From 8670f39b9f2bd3d0a9a0212f23e5a90fdcdb4e6f Mon Sep 17 00:00:00 2001
From: ignis <ignis@postech.ac.kr>
Date: Wed, 25 Apr 2018 14:56:01 +0900
Subject: [PATCH] specie and specieMixtures feature for electrical property
 calculation

---
 .../mixtures/SpecieMixture/SpecieMixture.C    | 20 +++++++++++++
 .../mixtures/SpecieMixture/SpecieMixture.H    |  6 ++++
 .../basicSpecieMixture/basicSpecieMixture.C   | 30 +++++++++++++++++++
 .../basicSpecieMixture/basicSpecieMixture.H   | 11 ++++++-
 .../specie/specie/specie.H                    |  3 ++
 .../specie/specie/specieI.H                   |  6 ++++
 6 files changed, 75 insertions(+), 1 deletion(-)

diff --git a/src/thermophysicalModels/reactionThermo/mixtures/SpecieMixture/SpecieMixture.C b/src/thermophysicalModels/reactionThermo/mixtures/SpecieMixture/SpecieMixture.C
index 951fe48bf..6bf508bb4 100644
--- a/src/thermophysicalModels/reactionThermo/mixtures/SpecieMixture/SpecieMixture.C
+++ b/src/thermophysicalModels/reactionThermo/mixtures/SpecieMixture/SpecieMixture.C
@@ -68,6 +68,16 @@ Foam::scalar Foam::SpecieMixture<MixtureType>::W
 }
 
 
+template<class MixtureType>
+Foam::scalar Foam::SpecieMixture<MixtureType>::z
+(
+    const label speciei
+) const
+{
+    return this->getLocalThermo(speciei).z();
+}
+
+
 template<class MixtureType>
 Foam::scalar Foam::SpecieMixture<MixtureType>::Qc
 (
@@ -78,6 +88,16 @@ Foam::scalar Foam::SpecieMixture<MixtureType>::Qc
 }
 
 
+template<class MixtureType>
+Foam::scalar Foam::SpecieMixture<MixtureType>::Qc2
+(
+    const label speciei
+) const
+{
+    return this->getLocalThermo(speciei).Qc2();
+}
+
+
 template<class MixtureType>
 Foam::scalar Foam::SpecieMixture<MixtureType>::Cp
 (
diff --git a/src/thermophysicalModels/reactionThermo/mixtures/SpecieMixture/SpecieMixture.H b/src/thermophysicalModels/reactionThermo/mixtures/SpecieMixture/SpecieMixture.H
index b4d6c31c8..ae08bf377 100644
--- a/src/thermophysicalModels/reactionThermo/mixtures/SpecieMixture/SpecieMixture.H
+++ b/src/thermophysicalModels/reactionThermo/mixtures/SpecieMixture/SpecieMixture.H
@@ -81,9 +81,15 @@ public:
             //- Molecular weight of the given specie [kg/kmol]
             virtual scalar W(const label speciei) const;
 
+            //- Number of charges of the given specie []
+            virtual scalar z(const label speciei) const;
+
             //- Specific charge of the given specie []
             virtual scalar Qc(const label specieI) const;
 
+            //- Absolute specific charge of the given specie []
+            virtual scalar Qc2(const label specieI) const;
+
 
         // Per specie thermo properties
 
diff --git a/src/thermophysicalModels/reactionThermo/mixtures/basicSpecieMixture/basicSpecieMixture.C b/src/thermophysicalModels/reactionThermo/mixtures/basicSpecieMixture/basicSpecieMixture.C
index 82e111b97..0ff307384 100644
--- a/src/thermophysicalModels/reactionThermo/mixtures/basicSpecieMixture/basicSpecieMixture.C
+++ b/src/thermophysicalModels/reactionThermo/mixtures/basicSpecieMixture/basicSpecieMixture.C
@@ -111,4 +111,34 @@ Foam::tmp<Foam::volScalarField> Foam::basicSpecieMixture::Qc() const
 }
 
 
+Foam::tmp<Foam::volScalarField> Foam::basicSpecieMixture::Qc2() const
+{
+    const PtrList<volScalarField>& Y(basicMultiComponentMixture::Y());
+
+    tmp<volScalarField> tQc
+    (
+        new volScalarField
+        (
+            IOobject
+            (
+                IOobject::groupName("Qc2", Y[0].group()),
+                Y[0].time().timeName(),
+                Y[0].mesh()
+            ),
+            Y[0].mesh(),
+            dimensionedScalar("zero", dimless, 0)
+        )
+    );
+
+    volScalarField& Qc = tQc.ref();
+
+    forAll(Y, i)
+    {
+        Qc += Y[i]*this->Qc2(i);
+    }
+
+    return tQc;
+}
+
+
 // ************************************************************************* //
diff --git a/src/thermophysicalModels/reactionThermo/mixtures/basicSpecieMixture/basicSpecieMixture.H b/src/thermophysicalModels/reactionThermo/mixtures/basicSpecieMixture/basicSpecieMixture.H
index 459baecec..cd5880dbe 100644
--- a/src/thermophysicalModels/reactionThermo/mixtures/basicSpecieMixture/basicSpecieMixture.H
+++ b/src/thermophysicalModels/reactionThermo/mixtures/basicSpecieMixture/basicSpecieMixture.H
@@ -88,15 +88,24 @@ public:
             //- Molecular weight of the given specie [kg/kmol]
             virtual scalar W(const label speciei) const = 0;
 
+            //- Number of charges of the given specie []
+            virtual scalar z(const label speciei) const = 0;
+
             //- Specific charge of the given specie [C/kg]
             virtual scalar Qc(const label speciei) const = 0;
 
+            //- Absolute specific charge of the given specie [C/kg]
+            virtual scalar Qc2(const label speciei) const = 0;
+
             //- Molecular weight of the mixture [kg/kmol]
             tmp<volScalarField> W() const;
 
-            //- Charge number of the mixture [C/kg]
+            //- Specific charge of the mixture [C/kg]
             tmp<volScalarField> Qc() const;
 
+            //- Absolute specific charge of the mixture [C^2/kg]
+            tmp<volScalarField> Qc2() const;
+
 
         // Per specie thermo properties
 
diff --git a/src/thermophysicalModels/specie/specie/specie.H b/src/thermophysicalModels/specie/specie/specie.H
index a8b1803b6..2251644dc 100644
--- a/src/thermophysicalModels/specie/specie/specie.H
+++ b/src/thermophysicalModels/specie/specie/specie.H
@@ -188,6 +188,9 @@ public:
                 //- Electric charge [C/kg]
                 inline scalar Qc() const;
 
+                //- Electric charge squared [C^2/kg]
+                inline scalar Qc2() const;
+
 
         // I-O
 
diff --git a/src/thermophysicalModels/specie/specie/specieI.H b/src/thermophysicalModels/specie/specie/specieI.H
index becb6e87a..0b2689d53 100644
--- a/src/thermophysicalModels/specie/specie/specieI.H
+++ b/src/thermophysicalModels/specie/specie/specieI.H
@@ -150,6 +150,12 @@ inline scalar specie::Qc() const
 }
 
 
+inline scalar specie::Qc2() const
+{
+    return nCharges_ * nCharges_ * NA * e * e / molWeight_;
+}
+
+
 // * * * * * * * * * * * * * * * Member Operators  * * * * * * * * * * * * * //
 
 inline void specie::operator=(const specie& st)