semiPermeableBaffle: Added mole-fraction and partial-pressure input options

The semiPermeableBaffleMassFraction boundary condition can now calculate
the mass flux as proportional to the difference in mole fraction or
partial pressure. A mass fraction difference driven transfer is also
still possible. An additional keyword, "input" has been added which is
used to select the variable used to calculate the transfer. An example
specification is as follows:

    baffle
    {
        type            semiPermeableBaffleMassFraction;
        samplePatch     membranePipe;
        c               0.1;
        input           massFraction;
        value           uniform 0;
    }

In order to facilitate this, a "W" method to get the molar mass on a
patch has been added to the thermodynamics. To avoid name-clashes,
methods that generate per-species molar masses have been renamed "Wi".

This work was supported by Georg Skillas, at Evonik

applications/solvers/multiphase/compressibleInterFoam/twoPhaseMixtureThermo/twoPhaseMixtureThermo.C

@@ -313,6 +313,17 @@ Foam::tmp<Foam::volScalarField> Foam::twoPhaseMixtureThermo::W() const
 }
 
 
+Foam::tmp<Foam::scalarField> Foam::twoPhaseMixtureThermo::W
+(
+    const label patchi
+) const
+{
+    return
+        alpha1().boundaryField()[patchi]*thermo1_->W(patchi)
+      + alpha2().boundaryField()[patchi]*thermo1_->W(patchi);
+}
+
+
 Foam::tmp<Foam::volScalarField> Foam::twoPhaseMixtureThermo::nu() const
 {
     return mu()/(alpha1()*thermo1_->rho() + alpha2()*thermo2_->rho());

applications/solvers/multiphase/compressibleInterFoam/twoPhaseMixtureThermo/twoPhaseMixtureThermo.H

@@ -248,6 +248,9 @@ public:
             //- Molecular weight [kg/kmol]
             virtual tmp<volScalarField> W() const;
 
+            //- Molecular weight for patch [kg/kmol]
+            virtual tmp<scalarField> W(const label patchi) const;
+
 
         // Fields derived from transport state variables
 

applications/solvers/multiphase/compressibleMultiphaseInterFoam/multiphaseMixtureThermo/multiphaseMixtureThermo.C

@@ -551,6 +551,28 @@ Foam::tmp<Foam::volScalarField> Foam::multiphaseMixtureThermo::W() const
 }
 
 
+Foam::tmp<Foam::scalarField> Foam::multiphaseMixtureThermo::W
+(
+    const label patchi
+) const
+{
+    PtrDictionary<phaseModel>::const_iterator phasei = phases_.begin();
+
+    tmp<scalarField> tW
+    (
+        phasei().boundaryField()[patchi]*phasei().thermo().W(patchi)
+    );
+
+    for (++phasei; phasei != phases_.end(); ++phasei)
+    {
+        tW.ref() +=
+            phasei().boundaryField()[patchi]*phasei().thermo().W(patchi);
+    }
+
+    return tW;
+}
+
+
 Foam::tmp<Foam::volScalarField> Foam::multiphaseMixtureThermo::nu() const
 {
     return mu()/rho();

applications/solvers/multiphase/compressibleMultiphaseInterFoam/multiphaseMixtureThermo/multiphaseMixtureThermo.H

@@ -379,6 +379,9 @@ public:
             //- Molecular weight [kg/kmol]
             virtual tmp<volScalarField> W() const;
 
+            //- Molecular weight for patch [kg/kmol]
+            virtual tmp<scalarField> W(const label patchi) const;
+
 
         // Fields derived from transport state variables
 

applications/solvers/multiphase/reactingEulerFoam/interfacialCompositionModels/interfaceCompositionModels/NonRandomTwoLiquid/NonRandomTwoLiquid.C

@@ -165,7 +165,7 @@ update
         (
             "W",
             dimMass/dimMoles,
-            this->thermo_.composition().W(species1Index_)
+            this->thermo_.composition().Wi(species1Index_)
         )
     );
 
@@ -177,7 +177,7 @@ update
         (
             "W",
             dimMass/dimMoles,
-            this->thermo_.composition().W(species2Index_)
+            this->thermo_.composition().Wi(species2Index_)
         )
     );
 

applications/solvers/multiphase/reactingEulerFoam/interfacialCompositionModels/interfaceCompositionModels/Saturated/Saturated.C

@@ -36,7 +36,7 @@ wRatioByP() const
     (
         "W",
         dimMass/dimMoles,
-        this->thermo_.composition().W(saturatedIndex_)
+        this->thermo_.composition().Wi(saturatedIndex_)
     );
 
     return Wi/this->thermo_.W()/this->thermo_.p();

src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationDiffusionLimitedRate/COxidationDiffusionLimitedRate.C

@@ -52,8 +52,8 @@ Foam::COxidationDiffusionLimitedRate<CloudType>::COxidationDiffusionLimitedRate
     CsLocalId_ = owner.composition().localId(idSolid, "C");
 
     // Set local copies of thermo properties
-    WO2_ = owner.thermo().carrier().W(O2GlobalId_);
+    WO2_ = owner.thermo().carrier().Wi(O2GlobalId_);
-    const scalar WCO2 = owner.thermo().carrier().W(CO2GlobalId_);
+    const scalar WCO2 = owner.thermo().carrier().Wi(CO2GlobalId_);
     WC_ = WCO2 - WO2_;
 
     HcCO2_ = owner.thermo().carrier().Hc(CO2GlobalId_);

src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationHurtMitchell/COxidationHurtMitchell.C

@@ -52,8 +52,8 @@ Foam::COxidationHurtMitchell<CloudType>::COxidationHurtMitchell
     ashLocalId_ = owner.composition().localId(idSolid, "ash", true);
 
     // Set local copies of thermo properties
-    WO2_ = owner.thermo().carrier().W(O2GlobalId_);
+    WO2_ = owner.thermo().carrier().Wi(O2GlobalId_);
-    const scalar WCO2 = owner.thermo().carrier().W(CO2GlobalId_);
+    const scalar WCO2 = owner.thermo().carrier().Wi(CO2GlobalId_);
     WC_ = WCO2 - WO2_;
 
     HcCO2_ = owner.thermo().carrier().Hc(CO2GlobalId_);

src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationIntrinsicRate/COxidationIntrinsicRate.C

@@ -58,8 +58,8 @@ Foam::COxidationIntrinsicRate<CloudType>::COxidationIntrinsicRate
     CsLocalId_ = owner.composition().localId(idSolid, "C");
 
     // Set local copies of thermo properties
-    WO2_ = owner.thermo().carrier().W(O2GlobalId_);
+    WO2_ = owner.thermo().carrier().Wi(O2GlobalId_);
-    const scalar WCO2 = owner.thermo().carrier().W(CO2GlobalId_);
+    const scalar WCO2 = owner.thermo().carrier().Wi(CO2GlobalId_);
     WC_ = WCO2 - WO2_;
 
     HcCO2_ = owner.thermo().carrier().Hc(CO2GlobalId_);

src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationKineticDiffusionLimitedRate/COxidationKineticDiffusionLimitedRate.C

@@ -53,8 +53,8 @@ COxidationKineticDiffusionLimitedRate
     CsLocalId_ = owner.composition().localId(idSolid, "C");
 
     // Set local copies of thermo properties
-    WO2_ = owner.thermo().carrier().W(O2GlobalId_);
+    WO2_ = owner.thermo().carrier().Wi(O2GlobalId_);
-    const scalar WCO2 = owner.thermo().carrier().W(CO2GlobalId_);
+    const scalar WCO2 = owner.thermo().carrier().Wi(CO2GlobalId_);
     WC_ = WCO2 - WO2_;
 
     HcCO2_ = owner.thermo().carrier().Hc(CO2GlobalId_);

src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationMurphyShaddix/COxidationMurphyShaddix.C

@@ -65,8 +65,8 @@ Foam::COxidationMurphyShaddix<CloudType>::COxidationMurphyShaddix
     CsLocalId_ = owner.composition().localId(idSolid, "C");
 
