ENH: solidIsothermalReactionRate: new solid reaction rate model

STYLE: solidArrheniusReactionRate: modernise code

src/thermophysicalModels/solidSpecie/reaction/reactionRate/solidArrheniusReactionRate/solidArrheniusReactionRate.H

@@ -6,7 +6,7 @@
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
     Copyright (C) 2011-2017 OpenFOAM Foundation
-    Copyright (C) 2019 OpenCFD Ltd.
+    Copyright (C) 2019-2022 OpenCFD Ltd.
 -------------------------------------------------------------------------------
 License
     This file is part of OpenFOAM.
@@ -35,8 +35,8 @@ SourceFiles
 
 \*---------------------------------------------------------------------------*/
 
-#ifndef solidArrheniusReactionRate_H
+#ifndef Foam_solidArrheniusReactionRate_H
-#define solidArrheniusReactionRate_H
+#define Foam_solidArrheniusReactionRate_H
 
 #include "scalarField.H"
 #include "typeInfo.H"
@@ -46,23 +46,27 @@ SourceFiles
 namespace Foam
 {
 
-// Forward declaration of friend functions and operators
+// Forward Declarations
-
 class solidArrheniusReactionRate;
 
 Ostream& operator<<(Ostream&, const solidArrheniusReactionRate&);
 
 
 /*---------------------------------------------------------------------------*\
-                       Class solidArrheniusReactionRate Declaration
+                  Class solidArrheniusReactionRate Declaration
 \*---------------------------------------------------------------------------*/
 
 class solidArrheniusReactionRate
 {
-    // Private data
+    // Private Data
 
+        //- Pre-exponential factor
         scalar A_;
+
+        //- Activation temperature
         scalar Ta_;
+
+        //- Critical temperature
         scalar Tcrit_;
 
 
@@ -99,6 +103,8 @@ public:
             return "Arrhenius";
         }
 
+        //- Return reaction rate constant
+        //  frequency of collisions resulting in a reaction
         inline scalar operator()
         (
             const scalar p,
@@ -107,7 +113,7 @@ public:
         ) const;
 
 
-         //- Write to stream
+        //- Write to stream
         inline void write(Ostream& os) const;
 
 

src/thermophysicalModels/solidSpecie/reaction/reactionRate/solidArrheniusReactionRate/solidArrheniusReactionRateI.H

@@ -6,6 +6,7 @@
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
     Copyright (C) 2011-2017 OpenFOAM Foundation
+    Copyright (C) 2022 OpenCFD Ltd.
 -------------------------------------------------------------------------------
 License
     This file is part of OpenFOAM.
@@ -32,7 +33,6 @@ inline Foam::solidArrheniusReactionRate::solidArrheniusReactionRate
     const scalar A,
     const scalar Ta,
     const scalar Tcrit
-    //const scalar nReact
 )
 :
     A_(A),
@@ -62,18 +62,12 @@ inline Foam::scalar Foam::solidArrheniusReactionRate::operator()
     const scalarField&
 ) const
 {
-    scalar ak = A_;
-
     if (T < Tcrit_)
     {
-        ak *= 0.0;
+        return 0;
-    }
-    else
-    {
-        ak *= exp(-Ta_/T);
     }
 
-    return ak;
+    return A_*exp(-Ta_/T);
 }
 
 

src/thermophysicalModels/solidSpecie/reaction/reactionRate/solidIsothermalReactionRate/solidIsothermalReactionRate.H

