From 18b24fbe4d22de0a7f22670ca7b2e11081a8ce67 Mon Sep 17 00:00:00 2001
From: Yeongdo Park <ignis@postech.ac.kr>
Date: Sun, 4 Nov 2018 16:37:57 -0500
Subject: [PATCH] GasState rhoQc2 fix error (multiply e) and pass GasState
 state to calculateMuD in diffusivityModel

---
 diffusivityModel/GasState/GasStateI.H                |  5 +++--
 diffusivityModel/diffusivityModel/diffusivityModel.C | 12 +++++++-----
 2 files changed, 10 insertions(+), 7 deletions(-)

diff --git a/diffusivityModel/GasState/GasStateI.H b/diffusivityModel/GasState/GasStateI.H
index 4cce4b3..154d9a7 100644
--- a/diffusivityModel/GasState/GasStateI.H
+++ b/diffusivityModel/GasState/GasStateI.H
@@ -109,8 +109,9 @@ inline Foam::scalar Foam::GasState::rhoQc2() const
     {
         sumZN += X_[i] * thermos(i).z();
     }
-    sumZN *= (rho()/W()) * Foam::constant::physicoChemical::NA.value() * 1000;
-    return sumZN;
+    return sumZN * (rho()/W())
+        * Foam::constant::electromagnetic::e.value()
+        * Foam::constant::physicoChemical::NA.value() * 1000.0;
 }
 
 
diff --git a/diffusivityModel/diffusivityModel/diffusivityModel.C b/diffusivityModel/diffusivityModel/diffusivityModel.C
index b69a605..3971cb6 100644
--- a/diffusivityModel/diffusivityModel/diffusivityModel.C
+++ b/diffusivityModel/diffusivityModel/diffusivityModel.C
@@ -710,14 +710,13 @@ void Foam::diffusivityModel::correct()
         forAll (species_, i)
         {
             localY[i] = Y[i][celli];
-            localX[i] = Y[i][celli] * WbarI / Wpure[i];
         }
 
         GasState state (pi, Ti, localY);
 
-        calculateMuD ( muI, Dij, pi, Ti, rhoQc2i, localY, localX);
+        localX = state.X();
 
-        // calculateMuD ( muI, Dij, state);
+        calculateMuD (muI, Dij, state);
 
         forAll (Dii, i)
         {
@@ -777,10 +776,13 @@ void Foam::diffusivityModel::correct()
             forAll (species_, i)
             {
                 localY[i] = Y[i].boundaryField()[patchi][facei];
-                localX[i] = localY[i] * WbarI / Wpure[i];
             }
 
-            calculateMuD ( muI, Dij, pi, Ti, rhoQc2i, localY, localX);
+            GasState state (pi, Ti, localY);
+
+            localX = state.X();
+
+            calculateMuD (muI, Dij, state);
 
             forAll (Dii, i)
             {