.gitlab-ci.yml

@@ -1,23 +0,0 @@
-allmake:
-  image: park0d/of4builder
-  tags:
-    - openfoam4
-  before_script:
-    - "[[ -d ../ThirdParty-4.x ]] || git clone https://github.com/OpenFOAM/ThirdParty-4.x.git ../ThirdParty-4.x"
-    - source etc/bashrc
-    - rm -rf platforms
-    - wclean all
-  script:
-    - ./Allwmake -j
-  artifacts:
-    paths:
-      - ./
-
-cantera:
-    image: park0d/of4builder
-    tags:
-        - openfoam4
-    script:
-        - whereis libcantera
-    
-  

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

@@ -96,8 +96,7 @@ void Foam::ReactingParcel<ParcelType>::calcPhaseChange
         pc_,
         this->Tc_,
         X,
-        dMassPC,
+        dMassPC
-        this->rhoc_
     );
 
     // Limit phase change mass by availability of each specie

src/lagrangian/intermediate/parcels/include/makeReactingParcelPhaseChangeModels.H

@@ -30,7 +30,6 @@ License
 
 #include "NoPhaseChange.H"
 #include "LiquidEvaporation.H"
-#include "LiquidEvaporationConvDiff.H"
 #include "LiquidEvaporationBoil.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@@ -40,7 +39,6 @@ License
     makePhaseChangeModel(CloudType);                                           \
     makePhaseChangeModelType(NoPhaseChange, CloudType);                        \
     makePhaseChangeModelType(LiquidEvaporation, CloudType);                    \
-    makePhaseChangeModelType(LiquidEvaporationConvDiff, CloudType);            \
     makePhaseChangeModelType(LiquidEvaporationBoil, CloudType);
 
 

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

@@ -142,8 +142,7 @@ void Foam::LiquidEvaporation<CloudType>::calculate
     const scalar pc,
     const scalar Tc,
     const scalarField& X,
-    scalarField& dMassPC,
+    scalarField& dMassPC
-    const scalar rhoc
 ) const
 {
     // immediately evaporate mass that has reached critical condition
@@ -197,8 +196,8 @@ void Foam::LiquidEvaporation<CloudType>::calculate
         // vapour concentration at surface [kmol/m3] at film temperature
         const scalar Cs = pSat/(RR*Ts);
 
-        // vapour concentration in bulk gas [kmol/m3] at bulk gas temperature
+        // vapour concentration in bulk gas [kmol/m3] at film temperature
-        const scalar Cinf = Xc[gid]*pc/(RR*Tc);
+        const scalar Cinf = Xc[gid]*pc/(RR*Ts);
 
         // molar flux of vapour [kmol/m2/s]
         const scalar Ni = max(kc*(Cs - Cinf), 0.0);

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

@@ -119,8 +119,7 @@ public:
             const scalar pc,
             const scalar Tc,
             const scalarField& X,
-            scalarField& dMassPC,
+            scalarField& dMassPC
-            const scalar rhoc
         ) const;
 
         //- Return the enthalpy per unit mass

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

@@ -142,8 +142,7 @@ void Foam::LiquidEvaporationBoil<CloudType>::calculate
     const scalar pc,
     const scalar Tc,
     const scalarField& X,
-    scalarField& dMassPC,
+    scalarField& dMassPC
-    const scalar rhoc
 ) const
 {
     // immediately evaporate mass that has reached critical condition

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

@@ -129,8 +129,7 @@ public:
             const scalar pc,
             const scalar Tc,
             const scalarField& X,
-            scalarField& dMassPC,
+            scalarField& dMassPC
-            const scalar rhoc
         ) const;
 
