From 0924b618f5154dfa07bf37209dfbb2769404441b Mon Sep 17 00:00:00 2001
From: ekinaci <efekinaci@yahoo.com>
Date: Fri, 24 Feb 2017 13:12:36 +0100
Subject: [PATCH] minor mods

---
 .../solvers/cfdemSolverRhoPimpleChem/YEqn.H   |  3 +++
 .../chemistryModel/species/species.C          |  1 -
 .../CFD/constant/foam.dat                     | 26 +++++++++++++++++--
 .../DEM/in.liggghts_run                       |  2 +-
 4 files changed, 28 insertions(+), 4 deletions(-)

diff --git a/applications/solvers/cfdemSolverRhoPimpleChem/YEqn.H b/applications/solvers/cfdemSolverRhoPimpleChem/YEqn.H
index 9b643abd..296598a0 100644
--- a/applications/solvers/cfdemSolverRhoPimpleChem/YEqn.H
+++ b/applications/solvers/cfdemSolverRhoPimpleChem/YEqn.H
@@ -15,6 +15,7 @@ tmp<fv::convectionScheme<scalar> > mvConvection
     dQ = combustion->dQ();
     label inertIndex = -1;
     volScalarField Yt(0.0*Y[0]);
+    // volScalarField Wt(0.0*W);
 
     forAll(Y, i)
     {
@@ -43,6 +44,8 @@ tmp<fv::convectionScheme<scalar> > mvConvection
 
             Yi.max(0.0);
             Yt += Yi;
+
+            // Wt += thermo.composition().W(i);
         }
         else
         {
diff --git a/src/lagrangian/cfdemParticle/subModels/chemistryModel/species/species.C b/src/lagrangian/cfdemParticle/subModels/chemistryModel/species/species.C
index 36542be9..fa2daf9e 100644
--- a/src/lagrangian/cfdemParticle/subModels/chemistryModel/species/species.C
+++ b/src/lagrangian/cfdemParticle/subModels/chemistryModel/species/species.C
@@ -283,7 +283,6 @@ void species::execute()
         particleCloud_.dataExchangeM().giveData(partMoleName_,"scalar-atom",partN_);
         for (int i=0; i<speciesNames_.size();i++)
         {
-            //particleCloud_.dataExchangeM().giveData(Y_[i].name(),"scalar-atom",concentrations_[i]);
             particleCloud_.dataExchangeM().giveData(speciesNames_[i],"scalar-atom",concentrations_[i]);
         };
 
diff --git a/tutorials/cfdemSolverRhoPimpleChem/Shrinking_particle_model/CFD/constant/foam.dat b/tutorials/cfdemSolverRhoPimpleChem/Shrinking_particle_model/CFD/constant/foam.dat
index b5e7e0f4..527eb2be 100644
--- a/tutorials/cfdemSolverRhoPimpleChem/Shrinking_particle_model/CFD/constant/foam.dat
+++ b/tutorials/cfdemSolverRhoPimpleChem/Shrinking_particle_model/CFD/constant/foam.dat
@@ -60,8 +60,30 @@ O2
     }
 }
 
+N2
+{
+    specie
+    {
+        nMoles          1;
+        molWeight       28.0134;
+    }
+    thermodynamics
+    {
+        Tlow            0;
+        Thigh           5000;
+        Tcommon         1000;
+        highCpCoeffs    ( 2.92664 0.00148798 -5.68476e-07 1.0097e-10 -6.75335e-15 -922.798 5.98053 );
+        lowCpCoeffs     ( 3.29868 0.00140824 -3.96322e-06 5.64152e-09 -2.44485e-12 -1020.9 3.95037 );
+    }
+    transport
+    {
+        As              1.67212e-06;
+        Ts              170.672;
+    }
+}
+
 // added CO - Thermo data from combustion.berkeley.edu/gri-mech/data/species/thermo.dat
-/*CO
+CO
 {
     specie
     {
@@ -81,7 +103,7 @@ O2
         As              1.67212e-06;
         Ts              170.672;
     }
-}*/
+}
 
 
 
diff --git a/tutorials/cfdemSolverRhoPimpleChem/Shrinking_particle_model/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/Shrinking_particle_model/DEM/in.liggghts_run
index ee41249f..e86781fe 100644
--- a/tutorials/cfdemSolverRhoPimpleChem/Shrinking_particle_model/DEM/in.liggghts_run
+++ b/tutorials/cfdemSolverRhoPimpleChem/Shrinking_particle_model/DEM/in.liggghts_run
@@ -51,7 +51,7 @@ fix     cfd3 all couple/cfd/chemistry n_species 2 species_names O2 CO2
 
 # this should shrink the particle
 #fix    cfd4 all chem/shrink speciesA O2 molMassA 31.99 speciesC CO2 molMassC 44.01 molMassB 12.01 k 2.5e3 rdef 0.2
-fix     cfd4 all chem/shrink speciesA O2 molMassA 31.99 speciesC CO2 molMassC 44.01 molMassB 12.01 k 2.5e3 rmin 0.005
+#fix     cfd4 all chem/shrink speciesA O2 molMassA 31.99 speciesC CO2 molMassC 44.01 molMassB 12.01 k 2.5e3 rmin 0.005
 
 # apply nve integration to all particles that are inserted as single particles
 fix     integr all nve/sphere