 740629b02f906362451af5e57275c26118219daa Mon Sep 17 00:00:00 2001
From: andy <a.heather@opencfd.co.uk>
Date: Fri, 5 Jun 2009 17:57:27 +0100
Subject: [PATCH] change to heat of reaction calculation

---
 .../COxidationMurphyShaddix.C                    | 16 +++++++++++-----
 .../COxidationMurphyShaddix.H                    |  3 ---
 2 files changed, 11 insertions(+), 8 deletions(-)

diff --git a/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationMurphyShaddix/COxidationMurphyShaddix.C b/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationMurphyShaddix/COxidationMurphyShaddix.C
index b4ff28cd9cf..3f5f20665ab 100644
--- a/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationMurphyShaddix/COxidationMurphyShaddix.C
+++ b/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationMurphyShaddix/COxidationMurphyShaddix.C
@@ -62,18 +62,16 @@ Foam::COxidationMurphyShaddix<CloudType>::COxidationMurphyShaddix
     O2GlobalId_(owner.composition().globalCarrierId("O2")),
     CO2GlobalId_(owner.composition().globalCarrierId("CO2")),
     WC_(0.0),
-    WO2_(0.0),
-    HcCO2_(0.0)
+    WO2_(0.0)
 {
     // Determine Cs ids
     label idSolid = owner.composition().idSolid();
-    CsLocalId_ = owner.composition().localId(idSolid, "Cs");
+    CsLocalId_ = owner.composition().localId(idSolid, "C");
 
     // 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();
 }
 
 
@@ -209,8 +207,16 @@ Foam::scalar Foam::COxidationMurphyShaddix<CloudType>::calculate
     // Add to particle mass transfer
     dMassSolid[CsLocalId_] += dOmega*WC_;
 
+    const scalar HC =
+        this->owner().composition().solids().properties()[CsLocalId_].Hf()
+      + this->owner().composition().solids().properties()[CsLocalId_].cp()*T;
+    const scalar HCO2 =
+        this->owner().composition().carrierSpecies()[CO2GlobalId_].H(T);
+    const scalar HO2 =
+        this->owner().composition().carrierSpecies()[O2GlobalId_].H(T);
+
     // Heat of reaction
-    return -HcCO2_*dOmega*WC_;
+    return dOmega*(WC_*HC + WO2_*HO2 - (WC_ + WO2_)*HCO2);
 }
 
 
diff --git a/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationMurphyShaddix/COxidationMurphyShaddix.H b/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationMurphyShaddix/COxidationMurphyShaddix.H
index e08516d2dfe..2333a9be70d 100644
--- a/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationMurphyShaddix/COxidationMurphyShaddix.H
+++ b/src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationMurphyShaddix/COxidationMurphyShaddix.H
@@ -111,9 +111,6 @@ class COxidationMurphyShaddix
             //- Molecular weight of O2 [kg/kmol]
             scalar WO2_;
 
-            //- Chemical enthalpy of CO2 [J/kg]
-            scalar HcCO2_;
-
 
 public:
 
-- 
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