From 7baaa4f38990ca792c023f0a3699944461496ec4 Mon Sep 17 00:00:00 2001
From: ignis <ignis@postech.ac.kr>
Date: Sun, 29 Apr 2018 03:25:11 +0900
Subject: [PATCH] Stockmayer mu calculation and diffusivityModel X calculation

---
 diffusivityModel/Stockmayer/Stockmayer.C             |  6 ------
 diffusivityModel/Stockmayer/Stockmayer.H             |  6 ------
 diffusivityModel/Stockmayer/StockmayerI.H            | 12 ++++++++++++
 diffusivityModel/diffusivityModel/diffusivityModel.C | 11 +++++++++++
 4 files changed, 23 insertions(+), 12 deletions(-)

diff --git a/diffusivityModel/Stockmayer/Stockmayer.C b/diffusivityModel/Stockmayer/Stockmayer.C
index 7086a16..53e1f1f 100644
--- a/diffusivityModel/Stockmayer/Stockmayer.C
+++ b/diffusivityModel/Stockmayer/Stockmayer.C
@@ -47,12 +47,6 @@ const Foam::scalarField Foam::Stockmayer::b(
         );
 */
 
-const Foam::scalar Foam::Stockmayer::a[6] = 
-{ 1.0548, 0.15504, 0.55909, 2.1705, 0.093193, 1.5 };
-
-const Foam::scalar Foam::Stockmayer::b[6] = 
-{ 1.0413, 0.11930, 0.43628, 1.6041, 0.095661, 2.0 };
-
 // * * * * * * * * * * * * * Static Member Functions * * * * * * * * * * * * //
 
 
diff --git a/diffusivityModel/Stockmayer/Stockmayer.H b/diffusivityModel/Stockmayer/Stockmayer.H
index 4dacb50..c01a28b 100644
--- a/diffusivityModel/Stockmayer/Stockmayer.H
+++ b/diffusivityModel/Stockmayer/Stockmayer.H
@@ -101,12 +101,6 @@ public:
 
     // Static data members
 
-        //- Coefficients for Omega(1,1) fitting
-        static const scalar a[6];
-
-        //- Coefficients for Omega(2,2) fitting
-        static const scalar b[6];
-
 
     // Constructors
 
diff --git a/diffusivityModel/Stockmayer/StockmayerI.H b/diffusivityModel/Stockmayer/StockmayerI.H
index b609061..7e0cb2f 100644
--- a/diffusivityModel/Stockmayer/StockmayerI.H
+++ b/diffusivityModel/Stockmayer/StockmayerI.H
@@ -45,26 +45,31 @@ inline Foam::scalar Foam::Stockmayer::expon(const scalar a)
 
 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
+
 inline Foam::scalar Foam::Stockmayer::Omega11(const scalar Tstar)
 {
+    const scalar a[6] = { 1.0548, 0.15504, 0.55909, 2.1705, 0.093193, 1.5 };
     return a[0] * power(Tstar, -a[1]) + power(Tstar + a[2], -a[3]);
 }
 
 
 inline Foam::scalar Foam::Stockmayer::Omega22(const scalar Tstar)
 {
+    const scalar b[6] = { 1.0413, 0.11930, 0.43628, 1.6041, 0.095661, 2.0 };
     return b[0] * power(Tstar, -b[1]) + power(Tstar + b[2], -b[3]);
 }
 
 
 inline Foam::scalar Foam::Stockmayer::f11(const scalar Tstar)
 {
+    const scalar a[6] = { 1.0548, 0.15504, 0.55909, 2.1705, 0.093193, 1.5 };
     return 1.0 + sqr(deltaij_)*(expon(a[4]/Tstar)-expon(-a[5]/Tstar))/(2 + 2.5*deltaij_);
 }
 
 
 inline Foam::scalar Foam::Stockmayer::f22(const scalar Tstar)
 {
+    const scalar b[6] = { 1.0413, 0.11930, 0.43628, 1.6041, 0.095661, 2.0 };
     return 1.0 + sqr(deltaij_)*(expon(b[4]/Tstar)-expon(-b[5]/Tstar))/(2 + 2.5*deltaij_);
 }
 
@@ -76,6 +81,13 @@ inline Foam::scalar Foam::Stockmayer::D(const scalar p, const scalar T)
 }
 
 
+inline Foam::scalar Foam::Stockmayer::mu(const scalar p, const scalar T)
+{
+    return (5.0/16.0) * sqrt(2.0*Wij_*a_.k*T/(a_.pi*a_.NA))
+        / (sqr(sigmaij_) * Omega22(T/eij_));
+}
+
+
 // * * * * * * * * * * * * * * * Member Operators  * * * * * * * * * * * * * //
 
 
diff --git a/diffusivityModel/diffusivityModel/diffusivityModel.C b/diffusivityModel/diffusivityModel/diffusivityModel.C
index bd407ae..15c48ee 100644
--- a/diffusivityModel/diffusivityModel/diffusivityModel.C
+++ b/diffusivityModel/diffusivityModel/diffusivityModel.C
@@ -261,11 +261,17 @@ void Foam::diffusivityModel::correct()
         const scalar pi = p[celli];
         const scalar Ti = T[celli];
         const scalar Cvi = Cv[celli];
+        const scalar WbarI = Wbar[celli];
 
+        scalarField localX(species_.size());
         scalarField localY(species_.size());
+
+        scalarField localD(species_.size());
+
         forAll (species_, i)
         {
             localY[i] = Y[i][celli];
+            localX[i] = Y[i][celli] * WbarI / Wpure[i];
         }
 
         label idx = 0;
@@ -282,7 +288,12 @@ void Foam::diffusivityModel::correct()
             }
 
             // DMat = 0;
+            //
+        }
 
+        forAll (species_, i)
+        {
+            // localD[i] = mixAvgD(Dij.row(i));
         }
 
         Info << localY << endl;