ElectronIReaction<> completed

a. Separate CSV table lookup to Bolsig reaction rate class
        b. BolsigFitReactionRate
        c. Instantiation changed
        d. Support for hasElectron predicate

src/thermophysicalModels/specie/reaction/Reactions/ElectronIReaction/ElectronIReaction.C

@@ -81,8 +81,8 @@ ElectronIReaction
 )
 :
     ReactionType<ReactionThermo>(species, thermoDatabase, dict),
-    k_(species, dict),
+    k_(species, dict)// ,
-    ke_(new CSV<scalar> ("k", dict))
+    // ke_(new CSV<scalar> ("k", dict))
 {}
 
 
@@ -124,7 +124,10 @@ Foam::scalar Foam::ElectronIReaction
     const scalarField& c
 ) const
 {
-    return ke_->value(this->En());
+    //  1 Vm^2 -> 1e21  Td
+    //  m^3/s -> NA m^3/kmol/s
+    // return ke_->value(this->En() / 1e-21) * ReactionThermo::NA;
+    return k_(this->En(), this->Te(), c);
 }
 
 

src/thermophysicalModels/specie/reaction/Reactions/ElectronIReaction/ElectronIReaction.H

@@ -63,8 +63,6 @@ class ElectronIReaction
 
         ReactionRate k_;
 
-        autoPtr<TableBase<scalar> > ke_;
-
 
     // Private Member Functions
 
@@ -179,6 +177,10 @@ public:
 
         //- Write
         virtual void write(Ostream&) const;
+
+
+        //- Check whether electron reaction
+        virtual bool hasElectron() const {return true;}
 };
 
 

src/thermophysicalModels/specie/reaction/Reactions/Reaction/Reaction.H

@@ -376,6 +376,10 @@ public:
         virtual void write(Ostream&) const;
 
 
+        //- Check whether electron reaction
+        virtual bool hasElectron() const {return false;}
+
+
     // Ostream Operator
 
         friend Ostream& operator<< <ReactionThermo>

src/thermophysicalModels/specie/reaction/reactionRate/BolsigFitReactionRate/BolsigFitReactionRate.H

@@ -0,0 +1,137 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 2011-2012 OpenFOAM Foundation
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software: you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by
+    the Free Software Foundation, either version 3 of the License, or
+    (at your option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
+
+Class
+    Foam::BolsigFitReactionRate
+
+Description
+    BolsigFit reaction rate given by:
+
+        k = A * T^beta * exp(-Ta/T)
+
+SourceFiles
+    BolsigFitReactionRateI.H
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef BolsigFitReactionRate_H
+#define BolsigFitReactionRate_H
+
+#include "scalarField.H"
+#include "typeInfo.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+/*---------------------------------------------------------------------------*\
+                    Class BolsigFitReactionRate Declaration
+\*---------------------------------------------------------------------------*/
+
+class BolsigFitReactionRate
+{
+    // Private data
+
+        scalar A_;
+        scalar B_;
+        scalar C_;
+        scalar D_;
+        scalar E_;
+        scalar threshold_;
+        // scalar beta_;
+        // scalar Ta_;
+
+
+public:
+
+    // Constructors
+
+        //- Construct from components
+        inline BolsigFitReactionRate
+        (
+            const scalar A,
+            const scalar B,
+            const scalar C,
+            const scalar D,
+            const scalar E,
+            const scalar threshold
+        );
+
+        //- Construct from Istream
+        inline BolsigFitReactionRate
+        (
+            const speciesTable& species,
+            Istream& is
+        );
+
+        //- Construct from dictionary
+        inline BolsigFitReactionRate
+        (
+            const speciesTable& species,
+            const dictionary& dict
+        );
+
+
+    // Member Functions
+
+        //- Return the type name
+        static word type()
+        {
+            return "BolsigFit";
+        }
+
+        inline scalar operator()
+        (
+            const scalar p,
+            const scalar T,
+            const scalarField& c
+        ) const;
+
+        //- Write to stream
+        inline void write(Ostream& os) const;
+
+
+    // Ostream Operator
+
+        inline friend Ostream& operator<<
+        (
+            Ostream&,
+            const BolsigFitReactionRate&
+        );
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#include "BolsigFitReactionRateI.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //

src/thermophysicalModels/specie/reaction/reactionRate/BolsigFitReactionRate/BolsigFitReactionRateI.H