     // Set local copies of thermo properties
-    WO2_ = owner.thermo().carrier().W(O2GlobalId_);
+    WO2_ = owner.thermo().carrier().Wi(O2GlobalId_);
-    const scalar WCO2 = owner.thermo().carrier().W(CO2GlobalId_);
+    const scalar WCO2 = owner.thermo().carrier().Wi(CO2GlobalId_);
     WC_ = WCO2 - WO2_;
 
     HcCO2_ = owner.thermo().carrier().Hc(CO2GlobalId_);

src/lagrangian/intermediate/parcels/Templates/ReactingMultiphaseParcel/ReactingMultiphaseParcel.C

@@ -581,7 +581,7 @@ void Foam::ReactingMultiphaseParcel<ParcelType>::calcDevolatilisation
         {
             const label id = composition.localToCarrierId(GAS, i);
             const scalar Cp = composition.carrier().Cp(id, td.pc(), Ts);
-            const scalar W = composition.carrier().W(id);
+            const scalar W = composition.carrier().Wi(id);
             const scalar Ni = dMassDV[i]/(this->areaS(d)*dt*W);
 
             // Dab calc'd using API vapour mass diffusivity function

src/lagrangian/intermediate/parcels/Templates/ReactingParcel/ReactingParcel.C

@@ -127,7 +127,7 @@ void Foam::ReactingParcel<ParcelType>::calcPhaseChange
             const label cid = composition.localToCarrierId(idPhase, i);
 
             const scalar Cp = composition.carrier().Cp(cid, td.pc(), Tsdash);
-            const scalar W = composition.carrier().W(cid);
+            const scalar W = composition.carrier().Wi(cid);
             const scalar Ni = dMassPC[i]/(this->areaS(d)*dt*W);
 
             const scalar Dab =
@@ -311,7 +311,7 @@ void Foam::ReactingParcel<ParcelType>::correctSurfaceValues
 
     forAll(Xinf, i)
     {
-        Xinf[i] = thermo.carrier().Y(i)[this->cell()]/thermo.carrier().W(i);
+        Xinf[i] = thermo.carrier().Y(i)[this->cell()]/thermo.carrier().Wi(i);
     }
     Xinf /= sum(Xinf);
 
@@ -333,7 +333,7 @@ void Foam::ReactingParcel<ParcelType>::correctSurfaceValues
         const scalar Csi = Cs[i] + Xsff*Xinf[i]*CsTot;
 
         Xs[i] = (2.0*Csi + Xinf[i]*CsTot)/3.0;
-        Ys[i] = Xs[i]*thermo.carrier().W(i);
+        Ys[i] = Xs[i]*thermo.carrier().Wi(i);
     }
     Xs /= sum(Xs);
     Ys /= sum(Ys);
@@ -348,7 +348,7 @@ void Foam::ReactingParcel<ParcelType>::correctSurfaceValues
 
     forAll(Ys, i)
     {
-        const scalar W = thermo.carrier().W(i);
+        const scalar W = thermo.carrier().Wi(i);
         const scalar sqrtW = sqrt(W);
         const scalar cbrtW = cbrt(W);
 

src/lagrangian/intermediate/submodels/Reacting/CompositionModel/CompositionModel/CompositionModel.C

@@ -245,7 +245,7 @@ Foam::scalarField Foam::CompositionModel<CloudType>::X
             forAll(Y, i)
             {
                 label cid = props.carrierIds()[i];
-                X[i] = Y[i]/thermo_.carrier().W(cid);
+                X[i] = Y[i]/thermo_.carrier().Wi(cid);
                 WInv += X[i];
             }
             break;

src/lagrangian/intermediate/submodels/Reacting/PhaseChangeModel/LiquidEvaporation/LiquidEvaporation.C

