multiphaseEuler: phaseTransferModels::reactionDriven: Permit transfers in both directions

The syntax of this model has changed to permit transfers of species in
either direction. A list of transferring species is now given for each
phase, rather than identifying a single reacting phase. For example:

    phaseTransfer
    (
        vapour_particles
        {
            type reactionDriven;

            // TiO2 and TiO2_s are created by reactions in the vapour
            // and are then transferred to the particles
            species.vapour (TiO2 TiO2_s);

            // H2O is created by reactions in the particles and is then
            // transferred to the vapour
            species.particles (H2O);
        }
    );

Author: Will Bainbridge

applications/modules/multiphaseEuler/interfacialModels/phaseTransferModels/phaseTransferModel/phaseTransferModel.C

@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     | Website:  https://openfoam.org
-    \\  /    A nd           | Copyright (C) 2018-2023 OpenFOAM Foundation
+    \\  /    A nd           | Copyright (C) 2018-2024 OpenFOAM Foundation
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
@@ -123,7 +123,7 @@ Foam::blendedPhaseTransferModel::dmdtf() const
             &phaseTransferModel::dmdtf,
             "dmdtf",
             phaseTransferModel::dimDmdt,
-            true
+            false
         );
 }
 
@@ -137,7 +137,7 @@ Foam::blendedPhaseTransferModel::d2mdtdpf() const
             &phaseTransferModel::d2mdtdpf,
             "d2mdtdpf",
             phaseTransferModel::dimD2mdtdp,
-            true
+            false
         );
 }
 
@@ -157,7 +157,7 @@ Foam::blendedPhaseTransferModel::dmidtf() const
             &phaseTransferModel::dmidtf,
             "dmidtf",
             phaseTransferModel::dimDmdt,
-            true
+            false
         );
 }
 

applications/modules/multiphaseEuler/interfacialModels/phaseTransferModels/reactionDriven/reactionDriven.C

@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     | Website:  https://openfoam.org
-    \\  /    A nd           | Copyright (C) 2019-2023 OpenFOAM Foundation
+    \\  /    A nd           | Copyright (C) 2019-2024 OpenFOAM Foundation
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
@@ -39,6 +39,20 @@ namespace phaseTransferModels
 }
 
 
+// * * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * //
+
+template<bool Index>
+Foam::word Foam::phaseTransferModels::reactionDriven::speciesKey() const
+{
+    return
+        IOobject::groupName
+        (
+            "species",
+            (!Index ? interface_.phase1() : interface_.phase2()).name()
+        );
+}
+
+
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
 Foam::phaseTransferModels::reactionDriven::reactionDriven
@@ -49,17 +63,22 @@ Foam::phaseTransferModels::reactionDriven::reactionDriven
 :
     phaseTransferModel(dict, interface),
     interface_(interface),
-    reactingName_(dict.lookup("reactingPhase")),
-    reactingPhase_
-    (
-        reactingName_ == interface_.phase1().name()
-      ? interface_.phase1()
-      : interface_.phase2()
-    ),
-    otherPhase_(interface.otherPhase(reactingPhase_)),
-    sign_(reactingName_ == interface_.phase1().name() ? -1 : 1),
-    species_(dict.lookup("species"))
-{}
+    species1_(dict.lookupOrDefault<wordList>(speciesKey<0>(), wordList())),
+    species2_(dict.lookupOrDefault<wordList>(speciesKey<1>(), wordList())),
+    species_()
+{
+    if (!dict.found(speciesKey<0>()) && !dict.found(speciesKey<1>()))
+    {
+        FatalIOErrorInFunction(dict)
+            << "No transferring species specified. Specify either "
+            << speciesKey<0>() << " or " << speciesKey<1>() << " or both."
+            << exit(FatalIOError);
+    }
+
+    wordList species(species1_);
+    species.append(species2_);
+    species_.transfer(species);
+}
 
 
 // * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
@@ -82,18 +101,21 @@ Foam::phaseTransferModels::reactionDriven::dmidtf() const
 {
     HashPtrTable<volScalarField> result;
 
-    forAll(species_, i)
-    {
-        const word name = species_[i];
+    const phaseModel& phase1 = interface_.phase1();
+    const phaseModel& phase2 = interface_.phase2();
 
-        volScalarField& Y =
-            const_cast<volScalarField&>(reactingPhase_.Y(name));
+    forAll(species1_, i)
+    {
+        volScalarField& Y1 =
+            const_cast<volScalarField&>(phase1.Y(species1_[i]));
+        result.set(species_[i], (- phase1*phase1.R(Y1) & Y1).ptr());
+    }
 
-        result.set
-        (
-            species_[i],
-            (sign_*reactingPhase_*reactingPhase_.R(Y) & Y).ptr()
-        );
+    forAll(species2_, i)
+    {
+        volScalarField& Y2 =
+            const_cast<volScalarField&>(phase2.Y(species2_[i]));
+        result.set(species_[i], (phase2*phase2.R(Y2) & Y2).ptr());
     }
 
     return result;

applications/modules/multiphaseEuler/interfacialModels/phaseTransferModels/reactionDriven/reactionDriven.H

@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     | Website:  https://openfoam.org
-    \\  /    A nd           | Copyright (C) 2019-2023 OpenFOAM Foundation
+    \\  /    A nd           | Copyright (C) 2019-2024 OpenFOAM Foundation
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
@@ -60,20 +60,21 @@ private:
         //- Interface
         const phaseInterface interface_;
 
-        //- The name of the phase where the reactions occur
-        const word reactingName_;
+        //- List of species transferring out of phase 1
+        const hashedWordList species1_;
 
-        //- Const reference to the reacting phase
-        const phaseModel& reactingPhase_;
+        //- List of species transferring out of phase 2
+        const hashedWordList species2_;
 
-        //- Const reference to the other phase
-        const phaseModel& otherPhase_;
+        //- List of all transferring species
+        hashedWordList species_;
 
-        //- Sign used to multiply the source terms
-        const scalar sign_;
 
-        //- List of species changing phase
-        const hashedWordList species_;
+    // Private Member Functions
+
+        //- Keyword for the list of species
+        template<bool Index>
+        word speciesKey() const;
 
 
 public:

tutorials/multiphaseEuler/titaniaSynthesis/constant/phaseProperties

@@ -180,9 +180,7 @@ phaseTransfer
     particles_dispersedIn_vapour
     {
         type reactionDriven;
-        reactingPhase vapour;
-        targetPhase particles;
-        species (TiO2);
+        species.vapour (TiO2);
     }
 }
 

tutorials/multiphaseEuler/titaniaSynthesisSurface/constant/phaseProperties

@@ -192,9 +192,7 @@ phaseTransfer
     particles_dispersedIn_vapour
     {
         type reactionDriven;
-        reactingPhase vapour;
-        targetPhase particles;
-        species (TiO2 TiO2_s);
+        species.vapour (TiO2 TiO2_s);
     }
 }