ENH: rho/psiReactionThermos: add PengRobinsonGas to the thermos

src/thermophysicalModels/chemistryModel/chemistryModel/BasicChemistryModel/BasicChemistryModels.C

@@ -63,6 +63,13 @@ namespace Foam
         gasHThermoPhysics
     );
 
+    makeChemistryModelType
+    (
+        StandardChemistryModel,
+        psiReactionThermo,
+        PengRobinsonGasHThermoPhysics
+    );
+
     makeChemistryModelType
     (
         StandardChemistryModel,
@@ -120,6 +127,13 @@ namespace Foam
         gasHThermoPhysics
     );
 
+    makeChemistryModelType
+    (
+        StandardChemistryModel,
+        rhoReactionThermo,
+        PengRobinsonGasHThermoPhysics
+    );
+
     makeChemistryModelType
     (
         StandardChemistryModel,
@@ -177,6 +191,13 @@ namespace Foam
         gasHThermoPhysics
     );
 
+    makeChemistryModelType
+    (
+        TDACChemistryModel,
+        psiReactionThermo,
+        PengRobinsonGasHThermoPhysics
+    );
+
     makeChemistryModelType
     (
         TDACChemistryModel,
@@ -234,6 +255,13 @@ namespace Foam
         gasHThermoPhysics
     );
 
+    makeChemistryModelType
+    (
+        TDACChemistryModel,
+        rhoReactionThermo,
+        PengRobinsonGasHThermoPhysics
+    );
+
     makeChemistryModelType
     (
         TDACChemistryModel,
@@ -292,6 +320,13 @@ namespace Foam
         gasEThermoPhysics
     );
 
+    makeChemistryModelType
+    (
+        StandardChemistryModel,
+        psiReactionThermo,
+        PengRobinsonGasEThermoPhysics
+    );
+
     makeChemistryModelType
     (
         StandardChemistryModel,
@@ -350,6 +385,13 @@ namespace Foam
         gasEThermoPhysics
     );
 
+    makeChemistryModelType
+    (
+        StandardChemistryModel,
+        rhoReactionThermo,
+        PengRobinsonGasEThermoPhysics
+    );
+
     makeChemistryModelType
     (
         StandardChemistryModel,
@@ -407,6 +449,13 @@ namespace Foam
         gasEThermoPhysics
     );
 
+    makeChemistryModelType
+    (
+        TDACChemistryModel,
+        psiReactionThermo,
+        PengRobinsonGasEThermoPhysics
+    );
+
     makeChemistryModelType
     (
         TDACChemistryModel,
@@ -464,6 +513,13 @@ namespace Foam
         gasEThermoPhysics
     );
 
+    makeChemistryModelType
+    (
+        TDACChemistryModel,
+        rhoReactionThermo,
+        PengRobinsonGasEThermoPhysics
+    );
+
     makeChemistryModelType
     (
         TDACChemistryModel,

src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/makeChemistryReductionMethods.C

@@ -40,6 +40,11 @@ namespace Foam
     makeChemistryReductionMethods(psiReactionThermo, constGasHThermoPhysics);
     makeChemistryReductionMethods(psiReactionThermo, gasHThermoPhysics);
     makeChemistryReductionMethods
+    (
+        psiReactionThermo,
+        PengRobinsonGasHThermoPhysics
+    );
+    makeChemistryReductionMethods
     (
         psiReactionThermo,
         constIncompressibleGasHThermoPhysics
@@ -62,6 +67,11 @@ namespace Foam
     makeChemistryReductionMethods(rhoReactionThermo, constGasHThermoPhysics);
     makeChemistryReductionMethods(rhoReactionThermo, gasHThermoPhysics);
     makeChemistryReductionMethods
+    (
+        rhoReactionThermo,
+        PengRobinsonGasHThermoPhysics
+    );
+    makeChemistryReductionMethods
     (
         rhoReactionThermo,
         constIncompressibleGasHThermoPhysics
@@ -86,6 +96,11 @@ namespace Foam
     makeChemistryReductionMethods(psiReactionThermo, constGasEThermoPhysics);
     makeChemistryReductionMethods(psiReactionThermo, gasEThermoPhysics);
     makeChemistryReductionMethods
+    (
+        psiReactionThermo,
+        PengRobinsonGasEThermoPhysics
+    );
+    makeChemistryReductionMethods
     (
         psiReactionThermo,
         constIncompressibleGasEThermoPhysics
@@ -108,6 +123,11 @@ namespace Foam
     makeChemistryReductionMethods(rhoReactionThermo, constGasEThermoPhysics);
     makeChemistryReductionMethods(rhoReactionThermo, gasEThermoPhysics);
     makeChemistryReductionMethods
+    (
+        rhoReactionThermo,
+        PengRobinsonGasEThermoPhysics
+    );
+    makeChemistryReductionMethods
     (
         rhoReactionThermo,
         constIncompressibleGasEThermoPhysics

src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/makeChemistryTabulationMethods.C

@@ -39,6 +39,7 @@ namespace Foam
     // Chemistry solvers based on sensibleEnthalpy
     makeChemistryTabulationMethods(psiReactionThermo, constGasHThermoPhysics);
     makeChemistryTabulationMethods(psiReactionThermo, gasHThermoPhysics);
+    makeChemistryTabulationMethods(psiReactionThermo, PengRobinsonGasHThermoPhysics);
     makeChemistryTabulationMethods
     (
         psiReactionThermo,
@@ -62,6 +63,7 @@ namespace Foam
     makeChemistryTabulationMethods(rhoReactionThermo, constGasHThermoPhysics);
 
     makeChemistryTabulationMethods(rhoReactionThermo, gasHThermoPhysics);
+    makeChemistryTabulationMethods(rhoReactionThermo, PengRobinsonGasHThermoPhysics);
     makeChemistryTabulationMethods
     (
         rhoReactionThermo,
@@ -87,6 +89,7 @@ namespace Foam
     makeChemistryTabulationMethods(psiReactionThermo, constGasEThermoPhysics);
 
     makeChemistryTabulationMethods(psiReactionThermo, gasEThermoPhysics);
+    makeChemistryTabulationMethods(psiReactionThermo, PengRobinsonGasEThermoPhysics);
     makeChemistryTabulationMethods
     (
         psiReactionThermo,
@@ -110,6 +113,7 @@ namespace Foam
     makeChemistryTabulationMethods(rhoReactionThermo, constGasEThermoPhysics);
 
     makeChemistryTabulationMethods(rhoReactionThermo, gasEThermoPhysics);
+    makeChemistryTabulationMethods(rhoReactionThermo, PengRobinsonGasEThermoPhysics);
     makeChemistryTabulationMethods
     (
         rhoReactionThermo,

src/thermophysicalModels/chemistryModel/chemistrySolver/chemistrySolver/makeChemistrySolvers.C

@@ -38,6 +38,7 @@ namespace Foam
     // Chemistry solvers based on sensibleEnthalpy
     makeChemistrySolverTypes(psiReactionThermo, constGasHThermoPhysics);
     makeChemistrySolverTypes(psiReactionThermo, gasHThermoPhysics);
+    makeChemistrySolverTypes(psiReactionThermo, PengRobinsonGasHThermoPhysics);
     makeChemistrySolverTypes
     (
         psiReactionThermo,
@@ -61,6 +62,7 @@ namespace Foam
 
     makeChemistrySolverTypes(rhoReactionThermo, constGasHThermoPhysics);
     makeChemistrySolverTypes(rhoReactionThermo, gasHThermoPhysics);
+    makeChemistrySolverTypes(rhoReactionThermo, PengRobinsonGasHThermoPhysics);
     makeChemistrySolverTypes
     (
         rhoReactionThermo,
@@ -84,6 +86,7 @@ namespace Foam
     // Chemistry solvers based on sensibleInternalEnergy
     makeChemistrySolverTypes(psiReactionThermo, constGasEThermoPhysics);
     makeChemistrySolverTypes(psiReactionThermo, gasEThermoPhysics);
+    makeChemistrySolverTypes(psiReactionThermo, PengRobinsonGasEThermoPhysics);
     makeChemistrySolverTypes
     (
         psiReactionThermo,
@@ -105,6 +108,7 @@ namespace Foam
 
     makeChemistrySolverTypes(rhoReactionThermo, constGasEThermoPhysics);
     makeChemistrySolverTypes(rhoReactionThermo, gasEThermoPhysics);
+    makeChemistrySolverTypes(rhoReactionThermo, PengRobinsonGasEThermoPhysics);
     makeChemistrySolverTypes
     (
         rhoReactionThermo,

src/thermophysicalModels/reactionThermo/chemistryReaders/chemistryReader/makeChemistryReaders.C