         //- Return the enthalpy per unit mass

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

@@ -1,287 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2011-2016 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 "LiquidEvaporationConvDiff.H"
-#include "specie.H"
-#include "mathematicalConstants.H"
-
-using namespace Foam::constant::mathematical;
-
-// * * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * //
-
-template<class CloudType>
-Foam::tmp<Foam::scalarField> Foam::LiquidEvaporationConvDiff<CloudType>::calcXc
-(
-    const label celli
-) const
-{
-    scalarField Xc(this->owner().thermo().carrier().Y().size());
-
-    forAll(Xc, i)
-    {
-        Xc[i] =
-            this->owner().thermo().carrier().Y()[i][celli]
-           /this->owner().thermo().carrier().W(i);
-    }
-
-    return Xc/sum(Xc);
-}
-
-
-template<class CloudType>
-Foam::scalar Foam::LiquidEvaporationConvDiff<CloudType>::Sh
-(
-    const scalar Re,
-    const scalar Sc
-) const
-{
-    return 2.0 + 0.6*Foam::sqrt(Re)*cbrt(Sc);
-}
-
-
-// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
-
-template<class CloudType>
-Foam::LiquidEvaporationConvDiff<CloudType>::LiquidEvaporationConvDiff
-(
-    const dictionary& dict,
-    CloudType& owner
-)
-:
-    PhaseChangeModel<CloudType>(dict, owner, typeName),
-    liquids_(owner.thermo().liquids()),
-    activeLiquids_(this->coeffDict().lookup("activeLiquids")),
-    liqToCarrierMap_(activeLiquids_.size(), -1),
-    liqToLiqMap_(activeLiquids_.size(), -1)
-{
-    if (activeLiquids_.size() == 0)
-    {
-        WarningInFunction
-            << "Evaporation model selected, but no active liquids defined"
-            << nl << endl;
-    }
-    else
-    {
-        Info<< "Participating liquid species:" << endl;
-
-        // Determine mapping between liquid and carrier phase species
-        forAll(activeLiquids_, i)
-        {
-            Info<< "    " << activeLiquids_[i] << endl;
-            liqToCarrierMap_[i] =
-                owner.composition().carrierId(activeLiquids_[i]);
-        }
-
-        // Determine mapping between model active liquids and global liquids
-        const label idLiquid = owner.composition().idLiquid();
-        forAll(activeLiquids_, i)
-        {
-            liqToLiqMap_[i] =
-                owner.composition().localId(idLiquid, activeLiquids_[i]);
-        }
-    }
-}
-
-
-template<class CloudType>
-Foam::LiquidEvaporationConvDiff<CloudType>::LiquidEvaporationConvDiff
-(
-    const LiquidEvaporationConvDiff<CloudType>& pcm
-)
-:
-    PhaseChangeModel<CloudType>(pcm),
-    liquids_(pcm.owner().thermo().liquids()),
-    activeLiquids_(pcm.activeLiquids_),
-    liqToCarrierMap_(pcm.liqToCarrierMap_),
-    liqToLiqMap_(pcm.liqToLiqMap_)
-{}
-
-
-// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
-
-template<class CloudType>
-Foam::LiquidEvaporationConvDiff<CloudType>::~LiquidEvaporationConvDiff()
-{}
-
-
-// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
-
-template<class CloudType>
-void Foam::LiquidEvaporationConvDiff<CloudType>::calculate
-(
-    const scalar dt,
-    const label celli,
-    const scalar Re,
-    const scalar Pr,
-    const scalar d,
-    const scalar nu,
-    const scalar T,
-    const scalar Ts,
-    const scalar pc,
-    const scalar Tc,
-    const scalarField& X,
-    scalarField& dMassPC, 
-    const scalar rhoc     //POSECH
-) const
-{
-    // immediately evaporate mass that has reached critical condition
-    if ((liquids_.Tc(X) - T) < SMALL)
-    {
-        if (debug)
-        {
-            WarningInFunction
-                << "Parcel reached critical conditions: "
-                << "evaporating all avaliable mass" << endl;
-        }
-
-        forAll(activeLiquids_, i)
-        {
-            const label lid = liqToLiqMap_[i];
-            dMassPC[lid] = GREAT;
-        }
-
-        return;
-    }
-
-    // construct carrier phase species volume fractions for cell, celli
-    const scalarField Xc(calcXc(celli));
-
-    // calculate mass transfer of each specie in liquid
-    forAll(activeLiquids_, i)
-    {
-        const label gid = liqToCarrierMap_[i];
-        const label lid = liqToLiqMap_[i];
-
-        // vapour diffusivity [m2/s]
-        const scalar Dab = liquids_.properties()[lid].D(pc, Ts);
-
-        // saturation pressure for species i [pa]
-        // - carrier phase pressure assumed equal to the liquid vapour pressure
-        //   close to the surface
-        // NOTE: if pSat > pc then particle is superheated
-        // calculated evaporation rate will be greater than that of a particle
-        // at boiling point, but this is not a boiling model
-        const scalar pSat = liquids_.properties()[lid].pv(pc, T);
-
-        // Schmidt number
-        const scalar Sc = nu/(Dab + ROOTVSMALL);
-
-        // Sherwood number
-        const scalar Sh = this->Sh(Re, Sc);
-
-        // mass transfer coefficient [m/s]
-        const scalar kc = Sh*Dab/(d + ROOTVSMALL);
-
-        // vapour concentration at surface [kmol/m3] at film temperature
-        const scalar Cs = pSat/(RR*Ts);
-
-        // vapour concentration in bulk gas [kmol/m3] at bulk gas temperature
-        const scalar Cinf = Xc[gid]*pc/(RR*Tc);
-
-        // molar flux of vapour [kmol/m2/s]
-        const scalar Ni = max(kc*(Cs - Cinf), 0.0);
-
-        // droplet surface pressure assumed to surface vapour pressure
-        const scalar ps = liquids_.pv(pc, Ts, X);
-
-        // vapour density at droplet surface [kg/m3]
-        const scalar rhos = ps*liquids_.W(X)/(RR*Ts);
-
-        // vapour mass fraction at surface
-        const scalar Ys = min((Cs*liquids_.W(X)/rhos),0.9);
-
-        // vapour mass fraction in bulk gas
-        const scalar Yinf = Cinf*liquids_.W(X)/rhos;
-
-        // Spalding mass number
-        const scalar Bm = max(((Ys - Yinf)/(1.0 - Ys)),0.0);
-
-        // mass transfer [kg]
-        dMassPC[lid] += kc*pi*sqr(d)*rhoc*log(1+Bm)*dt;
-
-    }
-}
-
-
-template<class CloudType>
-Foam::scalar Foam::LiquidEvaporationConvDiff<CloudType>::dh
-(
-    const label idc,
-    const label idl,
-    const scalar p,
-    const scalar T
-) const
-{
-    scalar dh = 0;
-
-    typedef PhaseChangeModel<CloudType> parent;
-    switch (parent::enthalpyTransfer_)
-    {
-        case (parent::etLatentHeat):
-        {
-            dh = liquids_.properties()[idl].hl(p, T);
-            break;
-        }
-        case (parent::etEnthalpyDifference):
-        {
-            scalar hc = this->owner().composition().carrier().Ha(idc, p, T);
-            scalar hp = liquids_.properties()[idl].h(p, T);
-
-            dh = hc - hp;
-            break;
-        }
-        default:
-        {
-            FatalErrorInFunction
-                << "Unknown enthalpyTransfer type" << abort(FatalError);
-        }
-    }
-
-    return dh;
-}
-
-
-template<class CloudType>
-Foam::scalar Foam::LiquidEvaporationConvDiff<CloudType>::Tvap
-(
-    const scalarField& X
-) const
-{
-    return liquids_.Tpt(X);
-}
-
-
-template<class CloudType>
-Foam::scalar Foam::LiquidEvaporationConvDiff<CloudType>::TMax
-(
-    const scalar p,
-    const scalarField& X
-) const
-{
-    return liquids_.pvInvert(p, X);
-}
-
-
-// ************************************************************************* //