@@ -43,7 +43,7 @@ Foam::tmp<Foam::scalarField> Foam::LiquidEvaporation<CloudType>::calcXc
     {
         Xc[i] =
             this->owner().thermo().carrier().Y()[i][celli]
-           /this->owner().thermo().carrier().W(i);
+           /this->owner().thermo().carrier().Wi(i);
     }
 
     return Xc/sum(Xc);

src/lagrangian/intermediate/submodels/Reacting/PhaseChangeModel/LiquidEvaporationBoil/LiquidEvaporationBoil.C

@@ -43,7 +43,7 @@ Foam::tmp<Foam::scalarField> Foam::LiquidEvaporationBoil<CloudType>::calcXc
     {
         Xc[i] =
             this->owner().thermo().carrier().Y()[i][celli]
-           /this->owner().thermo().carrier().W(i);
+           /this->owner().thermo().carrier().Wi(i);
     }
 
     return Xc/sum(Xc);

src/regionModels/surfaceFilmModels/submodels/thermo/phaseChangeModel/standardPhaseChange/standardPhaseChange.C

@@ -124,7 +124,7 @@ void standardPhaseChange::correctModel
     );
 
     // Molecular weight of vapour [kg/kmol]
-    const scalar Wvap = thermo.carrier().W(vapId);
+    const scalar Wvap = thermo.carrier().Wi(vapId);
 
     // Molecular weight of liquid [kg/kmol]
     const scalar Wliq = filmThermo.W();

src/regionModels/surfaceFilmModels/submodels/thermo/phaseChangeModel/waxSolventEvaporation/waxSolventEvaporation.C

@@ -179,7 +179,7 @@ void waxSolventEvaporation::correctModel
     );
 
     // Molecular weight of vapour [kg/kmol]
-    const scalar Wvap = thermo.carrier().W(vapId);
+    const scalar Wvap = thermo.carrier().Wi(vapId);
 
     const scalar Wwax = Wwax_.value();
     const scalar Wsolvent = Wsolvent_.value();

src/semiPermeableBaffle/derivedFvPatchFields/semiPermeableBaffleMassFraction/semiPermeableBaffleMassFractionFvPatchScalarField.C

@@ -29,6 +29,62 @@ License
 #include "volFields.H"
 #include "surfaceFields.H"
 #include "turbulenceModel.H"
+#include "psiReactionThermo.H"
+#include "rhoReactionThermo.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+    template<>
+    const char* NamedEnum
+    <
+        semiPermeableBaffleMassFractionFvPatchScalarField::input,
+        4
+    >::names[] =
+    {
+        "none",
+        "massFraction",
+        "moleFraction",
+        "partialPressure",
+    };
+}
+
+const Foam::NamedEnum
+<
+    Foam::semiPermeableBaffleMassFractionFvPatchScalarField::input,
+    4
+> Foam::semiPermeableBaffleMassFractionFvPatchScalarField::inputNames_;
+
+
+// * * * * * * * * * * * * * Static Member Functions * * * * * * * * * * * * //
+
+const Foam::basicSpecieMixture&
+Foam::semiPermeableBaffleMassFractionFvPatchScalarField::composition
+(
+    const objectRegistry& db
+)
+{
+    const word& name = basicThermo::dictName;
+
+    if (db.foundObject<psiReactionThermo>(name))
+    {
+        return db.lookupObject<psiReactionThermo>(name).composition();
+    }
+    else if (db.foundObject<rhoReactionThermo>(name))
+    {
+        return db.lookupObject<rhoReactionThermo>(name).composition();
+    }
+    else
+    {
+        FatalErrorInFunction
+            << "Could not find a multi-component thermodynamic model."
+            << exit(FatalError);
+
+        return NullObjectRef<basicSpecieMixture>();
+    }
+}
+
 
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
@@ -42,7 +98,9 @@ semiPermeableBaffleMassFractionFvPatchScalarField
     mappedPatchBase(p.patch()),
     mixedFvPatchScalarField(p, iF),
     c_(0),
-    phiName_("phi")
+    input_(none),
+    phiName_("phi"),
+    pName_("p")
 {
     refValue() = Zero;
     refGrad() = Zero;
@@ -61,7 +119,14 @@ semiPermeableBaffleMassFractionFvPatchScalarField
     mappedPatchBase(p.patch(), NEARESTPATCHFACE, dict),
     mixedFvPatchScalarField(p, iF),
     c_(dict.lookupOrDefault<scalar>("c", scalar(0))),
-    phiName_(dict.lookupOrDefault<word>("phi", "phi"))
+    input_
+    (
+        c_ == scalar(0)
+      ? none
+      : inputNames_.read(dict.lookup("input"))
+    ),
+    phiName_(dict.lookupOrDefault<word>("phi", "phi")),
+    pName_(dict.lookupOrDefault<word>("p", "p"))
 {
     fvPatchScalarField::operator=(scalarField("value", dict, p.size()));
 
@@ -83,7 +148,9 @@ semiPermeableBaffleMassFractionFvPatchScalarField
     mappedPatchBase(p.patch(), ptf),
     mixedFvPatchScalarField(ptf, p, iF, mapper),
     c_(ptf.c_),
-    phiName_(ptf.phiName_)
+    input_(ptf.input_),
+    phiName_(ptf.phiName_),
+    pName_(ptf.pName_)
 {}
 
 
@@ -96,7 +163,9 @@ semiPermeableBaffleMassFractionFvPatchScalarField
     mappedPatchBase(ptf.patch().patch(), ptf),
     mixedFvPatchScalarField(ptf),
     c_(ptf.c_),
-    phiName_(ptf.phiName_)
+    input_(ptf.input_),
+    phiName_(ptf.phiName_),
+    pName_(ptf.pName_)
 {}
 
 
@@ -110,7 +179,9 @@ semiPermeableBaffleMassFractionFvPatchScalarField
     mappedPatchBase(ptf.patch().patch(), ptf),
     mixedFvPatchScalarField(ptf, iF),
     c_(ptf.c_),
-    phiName_(ptf.phiName_)
+    input_(ptf.input_),
+    phiName_(ptf.phiName_),
+    pName_(ptf.pName_)
 {}
 
 
@@ -126,15 +197,61 @@ Foam::semiPermeableBaffleMassFractionFvPatchScalarField::phiY() const
 
     const word& YName = internalField().name();
 
+    // Initialise the input variables to the mass fractions
+    scalarField psic(patchInternalField());
+
     const label nbrPatchi = samplePolyPatch().index();
     const fvPatch& nbrPatch = patch().boundaryMesh()[nbrPatchi];
-
     const fvPatchScalarField& nbrYp =
         nbrPatch.lookupPatchField<volScalarField, scalar>(YName);
-    scalarField nbrYc(nbrYp.patchInternalField());
+    scalarField nbrPsic(nbrYp.patchInternalField());
-    mappedPatchBase::map().distribute(nbrYc);
+    mappedPatchBase::map().distribute(nbrPsic);
 
-    return c_*patch().magSf()*(patchInternalField() - nbrYc);
+    switch (input_)
+    {
+        case none:
+            FatalErrorInFunction
+                << "A none input cannot be used with a non-zero transfer "
+                << "coefficient" << exit(FatalError);
+
+        case massFraction:
+            // Do nothing
+            break;
+
+        case partialPressure:
+            // Multiply by pressure
+            {
+                psic *=
+                    patch().lookupPatchField<volScalarField, scalar>(pName_);
+
+                fvPatchScalarField nbrP
+                (
+                    nbrPatch.lookupPatchField<volScalarField, scalar>(pName_)
+                );
+                mappedPatchBase::map().distribute(nbrP);
+                nbrPsic *= nbrP;
+            }
+
+            // Falls through ...
+
+        case moleFraction:
+            // Convert to mole fraction
+            {
+                const basicSpecieMixture& mixture = composition(db());
+                const scalar Wi(mixture.Wi(mixture.species()[YName]));
+                const basicThermo& thermo =
+                    db().lookupObject<basicThermo>(basicThermo::dictName);
+
+                psic *= thermo.W(patch().index())/Wi;
+
+                scalarField nbrW(thermo.W(nbrPatch.index()));
+                mappedPatchBase::map().distribute(nbrW);
+                nbrPsic *= nbrW/Wi;
+            }
+            break;
+    }
+
+    return c_*patch().magSf()*(psic - nbrPsic);
 }
 
 
@@ -171,7 +288,10 @@ void Foam::semiPermeableBaffleMassFractionFvPatchScalarField::write
     fvPatchScalarField::write(os);
     mappedPatchBase::write(os);
     writeEntryIfDifferent<scalar>(os, "c", scalar(0), c_);
+    os.writeKeyword("input") << inputNames_[input_]
+        << token::END_STATEMENT << nl;
     writeEntryIfDifferent<word>(os, "phi", "phi", phiName_);
+    writeEntryIfDifferent<word>(os, "p", "p", pName_);
     writeEntry("value", os);
 }
 

src/semiPermeableBaffle/derivedFvPatchFields/semiPermeableBaffleMassFraction/semiPermeableBaffleMassFractionFvPatchScalarField.H

@@ -33,17 +33,17 @@ Description
     semiPermeableBaffleVelocityFvPatchVectorField.
 
     The mass flux of a species is calculated as a coefficient multiplied by the
-    difference in mass fraction across the baffle.
+    difference in an input variable across the baffle.
         \f[
-            \phi_{Yi} = c A (Y_i - Y_{i,n})
+            \phi_{Yi} = c A (\psi_i - \psi_{i,n})
         \f]
         where
         \vartable
-            \phi_{Yi} | flux of the permeable species [kg/s]
+            \phi_{Yi}  | flux of the permeable species [kg/s]
-            c         | transfer coefficient [kg/m2/s]
+            c          | transfer coefficient [kg/m2/s/<input-dimensions>]
-            A         | patch face area [m2]
+            A          | patch face area [m2]
-            Y_i       | mass fraction on the patch []
+            \psi_i     | input variable on the patch []
-            Y_{i,n}   | mass fraction on the neighbour patch []
+            \psi_{i,n} | input variable on the neighbour patch []
         \endvartable
 
     A species that the baffle is permeable to will, therefore, have a
@@ -57,9 +57,12 @@ Description
 
 Usage
     \table
-        Property | Description            | Req'd? | Default
+        Property | Description                | Req'd? | Default
-        c        | Transfer coefficient   | no     | 0
+        c        | Transfer coefficient       | no     | 0
-        phi      | Name of the flux field | no     | phi
+        input    | Input variable used to drive the transfer; massFraction, \\
+        moleFraction or partialPressure | if c is non-zero | none
+        phi      | Name of the flux field     | no     | phi
+        p        | Name of the pressure field | no     | p
     \endtable
 
 See also
@@ -81,6 +84,8 @@ SourceFiles
 namespace Foam
 {
 
+class basicSpecieMixture;
+
 /*---------------------------------------------------------------------------*\
       Class semiPermeableBaffleMassFractionFvPatchScalarField Declaration
 \*---------------------------------------------------------------------------*/
@@ -90,14 +95,37 @@ class semiPermeableBaffleMassFractionFvPatchScalarField
     public mappedPatchBase,
     public mixedFvPatchScalarField
 {
+public:
+
+        //- Enumeration for the input variable driving the transfer
+        enum input
+        {
+            none,
+            massFraction,
+            moleFraction,
+            partialPressure,
+        };
+
+        //- Input variable type names
+        static const NamedEnum<input, 4> inputNames_;
+
+
+private:
+
     // Private data
 
         //- Transfer coefficient
         const scalar c_;
 
+        //- Input variable driving the transfer
+        const input input_;
+
         //- Name of the flux field
         const word phiName_;
 
+        //- Name of the pressure field. Only needed if mode is pressure.
+        const word pName_;
+
 
 public:
 
@@ -105,6 +133,12 @@ public:
     TypeName("semiPermeableBaffleMassFraction");
 
 
+    // Static member functions
+
+        //- Access the composition for the given database
+        static const basicSpecieMixture& composition(const objectRegistry& db);
+
+
     // Constructors
 
         //- Construct from patch and internal field

src/semiPermeableBaffle/derivedFvPatchFields/semiPermeableBaffleVelocity/semiPermeableBaffleVelocityFvPatchVectorField.C

@@ -32,32 +32,6 @@ License
 #include "psiReactionThermo.H"
 #include "rhoReactionThermo.H"
 
-// * * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * //
-
-const Foam::basicSpecieMixture&
-Foam::semiPermeableBaffleVelocityFvPatchVectorField::composition() const
-{
-    const word& name = basicThermo::dictName;
-
-    if (db().foundObject<psiReactionThermo>(name))
-    {
-        return db().lookupObject<psiReactionThermo>(name).composition();
-    }
-    else if (db().foundObject<rhoReactionThermo>(name))
-    {
-        return db().lookupObject<rhoReactionThermo>(name).composition();
-    }
-    else
-    {
-        FatalErrorInFunction
-            << "Could not find a multi-component thermodynamic model."
-            << exit(FatalError);
-
-        return NullObjectRef<basicSpecieMixture>();
-    }
-}
-
-
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
 Foam::semiPermeableBaffleVelocityFvPatchVectorField::
@@ -138,7 +112,7 @@ void Foam::semiPermeableBaffleVelocityFvPatchVectorField::updateCoeffs()
     const scalarField& rhop =
         patch().lookupPatchField<volScalarField, scalar>(rhoName_);
 
-    const PtrList<volScalarField>& Y = composition().Y();
+    const PtrList<volScalarField>& Y = YBCType::composition(db()).Y();
 
     scalarField phip(patch().size(), Zero);
     forAll(Y, i)

src/semiPermeableBaffle/derivedFvPatchFields/semiPermeableBaffleVelocity/semiPermeableBaffleVelocityFvPatchVectorField.H

@@ -60,8 +60,6 @@ SourceFiles
 namespace Foam
 {
 
-class basicSpecieMixture;
-
 /*---------------------------------------------------------------------------*\
        Class semiPermeableBaffleVelocityFvPatchVectorField Declaration
 \*---------------------------------------------------------------------------*/
@@ -76,12 +74,6 @@ class semiPermeableBaffleVelocityFvPatchVectorField
         const word rhoName_;
 
 
-    // Private Member Functions
-
-        //- Return the composition
-        const basicSpecieMixture& composition() const;
-
-
 public:
 
     //- Runtime type information

src/thermophysicalModels/basic/basicThermo/basicThermo.H

@@ -404,6 +404,9 @@ public:
             //- Molecular weight [kg/kmol]
             virtual tmp<volScalarField> W() const = 0;
 
+            //- Molecular weight for patch [kg/kmol]
+            virtual tmp<scalarField> W(const label patchi) const = 0;
+
 
         // Access to transport state variables
 

src/thermophysicalModels/basic/heThermo/heThermo.C

@@ -768,6 +768,25 @@ Foam::tmp<Foam::volScalarField> Foam::heThermo<BasicThermo, MixtureType>::W
 }
 
 
+template<class BasicThermo, class MixtureType>
+Foam::tmp<Foam::scalarField> Foam::heThermo<BasicThermo, MixtureType>::W
+(
+    const label patchi
+) const
+{
+    const fvMesh& mesh = this->T_.mesh();
+
+    tmp<scalarField> tW(new scalarField(mesh.boundaryMesh()[patchi].size()));
+    scalarField& W = tW.ref();
+    forAll(W, facei)
+    {
+        W[facei] = this->patchFaceMixture(patchi, facei).W();
+    }
+
+    return tW;
+}
+
+
 template<class BasicThermo, class MixtureType>
 Foam::tmp<Foam::volScalarField>
 Foam::heThermo<BasicThermo, MixtureType>::kappa() const

src/thermophysicalModels/basic/heThermo/heThermo.H

@@ -262,6 +262,9 @@ public:
             //- Molecular weight [kg/kmol]
             virtual tmp<volScalarField> W() const;
 
+            //- Molecular weight for patch [kg/kmol]
+            virtual tmp<scalarField> W(const label patchi) const;
+
 