@@ -6,6 +6,7 @@
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
     Copyright (C) 2011-2015 OpenFOAM Foundation
+    Copyright (C) 2023 OpenCFD Ltd.
 -------------------------------------------------------------------------------
 License
     This file is part of OpenFOAM.
@@ -43,6 +44,7 @@ namespace Foam
 
 makeChemistryReader(constGasHThermoPhysics);
 makeChemistryReader(gasHThermoPhysics);
+makeChemistryReader(PengRobinsonGasHThermoPhysics);
 makeChemistryReader(constIncompressibleGasHThermoPhysics);
 makeChemistryReader(incompressibleGasHThermoPhysics);
 makeChemistryReader(icoPoly8HThermoPhysics);
@@ -53,6 +55,7 @@ makeChemistryReader(constHThermoPhysics);
 
 makeChemistryReaderType(foamChemistryReader, constGasHThermoPhysics);
 makeChemistryReaderType(foamChemistryReader, gasHThermoPhysics);
+makeChemistryReaderType(foamChemistryReader, PengRobinsonGasHThermoPhysics);
 makeChemistryReaderType
 (
     foamChemistryReader,
@@ -70,6 +73,7 @@ makeChemistryReaderType(foamChemistryReader, constHThermoPhysics);
 
 makeChemistryReader(constGasEThermoPhysics);
 makeChemistryReader(gasEThermoPhysics);
+makeChemistryReader(PengRobinsonGasEThermoPhysics);
 makeChemistryReader(constIncompressibleGasEThermoPhysics);
 makeChemistryReader(incompressibleGasEThermoPhysics);
 makeChemistryReader(icoPoly8EThermoPhysics);
@@ -80,6 +84,7 @@ makeChemistryReader(constEThermoPhysics);
 
 makeChemistryReaderType(foamChemistryReader, constGasEThermoPhysics);
 makeChemistryReaderType(foamChemistryReader, gasEThermoPhysics);
+makeChemistryReaderType(foamChemistryReader, PengRobinsonGasEThermoPhysics);
 makeChemistryReaderType
 (
     foamChemistryReader,

src/thermophysicalModels/reactionThermo/psiReactionThermo/psiReactionThermos.C

@@ -6,6 +6,7 @@
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
     Copyright (C) 2011-2017 OpenFOAM Foundation
+    Copyright (C) 2023 OpenCFD Ltd.
 -------------------------------------------------------------------------------
 License
     This file is part of OpenFOAM.
@@ -32,6 +33,7 @@ License
 
 #include "specie.H"
 #include "perfectGas.H"
+#include "PengRobinsonGas.H"
 #include "hConstThermo.H"
 #include "janafThermo.H"
 #include "sensibleEnthalpy.H"
@@ -181,6 +183,131 @@ makeReactionThermos
     specie
 );
 
+
+// Peng Robinson
+makeReactionThermos
+(
+    psiThermo,
+    psiReactionThermo,
+    hePsiThermo,
+    homogeneousMixture,
+    constTransport,
+    sensibleEnthalpy,
+    hConstThermo,
+    PengRobinsonGas,
+    specie
+);
+
+makeReactionThermos
+(
+    psiThermo,
+    psiReactionThermo,
+    hePsiThermo,
+    inhomogeneousMixture,
+    constTransport,
+    sensibleEnthalpy,
+    hConstThermo,
+    PengRobinsonGas,
+    specie
+);
+
+makeReactionThermos
+(
+    psiThermo,
+    psiReactionThermo,
+    hePsiThermo,
+    veryInhomogeneousMixture,
+    constTransport,
+    sensibleEnthalpy,
+    hConstThermo,
+    PengRobinsonGas,
+    specie
+);
+
+
+// sutherlandTransport, hConstThermo
+
+makeReactionThermos
+(
+    psiThermo,
+    psiReactionThermo,
+    hePsiThermo,
+    homogeneousMixture,
+    sutherlandTransport,
+    sensibleEnthalpy,
+    hConstThermo,
+    PengRobinsonGas,
+    specie
+);
+
+makeReactionThermos
+(
+    psiThermo,
+    psiReactionThermo,
+    hePsiThermo,
+    inhomogeneousMixture,
+    sutherlandTransport,
+    sensibleEnthalpy,
+    hConstThermo,
+    PengRobinsonGas,
+    specie
+);
+
+makeReactionThermos
+(
+    psiThermo,
+    psiReactionThermo,
+    hePsiThermo,
+    veryInhomogeneousMixture,
+    sutherlandTransport,
+    sensibleEnthalpy,
+    hConstThermo,
+    PengRobinsonGas,
+    specie
+);
+
+
+// sutherlandTransport, janafThermo
+
+makeReactionThermos
+(
+    psiThermo,
+    psiReactionThermo,
+    hePsiThermo,
+    homogeneousMixture,
+    sutherlandTransport,
+    sensibleEnthalpy,
+    janafThermo,
+    PengRobinsonGas,
+    specie
+);
+
+makeReactionThermos
+(
+    psiThermo,
+    psiReactionThermo,
+    hePsiThermo,
+    inhomogeneousMixture,
+    sutherlandTransport,
+    sensibleEnthalpy,
+    janafThermo,
+    PengRobinsonGas,
+    specie
+);
+
+makeReactionThermos
+(
+    psiThermo,
+    psiReactionThermo,
+    hePsiThermo,
+    veryInhomogeneousMixture,
+    sutherlandTransport,
+    sensibleEnthalpy,
+    janafThermo,
+    PengRobinsonGas,
+    specie
+);
+
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 // Multi-component thermo for sensible enthalpy
@@ -245,6 +372,15 @@ makeThermoPhysicsReactionThermos
     gasHThermoPhysics
 );
 
