speciesSorptionFvPatchScalarField.H

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/*---------------------------------------------------------------------------*\
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    Copyright (C) 2022 OpenCFD Ltd.
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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.
 
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    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::speciesSorptionFvPatchScalarField
 
Group
    grpGenericBoundaryConditions
 
Description
    This boundary condition provides a first-order zero-gradient
    condition for a given scalar field to model time-dependent
    adsorption-desorption processes.
 
    \f[
        \frac{d c}{d t} = k_{ads} (c_{eq} - c_{abs})
    \f]
 
    where
    \vartable
      c_{eq}       | Equilibrium concentration
      c_{abs}      | Absorbed at wall
      k_{ads}      | Adsorption rate constant [1/s]
    \endvartable
 
    \f[
        c_{eq} = c_{max} \frac{k_l \, c_{int}}{1 + k_l \, c_{int}}
    \f]
 
    where
    \vartable
      c_{max}      | Maximum concentration
      k_l          | Langmuir constant
      c_{int}      | Local cell value concentration
    \endvartable
 
Usage
    Example of the boundary condition specification:
    \verbatim
    <patchName>
    {
        // Mandatory entries
        type                    speciesSorption;
        equilibriumModel        <word>;
        kinematicModel          <word>;
        kabs                    <scalar>;
        kl                      <scalar>;
        max                     <scalar>;
        thickness               <PatchFunction1<scalar>>;
        rhoS                    <scalar>;
 
        // Optional entries
        dfldp                   <scalarField>;
        mass                    <scalarField>;
        pName                   <word>;
 
        // Inherited entries
        ...
    }
    \endverbatim
 
    where the entries mean:
    \table
      Property | Description                        | Type   | Reqd | Deflt
      type     | Type name: speciesSorption         | word   | yes  | -
      equilibriumModel    | Equilibrium model       | word   | yes  | -
      kinematicModel      | Kinematic model         | word   | yes  | -
      kabs     | Adsorption rate constant [1/s]     | scalar | yes  | -
      kl       | Langmuir constant [1/Pa]           | scalar | yes  | -
      max      | Maximum concentation at wall [mol/kg] | scalar | yes | -
      thickness| Solid thickness along the patch   <!--
               -->                   | PatchFunction1<scalar> | yes | -
      rhoS     | Solid density                      | scalar | yes  | -
      dfldp    | Source on cells next to patch      | scalarField | no  | Zero
      mass     | Absorbed mass per kg of absorbent [mol/kg] <!--
               -->                                  | scalarField | no  | Zero
      pName    | Name of operand pressure field     | word   | no   | p
    \endtable
 
    Options for the \c equilibriumModel entry:
    \verbatim
      Langmuir    | Langmuir model
    \endverbatim
 
    Options for the \c kinematicModel entry:
    \verbatim
      PseudoFirstOrder    | Pseudo first-order model
    \endverbatim
 
    The inherited entries are elaborated in:
      - \link zeroGradientFvPatchFields.H \endlink
      - \link PatchFunction1.H \endlink
 
SourceFiles
    speciesSorptionFvPatchScalarField.C
 
\*---------------------------------------------------------------------------*/
 
#ifndef Foam_speciesSorptionFvPatchScalarField_H
#define Foam_speciesSorptionFvPatchScalarField_H
 
#include "boundarySourcePatch.H"
#include "zeroGradientFvPatchFields.H"
#include "PatchFunction1.H"
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
namespace Foam
{
 
/*---------------------------------------------------------------------------*\
             Class speciesSorptionFvPatchScalarField Declaration
\*---------------------------------------------------------------------------*/
 
class speciesSorptionFvPatchScalarField
:
    public zeroGradientFvPatchField<scalar>,
    public boundarySourcePatch
{
public:
 
    // Public Enumeration
 
        //- Options for the equilibrum model
        enum equilibriumModelType : char
        {
            LANGMUIR = 0
        };
 
        //- Options for the kinematic model
        enum kineticModelType : char
        {
            PseudoFirstOrder = 0
        };
 
        //- Names for equilibriumModelType
        static const Enum<equilibriumModelType> equilibriumModelTypeNames;
 
        //- Names for kineticModelType
        static const Enum<kineticModelType> kinematicModelTypeNames;
 
 
private:
 
    // Private Data
 
        //- Equilibrium model
        enum equilibriumModelType equilibriumModel_;
 
        //- Kinematic model
        enum kineticModelType kinematicModel_;
 
        //- Solid thickness along the patch
        autoPtr<PatchFunction1<scalar>> thicknessPtr_;
 
        //- Adsorption rate constant  [1/sec]
        scalar kabs_;
 
        //- Langmuir adsorption constant [1/Pa]
        scalar kl_;
 
        //- Maximum density on patch [mol/kg]
        scalar max_;
 
        //- Solid density
        scalar rhoS_;
 
        //- Name of operand pressure field
        word pName_;
 
        //- Source on cells next to patch [mol/kg/sec]
        scalarField dfldp_;
 
        //- Absorbed mass per kg of absorbent [mol/kg]
        scalarField mass_;
 
 
    // Private Member Functions
 
        //- Calculate the mole fraction fields
        tmp<scalarField> calcMoleFractions() const;
 
        //- Lookup (or create) field for output
        volScalarField& field(const word&, const dimensionSet&) const;
 
 
public:
 
    //- Runtime type information
    TypeName("speciesSorption");
 
 
    // Constructors
 
        //- Construct from patch and internal field
        speciesSorptionFvPatchScalarField
        (
            const fvPatch&,
            const DimensionedField<scalar, volMesh>&
        );
 
        //- Construct from patch, internal field and dictionary
        speciesSorptionFvPatchScalarField
        (
            const fvPatch&,
            const DimensionedField<scalar, volMesh>&,
            const dictionary&
        );
 
        //- Construct by mapping given
        //- speciesSorptionFvPatchScalarField onto a new patch
        speciesSorptionFvPatchScalarField
        (
            const speciesSorptionFvPatchScalarField&,
            const fvPatch&,
            const DimensionedField<scalar, volMesh>&,
            const fvPatchFieldMapper&
        );
 
        //- Construct as copy
        speciesSorptionFvPatchScalarField
        (
            const speciesSorptionFvPatchScalarField&
        );
 
        //- Construct and return a clone
        virtual tmp<fvPatchScalarField> clone() const
        {
            return tmp<fvPatchScalarField>
            (
                new speciesSorptionFvPatchScalarField(*this)
            );
        }
 
        //- Construct as copy setting internal field reference
        speciesSorptionFvPatchScalarField
        (
            const speciesSorptionFvPatchScalarField&,
            const DimensionedField<scalar, volMesh>&
        );
 
        //- Construct and return a clone setting internal field reference
        virtual tmp<fvPatchScalarField> clone
        (
            const DimensionedField<scalar, volMesh>& iF
        ) const
        {
            return tmp<fvPatchScalarField>
            (
                new speciesSorptionFvPatchScalarField(*this, iF)
            );
        }
 
 
    // Member Functions
 
    // Mapping
 
        //- Map (and resize as needed) from self given a mapping object
        virtual void autoMap
        (
            const fvPatchFieldMapper&
        );
 
        //- Reverse map the given fvPatchField onto this fvPatchField
        virtual void rmap
        (
            const fvPatchScalarField&,
            const labelList&
        );
 
 
    // Evaluation
 
        //- Source of cells next to the patch
        virtual tmp<scalarField> patchSource() const;
 
        //- Access to mass
        tmp<scalarField> mass() const;
 
        //- Update the coefficients associated with the patch field
        virtual void updateCoeffs();
 
 
    // I-O
 
        //- Write
        virtual void write(Ostream&) const;
};
 
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
} // End namespace Foam
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
#endif
 
// ************************************************************************* //