@@ -0,0 +1,144 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | www.openfoam.com
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+    Copyright (C) 2021 OpenCFD Ltd.
+-------------------------------------------------------------------------------
+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::solidIsothermalReactionRate
+
+Description
+    Isothermal reaction rate for solids
+
+SourceFiles
+    solidIsothermalReactionRateI.H
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef Foam_solidIsothermalReactionRate_H
+#define Foam_solidIsothermalReactionRate_H
+
+#include "scalarField.H"
+#include "typeInfo.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+// Forward Declarations
+class solidIsothermalReactionRate;
+
+Ostream& operator<<(Ostream&, const solidIsothermalReactionRate&);
+
+
+/*---------------------------------------------------------------------------*\
+                Class solidIsothermalReactionRate Declaration
+\*---------------------------------------------------------------------------*/
+
+class solidIsothermalReactionRate
+{
+    // Private Data
+
+        //- Model constant
+        scalar C_;
+
+        //- Specific heat of solid material (assumed constant)
+        scalar Cp_;
+
+        //- Phase change temperature
+        scalar Tpc_;
+
+        //- Latent heat of phase change
+        scalar Elat_;
+
+
+public:
+
+    // Constructors
+
+        //- Construct from components
+        inline solidIsothermalReactionRate
+        (
+            const scalar C,
+            const scalar Cp,
+            const scalar Tpc,
+            const scalar Elat
+        );
+
+
+        //- Construct from dictionary
+        inline solidIsothermalReactionRate
+        (
+            const speciesTable& species,
+            const dictionary& dict
+        );
+
+
+    //- Destructor
+    virtual ~solidIsothermalReactionRate() = default;
+
+
+    // Member Functions
+
+        //- Return the type name
+        static word type()
+        {
+            return "Isothermal";
+        }
+
+        //- Return reaction rate constant
+        //  frequency of collisions resulting in a reaction
+        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 solidIsothermalReactionRate&
+        );
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#include "solidIsothermalReactionRateI.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //

src/thermophysicalModels/solidSpecie/reaction/reactionRate/solidIsothermalReactionRate/solidIsothermalReactionRateI.H

@@ -0,0 +1,96 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | www.openfoam.com
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+    Copyright (C) 2021 OpenCFD Ltd.
+-------------------------------------------------------------------------------
+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::solidIsothermalReactionRate::solidIsothermalReactionRate
+(
+    const scalar C,
+    const scalar Cp,
+    const scalar Tpc,
+    const scalar Elat
+)
+:
+    C_(C),
+    Cp_(Cp),
+    Tpc_(Tpc),
+    Elat_(Elat)
+{}
+
+
+inline Foam::solidIsothermalReactionRate::solidIsothermalReactionRate
+(
+    const speciesTable&,
+    const dictionary& dict
+)
+:
+    C_(dict.get<scalar>("C")),
+    Cp_(dict.get<scalar>("Cp")),
+    Tpc_(dict.get<scalar>("Tpc")),
+    Elat_(dict.getCheck<scalar>("Elat", scalarMinMax::ge(SMALL)))
+{}
+
+
+// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
+
+inline Foam::scalar Foam::solidIsothermalReactionRate::operator()
+(
+    const scalar,
+    const scalar T,
+    const scalarField&
+) const
+{
+    if (T < Tpc_)
+    {
+        return 0;
+    }
+
+    return -C_*Cp_*(T - Tpc_)/Elat_;
+}
+
+
+inline void Foam::solidIsothermalReactionRate::write(Ostream& os) const
+{
+    os.writeEntry("C", C_);
+    os.writeEntry("Cp", Cp_);
+    os.writeEntry("Tpc", Tpc_);
+    os.writeEntry("Elat", Elat_);
+}
+
+
+inline Foam::Ostream& Foam::operator<<
+(
+    Ostream& os,
+    const solidIsothermalReactionRate& iso
+)
+{
+    iso.write(os);
+    return os;
+}
+
+
+// ************************************************************************* //

src/thermophysicalModels/solidSpecie/reaction/reactions/makeSolidReactions.C

@@ -29,6 +29,7 @@ License
 #include "makeSolidReaction.H"
 
 #include "solidArrheniusReactionRate.H"
+#include "solidIsothermalReactionRate.H"
 
 #include "solidThermoPhysicsTypes.H"
 
@@ -45,7 +46,8 @@ License
     defineTemplateTypeNameAndDebug(solidReaction##Thermo, 0);                  \
     defineTemplateTypeNameAndDebug(Reaction##Thermo, 0);                       \
                                                                                \
-    makeSolidIRReactions(Thermo, solidArrheniusReactionRate)
+    makeSolidIRReactions(Thermo, solidArrheniusReactionRate)                   \
+    makeSolidIRReactions(Thermo, solidIsothermalReactionRate)
 
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //