functionObjects::specieFlux: New functions to calculate specie fluxes

These functions calculate the specie-flux and write it as a
surfaceScalarField called 'specie<Type>Flux(<specieName>)'. There are
three such functions; specieAdvectiveFlux and specieDiffusiveFlux return
the advective and diffusive parts of the flux, respectively, and
specieFlux returns the total combined flux.

Example of function object specification:

    specieFlux
    {
        type    specieFlux; // specieAdvectiveFlux, specieDiffusiveFlux
        libs    ("libfieldFunctionObjects.so");
        field   NH3;
    }

Or, using the standard configuration:

    #includeFunc specieFlux(NH3)

etc/caseDicts/functions/fields/specieAdvectiveFlux

@@ -0,0 +1,22 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     | Website:  https://openfoam.org
+    \\  /    A nd           | Version:  dev
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+Description
+    Calculate the specie-flux and write it as a surfaceScalarField
+    'specieAdvectiveFlux(<specieName>)'.
+
+\*---------------------------------------------------------------------------*/
+
+type            specieAdvectiveFlux;
+libs            ("libfieldFunctionObjects.so");
+
+field           <specieName>;
+
+executeControl  writeTime;
+writeControl    writeTime;
+
+// ************************************************************************* //

etc/caseDicts/functions/fields/specieDiffusiveFlux

@@ -0,0 +1,22 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     | Website:  https://openfoam.org
+    \\  /    A nd           | Version:  dev
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+Description
+    Calculate the specie-flux and write it as a surfaceScalarField
+    'specieDiffusiveFlux(<specieName>)'.
+
+\*---------------------------------------------------------------------------*/
+
+type            specieDiffusiveFlux;
+libs            ("libfieldFunctionObjects.so");
+
+field           <specieName>;
+
+executeControl  writeTime;
+writeControl    writeTime;
+
+// ************************************************************************* //

etc/caseDicts/functions/fields/specieFlux

@@ -0,0 +1,22 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     | Website:  https://openfoam.org
+    \\  /    A nd           | Version:  dev
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+Description
+    Calculate the specie-flux and write it as a surfaceScalarField
+    'specieFlux(<specieName>)'.
+
+\*---------------------------------------------------------------------------*/
+
+type            specieFlux;
+libs            ("libfieldFunctionObjects.so");
+
+field           <specieName>;
+
+executeControl  writeTime;
+writeControl    writeTime;
+
+// ************************************************************************* //

src/functionObjects/field/Make/files

@@ -54,6 +54,7 @@ yPlus/yPlus.C
 turbulenceIntensity/turbulenceIntensity.C
 wallShearStress/wallShearStress.C
 wallHeatFlux/wallHeatFlux.C
+specieFlux/specieFlux.C
 
 wallHeatTransferCoeff/wallHeatTransferCoeff.C
 wallHeatTransferCoeff/wallHeatTransferCoeffModels/wallHeatTransferCoeffModel/wallHeatTransferCoeffModel.C

src/functionObjects/field/Make/options

@@ -6,8 +6,10 @@ EXE_INC = \
     -I$(LIB_SRC)/sampling/lnInclude \
     -I$(LIB_SRC)/surfMesh/lnInclude \
     -I$(LIB_SRC)/physicalProperties/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/specie/lnInclude \
     -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \
     -I$(LIB_SRC)/thermophysicalModels/solidThermo/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/multicomponentThermo/lnInclude \
     -I$(LIB_SRC)/physicalProperties/lnInclude \
     -I$(LIB_SRC)/MomentumTransportModels/momentumTransportModels/lnInclude \
     -I$(LIB_SRC)/MomentumTransportModels/incompressible/lnInclude \
@@ -25,6 +27,8 @@ LIB_LIBS = \
     -lincompressibleMomentumTransportModels \
     -lcompressibleMomentumTransportModels \
     -lfluidThermoThermophysicalTransportModels \
+    -lmulticomponentThermophysicalModels \
+    -lfluidThermophysicalTransportModel \
     -lsolidThermophysicalTransportModels \
     -lmeshTools \
     -lsurfMesh \

src/functionObjects/field/specieFlux/specieFlux.C

@@ -0,0 +1,209 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     | Website:  https://openfoam.org
+    \\  /    A nd           | Copyright (C) 2024 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/>.
+
+\*---------------------------------------------------------------------------*/
+
+#include "specieFlux.H"
+#include "fluidThermophysicalTransportModel.H"
+#include "fvcFlux.H"
+#include "multicomponentThermo.H"
+#include "addToRunTimeSelectionTable.H"
+
+// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
+
+namespace Foam
+{
+namespace functionObjects
+{
+    defineTypeNameAndDebug(specieFlux, 0);
+    addToRunTimeSelectionTable(functionObject, specieFlux, dictionary);
+
+    defineTypeNameAndDebug(specieAdvectiveFlux, 0);
+    addToRunTimeSelectionTable(functionObject, specieAdvectiveFlux, dictionary);
+
+    defineTypeNameAndDebug(specieDiffusiveFlux, 0);
+    addToRunTimeSelectionTable(functionObject, specieDiffusiveFlux, dictionary);
+}
+}
+
+
+// * * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * //
+
+bool Foam::functionObjects::specieFluxBase::calc()
+{
+    const word thermoName =
+        IOobject::groupName
+        (
+            physicalProperties::typeName,
+            IOobject::group(fieldName_)
+        );
+
+    const word ttmName =
+        IOobject::groupName
+        (
+            fluidThermophysicalTransportModel::typeName,
+            IOobject::group(fieldName_)
+        );
+
+    if
+    (
+        !foundObject<multicomponentThermo>(thermoName)
+     || !foundObject<fluidThermophysicalTransportModel>(ttmName)
+    )
+    {
+        return false;
+    }
+
+    const multicomponentThermo& thermo =
+        lookupObject<multicomponentThermo>(thermoName);
+
+    const fluidThermophysicalTransportModel& ttm =
+        lookupObject<fluidThermophysicalTransportModel>(ttmName);
+
+    const volScalarField& Yi = thermo.Y(fieldName_);
+
+    return store(resultName_, calc(ttm, Yi));
+}
+
+
+Foam::tmp<Foam::surfaceScalarField>
+Foam::functionObjects::specieFlux::calc
+(
+    const fluidThermophysicalTransportModel& ttm,
+    const volScalarField& Yi
+)
+{
+    return calcPhiYif(ttm, Yi) + calcJ(ttm, Yi);
+}
+
+
+Foam::tmp<Foam::surfaceScalarField>
+Foam::functionObjects::specieAdvectiveFlux::calc
+(
+    const fluidThermophysicalTransportModel& ttm,
+    const volScalarField& Yi
+)
+{
+    return calcPhiYif(ttm, Yi);
+}
+
+
+Foam::tmp<Foam::surfaceScalarField>
+Foam::functionObjects::specieDiffusiveFlux::calc
+(
+    const fluidThermophysicalTransportModel& ttm,
+    const volScalarField& Yi
+)
+{
+    return calcJ(ttm, Yi);
+}
+
+
+// * * * * * * * * * * * * * Protected Member Functions  * * * * * * * * * * //
+
+Foam::tmp<Foam::surfaceScalarField>
+Foam::functionObjects::specieFluxBase::calcPhiYif
+(
+    const fluidThermophysicalTransportModel& ttm,
+    const volScalarField& Yi
+) const
+{
+    const surfaceScalarField& phi = ttm.momentumTransport().alphaRhoPhi();
+
+    return
+        fvc::flux
+        (
+            phi,
+            Yi,
+            "div(" + phi.name() + "," + schemesField_ + ")"
+        )/Yi.mesh().magSf();
+}
+
+
+Foam::tmp<Foam::surfaceScalarField>
+Foam::functionObjects::specieFluxBase::calcJ
+(
+    const fluidThermophysicalTransportModel& ttm,
+
+    const volScalarField& Yi
+) const
+{
+    return ttm.j(Yi);
+}
+
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+Foam::functionObjects::specieFluxBase::specieFluxBase
+(
+    const word& name,
+    const Time& runTime,
+    const dictionary& dict,
+    const word& typeName
+)
+:
+    fieldExpression(name, runTime, dict, typeName),
+    schemesField_(dict.lookupOrDefault<word>("schemesField", "Yi"))
+{}
+
+
+Foam::functionObjects::specieFlux::specieFlux
+(
+    const word& name,
+    const Time& runTime,
+    const dictionary& dict
+)
+:
+    specieFluxBase(name, runTime, dict, typeName)
+{}
+
+
+Foam::functionObjects::specieAdvectiveFlux::specieAdvectiveFlux
+(
+    const word& name,
+    const Time& runTime,
+    const dictionary& dict
+)
+:
+    specieFluxBase(name, runTime, dict, typeName)
+{}
+
+
+Foam::functionObjects::specieDiffusiveFlux::specieDiffusiveFlux
+(
+    const word& name,
+    const Time& runTime,
+    const dictionary& dict
+)
+:
+    specieFluxBase(name, runTime, dict, typeName)
+{}
+
+
+// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
+
+Foam::functionObjects::specieFluxBase::~specieFluxBase()
+{}
+
+
+// ************************************************************************* //

src/functionObjects/field/specieFlux/specieFlux.H

@@ -0,0 +1,272 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     | Website:  https://openfoam.org
+    \\  /    A nd           | Copyright (C) 2024 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::functionObjects::specieFlux
+
+Description
+    These functions calculate the specie-flux and write it as a
+    surfaceScalarField called 'specie<Type>Flux(<specieName>)'. There are
+    three such functions; specieAdvectiveFlux and specieDiffusiveFlux return
+    the advective and diffusive parts of the flux, respectively, and
+    specieFlux returns the total combined flux.
+
+    Example of function object specification:
+    \verbatim
+    specieFlux
+    {
+        type    specieFlux; // specieAdvectiveFlux, specieDiffusiveFlux
+        libs    ("libfieldFunctionObjects.so");
+        field   NH3;
+    }
+    \endverbatim
+
+    Or, using the standard configuration:
+    \verbatim
+    #includeFunc specieFlux(NH3)
+    \endverbatim
+
+Usage
+    \table
+        Property     | Description                | Required | Default value
+        type         | Type name: specieFlux, \\
+                       specieAdvectiveFlux, or \\
+                       specieDiffusiveFlux        | yes      |
+        field        | Name of the specie/mass \\
+                       fraction field             | yes      |
+        schemesField | Name of the field from \\
+                       which schemes are taken    | no       | Yi
+        region       | Region to be evaluated     | no       | default region
+    \endtable
+
+SourceFiles
+    specieFlux.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef specieFlux_H
+#define specieFlux_H
+
+#include "fieldExpression.H"
+#include "volFieldsFwd.H"
+#include "surfaceFieldsFwd.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+class fluidThermophysicalTransportModel;
+
+namespace functionObjects
+{
+
+/*---------------------------------------------------------------------------*\
+                          Class specieFluxBase Declaration
+\*---------------------------------------------------------------------------*/
+
+class specieFluxBase
+:
+    public fieldExpression
+{
+    // Protected Data
+
+        //- Name of field from which schemes are taken
+        const word schemesField_;
+
+
+    // Private Member Functions
+
+        //- Calculate the specie flux field and return true if successful
+        virtual bool calc();
+
+        //- Calculate the specie flux field
+        virtual tmp<surfaceScalarField> calc
+        (
+            const fluidThermophysicalTransportModel& ttm,
+            const volScalarField& Yi
+        ) = 0;
+
+
+protected:
+
+    // Protected Member Functions
+
+        //- Return the advective flux
+        tmp<surfaceScalarField> calcPhiYif
+        (
+            const fluidThermophysicalTransportModel& ttm,
+            const volScalarField& Yi
+        ) const;
+
+        //- Return the diffusive flux
+        tmp<surfaceScalarField> calcJ
+        (
+            const fluidThermophysicalTransportModel& ttm,
+            const volScalarField& Yi
+        ) const;
+
+public:
+
+
+    // Constructors
+
+        //- Construct from Time and dictionary
+        specieFluxBase
+        (
+            const word& name,
+            const Time& runTime,
+            const dictionary& dict,
+            const word& typeName
+        );
+
+
+    //- Destructor
+    virtual ~specieFluxBase();
+};
+
+
+/*---------------------------------------------------------------------------*\
+                       Class specieFlux Declaration
+\*---------------------------------------------------------------------------*/
+
+class specieFlux
+:
+    public specieFluxBase
+{
+private:
+
+    // Private Member Functions
+
+        //- Calculate the specie flux field
+        virtual tmp<surfaceScalarField> calc
+        (
+            const fluidThermophysicalTransportModel& ttm,
+            const volScalarField& Yi
+        );
+
+
+public:
+
+    //- Runtime type information
+    TypeName("specieFlux");
+
+
+    // Constructors
+
+        //- Construct from Time and dictionary
+        specieFlux
+        (
+            const word& name,
+            const Time& runTime,
+            const dictionary& dict
+        );
+};
+
+
+/*---------------------------------------------------------------------------*\
+                       Class specieAdvectiveFlux Declaration
+\*---------------------------------------------------------------------------*/
+
+class specieAdvectiveFlux
+:
+    public specieFluxBase
+{
+private:
+
+    // Private Member Functions
+
+        //- Calculate the specie flux field
+        virtual tmp<surfaceScalarField> calc
+        (
+            const fluidThermophysicalTransportModel& ttm,
+            const volScalarField& Yi
+        );
+
+
+public:
+
+    //- Runtime type information
+    TypeName("specieAdvectiveFlux");
+
+
+    // Constructors
+
+        //- Construct from Time and dictionary
+        specieAdvectiveFlux
+        (
+            const word& name,
+            const Time& runTime,
+            const dictionary& dict
+        );
+};
+
+
+/*---------------------------------------------------------------------------*\
+                       Class specieDiffusiveFlux Declaration
+\*---------------------------------------------------------------------------*/
+
+class specieDiffusiveFlux
+:
+    public specieFluxBase
+{
+private:
+
+    // Private Member Functions
+
+        //- Calculate the specie flux field
+        virtual tmp<surfaceScalarField> calc
+        (
+            const fluidThermophysicalTransportModel& ttm,
+            const volScalarField& Yi
+        );
+
+
+public:
+
+    //- Runtime type information
+    TypeName("specieDiffusiveFlux");
+
+
+    // Constructors
+
+        //- Construct from Time and dictionary
+        specieDiffusiveFlux
+        (
+            const word& name,
+            const Time& runTime,
+            const dictionary& dict
+        );
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace functionObjects
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //

tutorials/multicomponentFluid/membrane/Allclean

@@ -0,0 +1,9 @@
+#!/bin/sh
+cd ${0%/*} || exit 1    # Run from this directory
+
+# Source tutorial clean functions
+. $WM_PROJECT_DIR/bin/tools/CleanFunctions
+
+cleanCase && rm -rf 0/specieFlux* 0/uniform
+
+#------------------------------------------------------------------------------

tutorials/multicomponentFluid/membrane/system/functions

@@ -0,0 +1,41 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     | Website:  https://openfoam.org
+    \\  /    A nd           | Version:  dev
+     \\/     M anipulation  |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    format      ascii;
+    class       dictionary;
+    location    "system";
+    object      functions;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#includeFunc specieFlux(O2, schemesField=Yi_h, executeControl=timeStep)
+
+#includeFunc specieFlux(CH4, schemesField=Yi_h, executeControl=timeStep)
+
+#includeFunc specieFlux(N2, schemesField=Yi_h, executeControl=timeStep)
+
+#includeFunc patchIntegrate
+(
+    name=membraneSleeveSpecieFluxes,
+    patch=membraneSleeve,
+    specieFlux(O2),
+    specieFlux(CH4),
+    specieFlux(N2)
+)
+
+#includeFunc patchIntegrate
+(
+    name=membranePipeSpecieFluxes,
+    patch=membranePipe,
+    specieFlux(O2),
+    specieFlux(CH4),
+    specieFlux(N2)
+)
+
+// ************************************************************************* //