+makeThermoPhysicsReactionThermos
+(
+    psiThermo,
+    psiReactionThermo,
+    hePsiThermo,
+    reactingMixture,
+    PengRobinsonGasHThermoPhysics
+);
+
 
 // Single-step reaction thermo for sensible enthalpy
 
@@ -278,6 +414,15 @@ makeThermoPhysicsReactionThermos
     gasEThermoPhysics
 );
 
+makeThermoPhysicsReactionThermos
+(
+    psiThermo,
+    psiReactionThermo,
+    hePsiThermo,
+    reactingMixture,
+    PengRobinsonGasEThermoPhysics
+);
+
 
 // Single-step reaction thermo for internal energy
 

src/thermophysicalModels/reactionThermo/rhoReactionThermo/rhoReactionThermos.C

@@ -33,6 +33,7 @@ License
 
 #include "specie.H"
 #include "perfectGas.H"
+#include "PengRobinsonGas.H"
 #include "incompressiblePerfectGas.H"
 #include "hConstThermo.H"
 #include "janafThermo.H"
@@ -222,6 +223,130 @@ makeReactionThermos
     specie
 );
 
+// Peng Robinson
+makeReactionThermos
+(
+    rhoThermo,
+    rhoReactionThermo,
+    heRhoThermo,
+    homogeneousMixture,
+    constTransport,
+    sensibleEnthalpy,
+    hConstThermo,
+    PengRobinsonGas,
+    specie
+);
+
+makeReactionThermos
+(
+    rhoThermo,
+    rhoReactionThermo,
+    heRhoThermo,
+    inhomogeneousMixture,
+    constTransport,
+    sensibleEnthalpy,
+    hConstThermo,
+    PengRobinsonGas,
+    specie
+);
+
+makeReactionThermos
+(
+    rhoThermo,
+    rhoReactionThermo,
+    heRhoThermo,
+    veryInhomogeneousMixture,
+    constTransport,
+    sensibleEnthalpy,
+    hConstThermo,
+    PengRobinsonGas,
+    specie
+);
+
+
+// sutherlandTransport, hConstThermo
+
+makeReactionThermos
+(
+    rhoThermo,
+    rhoReactionThermo,
+    heRhoThermo,
+    homogeneousMixture,
+    sutherlandTransport,
+    sensibleEnthalpy,
+    hConstThermo,
+    PengRobinsonGas,
+    specie
+);
+
+makeReactionThermos
+(
+    rhoThermo,
+    rhoReactionThermo,
+    heRhoThermo,
+    inhomogeneousMixture,
+    sutherlandTransport,
+    sensibleEnthalpy,
+    hConstThermo,
+    PengRobinsonGas,
+    specie
+);
+
+makeReactionThermos
+(
+    rhoThermo,
+    rhoReactionThermo,
+    heRhoThermo,
+    veryInhomogeneousMixture,
+    sutherlandTransport,
+    sensibleEnthalpy,
+    hConstThermo,
+    PengRobinsonGas,
+    specie
+);
+
+
+// sutherlandTransport, janafThermo
+
+makeReactionThermos
+(
+    rhoThermo,
+    rhoReactionThermo,
+    heRhoThermo,
+    homogeneousMixture,
+    sutherlandTransport,
+    sensibleEnthalpy,
+    janafThermo,
+    PengRobinsonGas,
+    specie
+);
+
+makeReactionThermos
+(
+    rhoThermo,
+    rhoReactionThermo,
+    heRhoThermo,
+    inhomogeneousMixture,
+    sutherlandTransport,
+    sensibleEnthalpy,
+    janafThermo,
+    PengRobinsonGas,
+    specie
+);
+
+makeReactionThermos
+(
+    rhoThermo,
+    rhoReactionThermo,
+    heRhoThermo,
+    veryInhomogeneousMixture,
+    sutherlandTransport,
+    sensibleEnthalpy,
+    janafThermo,
+    PengRobinsonGas,
+    specie
+);
+
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 // Multi-component thermo for internal energy
@@ -382,6 +507,14 @@ makeThermoPhysicsReactionThermos
     constEThermoPhysics
 );
 
+makeThermoPhysicsReactionThermos
+(
+    rhoThermo,
+    rhoReactionThermo,
+    heRhoThermo,
+    reactingMixture,
+    PengRobinsonGasEThermoPhysics
+);
 
 // Single-step reaction thermo for internal energy
 
@@ -394,7 +527,6 @@ makeThermoPhysicsReactionThermos
     gasEThermoPhysics
 );
 
-
 // Single-component thermo for internal energy
 
 makeThermoPhysicsReactionThermo
@@ -581,6 +713,15 @@ makeThermoPhysicsReactionThermos
     constHThermoPhysics
 );
 
+makeThermoPhysicsReactionThermos
+(
+    rhoThermo,
+    rhoReactionThermo,
+    heRhoThermo,
+    reactingMixture,
+    PengRobinsonGasHThermoPhysics
+);
+
 // Reaction thermo for sensible enthalpy
 
 makeThermoPhysicsReactionThermos

src/thermophysicalModels/specie/include/reactionTypes.H

@@ -6,6 +6,7 @@
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
     Copyright (C) 2011-2013 OpenFOAM Foundation
+    Copyright (C) 2023 OpenCFD Ltd.
 -------------------------------------------------------------------------------
 License
     This file is part of OpenFOAM.
@@ -50,6 +51,8 @@ namespace Foam
 
     typedef Reaction<gasHThermoPhysics> gasHReaction;
 
+    typedef Reaction<PengRobinsonGasHThermoPhysics> PengRobinsonGasHReaction;
+
     typedef Reaction<constIncompressibleGasHThermoPhysics>
         constIncompressibleGasHReaction;
 
@@ -71,6 +74,8 @@ namespace Foam
 
     typedef Reaction<gasEThermoPhysics> gasEReaction;
 
+    typedef Reaction<PengRobinsonGasEThermoPhysics> PengRobinsonGasEReaction;
+
     typedef Reaction<constIncompressibleGasEThermoPhysics>
         constIncompressibleGasEReaction;
 

src/thermophysicalModels/specie/include/thermoPhysicsTypes.H

@@ -6,7 +6,7 @@
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
     Copyright (C) 2011-2017 OpenFOAM Foundation
-    Copyright (C) 2018 OpenCFD Ltd.
+    Copyright (C) 2018-2023 OpenCFD Ltd.
 -------------------------------------------------------------------------------
 License
     This file is part of OpenFOAM.
@@ -37,6 +37,7 @@ Description
 
 #include "specie.H"
 #include "perfectGas.H"
+#include "PengRobinsonGas.H"
 #include "incompressiblePerfectGas.H"
 #include "rPolynomial.H"
 #include "perfectFluid.H"
@@ -91,6 +92,19 @@ namespace Foam
         >
     > gasHThermoPhysics;
 
+    typedef
+    sutherlandTransport
+    <
+        species::thermo
+        <
+            janafThermo
+            <
+                PengRobinsonGas<specie>
+            >,
+            sensibleEnthalpy
+        >
+    > PengRobinsonGasHThermoPhysics;
+
     typedef
     constTransport
     <
@@ -244,6 +258,19 @@ namespace Foam
         >
     > gasEThermoPhysics;
 
+    typedef
+    sutherlandTransport
+    <
+        species::thermo
+        <
+            janafThermo
+            <
+                PengRobinsonGas<specie>
+            >,
+            sensibleInternalEnergy
+        >
+    > PengRobinsonGasEThermoPhysics;
+
     typedef
     constTransport
     <

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

@@ -87,6 +87,7 @@ namespace Foam
     // sensible enthalpy based reactions
     makeReactions(constGasHThermoPhysics, constGasHReaction)
     makeReactions(gasHThermoPhysics, gasHReaction)
+    makeReactions(PengRobinsonGasHThermoPhysics, PengRobinsonGasHReaction)
     makeReactions
     (
         constIncompressibleGasHThermoPhysics,
@@ -105,6 +106,7 @@ namespace Foam
 
     makeReactions(constGasEThermoPhysics, constGasEReaction)
     makeReactions(gasEThermoPhysics, gasEReaction)
+    makeReactions(PengRobinsonGasEThermoPhysics, PengRobinsonGasEReaction)
     makeReactions
     (
         constIncompressibleGasEThermoPhysics,