         // Fields derived from transport state variables
 

src/thermophysicalModels/radiation/submodels/absorptionEmissionModel/greyMeanAbsorptionEmission/greyMeanAbsorptionEmission.C

@@ -225,11 +225,11 @@ Foam::radiation::greyMeanAbsorptionEmission::aCont(const label bandI) const
                 scalar invWt = 0.0;
                 forAll(mixture.Y(), s)
                 {
-                    invWt += mixture.Y(s)[celli]/mixture.W(s);
+                    invWt += mixture.Y(s)[celli]/mixture.Wi(s);
                 }
 
                 label index = mixture.species()[iter.key()];
-                scalar Xk = mixture.Y(index)[celli]/(mixture.W(index)*invWt);
+                scalar Xk = mixture.Y(index)[celli]/(mixture.Wi(index)*invWt);
 
                 Xipi = Xk*paToAtm(p[celli]);
             }

src/thermophysicalModels/radiation/submodels/absorptionEmissionModel/wideBandAbsorptionEmission/wideBandAbsorptionEmission.C

@@ -239,13 +239,13 @@ Foam::radiation::wideBandAbsorptionEmission::aCont(const label bandi) const
                 scalar invWt = 0;
                 forAll(mixture.Y(), s)
                 {
-                    invWt += mixture.Y(s)[celli]/mixture.W(s);
+                    invWt += mixture.Y(s)[celli]/mixture.Wi(s);
                 }
 
                 const label index = mixture.species()[iter.key()];
 
                 const scalar Xk =
-                    mixture.Y(index)[celli]/(mixture.W(index)*invWt);
+                    mixture.Y(index)[celli]/(mixture.Wi(index)*invWt);
 
                 Xipi = Xk*paToAtm(p[celli]);
             }

src/thermophysicalModels/reactionThermo/functionObjects/moleFractions/moleFractions.C

@@ -42,9 +42,9 @@ void Foam::moleFractions<ThermoType>::calculateMoleFractions()
     {
         const dimensionedScalar Wi
         (
-            "W",
+            "Wi",
             dimMass/dimMoles,
-            thermo.composition().W(i)
+            thermo.composition().Wi(i)
         );
 
         X_[i] = W*Y[i]/Wi;

src/thermophysicalModels/reactionThermo/mixtures/SpecieMixture/SpecieMixture.C

@@ -49,7 +49,7 @@ Foam::SpecieMixture<MixtureType>::SpecieMixture
 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
 template<class MixtureType>
-Foam::scalar Foam::SpecieMixture<MixtureType>::W
+Foam::scalar Foam::SpecieMixture<MixtureType>::Wi
 (
     const label speciei
 ) const

src/thermophysicalModels/reactionThermo/mixtures/SpecieMixture/SpecieMixture.H

@@ -76,7 +76,7 @@ public:
         // Per specie properties
 
             //- Molecular weight of the given specie [kg/kmol]
-            virtual scalar W(const label speciei) const;
+            virtual scalar Wi(const label speciei) const;
 
 
         // Per specie thermo properties

src/thermophysicalModels/reactionThermo/mixtures/basicSpecieMixture/basicSpecieMixture.H

@@ -83,7 +83,7 @@ public:
         // Per specie properties
 
             //- Molecular weight of the given specie [kg/kmol]
-            virtual scalar W(const label speciei) const = 0;
+            virtual scalar Wi(const label speciei) const = 0;
 
 
         // Per specie thermo properties

tutorials/combustion/reactingFoam/RAS/membrane/0/CH4.orig

@@ -54,6 +54,7 @@ boundaryField
         type            semiPermeableBaffleMassFraction;
         samplePatch     membranePipe;
         c               0.1;
+        input           massFraction;
         value           uniform $:sleeve.CH4;
     }
     membranePipe
@@ -61,6 +62,7 @@ boundaryField
         type            semiPermeableBaffleMassFraction;
         samplePatch     membraneSleeve;
         c               0.1;
+        input           massFraction;
         value           uniform $:pipe.CH4;
     }
 }