@@ -0,0 +1,139 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 2011-2012 OpenFOAM Foundation
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software: you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by
+    the Free Software Foundation, either version 3 of the License, or
+    (at your option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
+
+\*---------------------------------------------------------------------------*/
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+inline Foam::BolsigFitReactionRate::BolsigFitReactionRate
+(
+    const scalar A,
+    const scalar B,
+    const scalar C,
+    const scalar D,
+    const scalar E,
+    const scalar threshold
+)
+:
+    A_(A),
+    B_(B),
+    C_(C),
+    D_(D),
+    E_(E),
+    threshold_(threshold)
+{}
+
+
+inline Foam::BolsigFitReactionRate::BolsigFitReactionRate
+(
+    const speciesTable&,
+    Istream& is
+)
+:
+    A_(readScalar(is.readBegin("BolsigFitReactionRate(Istream&)"))),
+    B_(readScalar(is)),
+    C_(readScalar(is)),
+    D_(readScalar(is)),
+    E_(readScalar(is)),
+    threshold_(readScalar(is))
+{
+    is.readEnd("BolsigFitReactionRate(Istream&)");
+}
+
+
+inline Foam::BolsigFitReactionRate::BolsigFitReactionRate
+(
+    const speciesTable&,
+    const dictionary& dict
+)
+:
+    A_(readScalar(dict.lookup("A"))),
+    B_(readScalar(dict.lookup("B"))),
+    C_(readScalar(dict.lookup("C"))),
+    D_(readScalar(dict.lookup("D"))),
+    E_(readScalar(dict.lookup("E"))),
+    threshold_(readScalar(dict.lookup("EnThreshold")))
+{}
+
+
+// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
+
+inline Foam::scalar Foam::BolsigFitReactionRate::operator()
+(
+    const scalar p,
+    const scalar T,
+    const scalarField&
+) const
+{
+    const scalar oneTd = 1.0e-21; // 1e-21 Vm^2 = 1 Td
+    const scalar NA = 6.0221417930e+23; // mol^-1
+    const scalar mol2kmol = 1000.0; //mol/kmol^-1
+
+    // p is actually E/n in Vm^2 unit
+    scalar x = p / oneTd;
+
+    scalar ak = 0.0;
+
+    // threshold_ is E/n threshold in Td unit
+    if (x > threshold_)
+    {
+        scalar x2 = x * x;
+        scalar x3 = x2 * x;
+        scalar lnx = log(x);
+        ak = exp(A_ + B_*lnx + C_/x + D_/x2 + E_/x3) * NA * mol2kmol;
+    }
+
+    return ak > 0.0 ? ak : 0.0;
+}
+
+
+inline void Foam::BolsigFitReactionRate::write(Ostream& os) const
+{
+    os.writeKeyword("A") << A_ << token::END_STATEMENT << nl;
+    os.writeKeyword("B") << B_ << token::END_STATEMENT << nl;
+    os.writeKeyword("C") << C_ << token::END_STATEMENT << nl;
+    os.writeKeyword("D") << D_ << token::END_STATEMENT << nl;
+    os.writeKeyword("E") << E_ << token::END_STATEMENT << nl;
+    os.writeKeyword("EnThreshold") << threshold_ << token::END_STATEMENT << nl;
+}
+
+
+inline Foam::Ostream& Foam::operator<<
+(
+    Ostream& os,
+    const BolsigFitReactionRate& arr
+)
+{
+    os  << token::BEGIN_LIST
+        << arr.A_ << token::SPACE
+        << arr.B_ << token::SPACE
+        << arr.C_ << token::SPACE
+        << arr.D_ << token::SPACE
+        << arr.E_ << token::SPACE
+        << arr.threshold_
+        << token::END_LIST;
+    return os;
+}
+
+
+// ************************************************************************* //

src/thermophysicalModels/specie/reaction/reactionRate/BolsigTableReactionRate/BolsigTableReactionRate.H

@@ -0,0 +1,134 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 2011-2012 OpenFOAM Foundation
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software: you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by
+    the Free Software Foundation, either version 3 of the License, or
+    (at your option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
+
+Class
+    Foam::BolsigTableReactionRate
+
+Description
+    BolsigTable reaction rate given by:
+
+        k = A * T^beta * exp(-Ta/T)
+
+SourceFiles
+    BolsigTableReactionRateI.H
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef BolsigTableReactionRate_H
+#define BolsigTableReactionRate_H
+
+#include "scalarField.H"
+#include "typeInfo.H"
+
+#include "CSV.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+/*---------------------------------------------------------------------------*\
+                    Class BolsigTableReactionRate Declaration
+\*---------------------------------------------------------------------------*/
+
+class BolsigTableReactionRate
+{
+    // Private data
+
+        // scalar A_;
+        // scalar B_;
+        // scalar C_;
+        // scalar D_;
+        // scalar E_;
+        // scalar beta_;
+        // scalar Ta_;
+
+        autoPtr<TableBase<scalar> > ke_;
+
+
+public:
+
+    // Constructors
+
+        //- Construct from components
+        inline BolsigTableReactionRate
+        (
+        );
+
+        //- Construct from Istream
+        inline BolsigTableReactionRate
+        (
+            const speciesTable& species,
+            Istream& is
+        );
+
+        //- Construct from dictionary
+        inline BolsigTableReactionRate
+        (
+            const speciesTable& species,
+            const dictionary& dict
+        );
+
+
+    // Member Functions
+
+        //- Return the type name
+        static word type()
+        {
+            return "BolsigTable";
+        }
+
+        inline scalar operator()
+        (
+            const scalar p,
+            const scalar T,
+            const scalarField& c
+        ) const;
+
+        //- Write to stream
+        inline void write(Ostream& os) const;
+
+
+    // Ostream Operator
+
+        inline friend Ostream& operator<<
+        (
+            Ostream&,
+            const BolsigTableReactionRate&
+        );
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#include "BolsigTableReactionRateI.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //

src/thermophysicalModels/specie/reaction/reactionRate/BolsigTableReactionRate/BolsigTableReactionRateI.H

@@ -0,0 +1,95 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 2011-2012 OpenFOAM Foundation
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software: you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by
+    the Free Software Foundation, either version 3 of the License, or
+    (at your option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
+
+\*---------------------------------------------------------------------------*/
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+inline Foam::BolsigTableReactionRate::BolsigTableReactionRate
+(
+)
+:
+    ke_(NULL)
+{}
+
+
+inline Foam::BolsigTableReactionRate::BolsigTableReactionRate
+(
+    const speciesTable&,
+    Istream& is
+)
+:
+    ke_(NULL)
+{
+}
+
+
+inline Foam::BolsigTableReactionRate::BolsigTableReactionRate
+(
+    const speciesTable&,
+    const dictionary& dict
+)
+:
+    ke_(new CSV<scalar> ("k", dict))
+{}
+
+
+// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
+
+inline Foam::scalar Foam::BolsigTableReactionRate::operator()
+(
+    const scalar p,
+    const scalar T,
+    const scalarField&
+) const
+{
+    const scalar NA = 6.0221417930e+23; // mol^-1
+    const scalar mol2kmol = 1000.0; //mol/kmol^-1
+    const scalar oneTd = 1.0e-21; // 1e-21 Vm^2 = 1 Td
+
+    // p is actually E/n in Vm^2 unit
+    scalar coef =  ke_->value(p / oneTd) * NA * mol2kmol;
+    // Info << ke_->value(p * 1e21) << endl;
+    return coef;
+    // return ke_->value(p / 1e-21) * NA * mol2kmol;
+}
+
+
+inline void Foam::BolsigTableReactionRate::write(Ostream& os) const
+{
+}
+
+
+inline Foam::Ostream& Foam::operator<<
+(
+    Ostream& os,
+    const BolsigTableReactionRate& arr
+)
+{
+    os  << token::BEGIN_LIST
+        << token::END_LIST;
+    return os;
+}
+
+
+// ************************************************************************* //

src/thermophysicalModels/specie/reaction/reactions/makeReaction.H

@@ -120,8 +120,6 @@ namespace Foam
                                                                               \
     makeIRReactions(Thermo, ReactionRate)                                     \
                                                                               \
-    makeReaction(Thermo, ElectronIReaction, ReactionRate)                     \
-                                                                              \
     makeReaction(Thermo, NonEquilibriumReversibleReaction, ReactionRate)
 
 

src/thermophysicalModels/specie/reaction/reactions/makeReactions.C

@@ -40,15 +40,26 @@ License
 #include "SRIFallOffFunction.H"
 #include "TroeFallOffFunction.H"
 
+#include "BolsigTableReactionRate.H"
+#include "BolsigFitReactionRate.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
+#define makeElectronReactions(Thermo)                                          \
+                                                                               \
+    makeReaction(Thermo, ElectronIReaction, ArrheniusReactionRate)             \
+    makeReaction(Thermo, ElectronIReaction, BolsigFitReactionRate)             \
+    makeReaction(Thermo, ElectronIReaction, BolsigTableReactionRate)
+
+
 #define makeReactions(Thermo, Reaction)                                        \
                                                                                \
     defineTemplateTypeNameAndDebug(Reaction, 0);                               \
     defineTemplateRunTimeSelectionTable(Reaction, Istream);                    \
     defineTemplateRunTimeSelectionTable(Reaction, dictionary);                 \
                                                                                \
+    makeElectronReactions(Thermo)                                              \
+                                                                               \
     makeIRNReactions(Thermo, ArrheniusReactionRate)                            \
     makeIRNReactions(Thermo, infiniteReactionRate)                             \
     makeIRNReactions(Thermo, LandauTellerReactionRate)                         \