Update dfChemistryModel.C

deepmodeling · May 31, 2023 · 9fadf6b · 9fadf6b
1 parent 10f001c
commit 9fadf6b
Showing 1 changed file with 33 additions and 31 deletions.
diff --git a/src/dfChemistryModel/dfChemistryModel.C b/src/dfChemistryModel/dfChemistryModel.C
@@ -59,8 +59,7 @@ Foam::dfChemistryModel<ThermoType>::dfChemistryModel
     Y_(mixture_.Y()),
     rhoD_(mixture_.nSpecies()),
     hai_(mixture_.nSpecies()),
-    hc_(mixture_.nSpecies()),
-    c_(mixture_.nSpecies()),  
+    hc_(mixture_.nSpecies()), 
     yTemp_(mixture_.nSpecies()),
     dTemp_(mixture_.nSpecies()),
     hrtTemp_(mixture_.nSpecies()),
@@ -729,20 +728,23 @@ Foam::dfChemistryModel<ThermoType>::calculateRR
     const label speciei
 ) const
 {
-   tmp<volScalarField::Internal> tRR
-   (
-       volScalarField::Internal::New
-       (
+    tmp<volScalarField::Internal> tRR
+    (
+        volScalarField::Internal::New
+        (
            "RR",
            mesh_,
            dimensionedScalar(dimMass/dimVolume/dimTime, 0)
-       )
-   );
+        )
+    );
 
-  volScalarField::Internal& RR = tRR.ref();
+    volScalarField::Internal& RR = tRR.ref();
+
+   // mole fraction
+    mutable scalarList c[mixture_.nSpecies()]; 
 
-	doublereal netRate[mixture_.nReactions()];
-	doublereal X[mixture_.nSpecies()];
+    doublereal netRate[mixture_.nReactions()];
+    doublereal X[mixture_.nSpecies()];
 
     forAll(rho_, celli)
     {
@@ -754,35 +756,35 @@ Foam::dfChemistryModel<ThermoType>::calculateRR
         {
             const scalar Yi = Y_[i][celli];
 
-            c_[i] = rhoi*Yi/CanteraGas_->molecularWeight(i);
+            c[i] = rhoi*Yi/CanteraGas_->molecularWeight(i);
         }
 
-	    for(label i=0; i<mixture_.nSpecies(); i++)
-	    {
-		    X[i] = c_[i];
-	    }
+	for(label i=0; i<mixture_.nSpecies(); i++)
+	{
+	    X[i] = c[i];
+	}
 
-	    CanteraGas_->setState_TPX(Ti, pi, X);
+	CanteraGas_->setState_TPX(Ti, pi, X);
 
-	    CanteraKinetics_->getNetRatesOfProgress(netRate);
+	CanteraKinetics_->getNetRatesOfProgress(netRate);
 
-		auto R = CanteraKinetics_->reaction(reactionI);
+	auto R = CanteraKinetics_->reaction(reactionI);
 
-	    for (const auto& sp : R->reactants)
+	for (const auto& sp : R->reactants)
+        {
+		if (speciei == static_cast<int>(CanteraGas_->speciesIndex(sp.first)))
 		{
-			if (speciei == static_cast<int>(CanteraGas_->speciesIndex(sp.first)))
-			{
-				RR[celli] -= sp.second*netRate[reactionI];
-			}
+			RR[celli] -= sp.second*netRate[reactionI];
+		}
 
-		}			
-		for (const auto& sp : R->products)
+	}			
+	for (const auto& sp : R->products)
+	{
+		if (speciei == static_cast<int>(CanteraGas_->speciesIndex(sp.first)))
 		{
-			if (speciei == static_cast<int>(CanteraGas_->speciesIndex(sp.first)))
-			{
-				RR[celli] += sp.second*netRate[reactionI];
-			}
-		}					
+			RR[celli] += sp.second*netRate[reactionI];
+		}
+	}					
 
         RR[celli] *= CanteraGas_->molecularWeight(speciei);
     }