src/lagrangian/intermediate/submodels/Reacting/PhaseChangeModel/LiquidEvaporationConvDiff/LiquidEvaporationConvDiff.H

@@ -1,157 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2011-2016 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::LiquidEvaporationConvDiff
-
-Description
-    Liquid evaporation model
-    - uses ideal gas assumption
-
-\*---------------------------------------------------------------------------*/
-
-#ifndef LiquidEvaporationConvDiff_H
-#define LiquidEvaporationConvDiff_H
-
-#include "PhaseChangeModel.H"
-#include "liquidMixtureProperties.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-/*---------------------------------------------------------------------------*\
-                     Class LiquidEvaporationConvDiff Declaration
-\*---------------------------------------------------------------------------*/
-
-template<class CloudType>
-class LiquidEvaporationConvDiff
-:
-    public PhaseChangeModel<CloudType>
-{
-protected:
-
-    // Protected data
-
-        //- Global liquid properties data
-        const liquidMixtureProperties& liquids_;
-
-        //- List of active liquid names
-        List<word> activeLiquids_;
-
-        //- Mapping between liquid and carrier species
-        List<label> liqToCarrierMap_;
-
-        //- Mapping between local and global liquid species
-        List<label> liqToLiqMap_;
-
-
-    // Protected Member Functions
-
-        //- Sherwood number as a function of Reynolds and Schmidt numbers
-        scalar Sh(const scalar Re, const scalar Sc) const;
-
-        //- Calculate the carrier phase component volume fractions at celli
-        tmp<scalarField> calcXc(const label celli) const;
-
-
-public:
-
-    //- Runtime type information
-    TypeName("liquidEvaporationConvDiff");
-
-
-    // Constructors
-
-        //- Construct from dictionary
-        LiquidEvaporationConvDiff(const dictionary& dict, CloudType& cloud);
-
-        //- Construct copy
-        LiquidEvaporationConvDiff(const LiquidEvaporationConvDiff<CloudType>& pcm);
-
-        //- Construct and return a clone
-        virtual autoPtr<PhaseChangeModel<CloudType>> clone() const
-        {
-            return autoPtr<PhaseChangeModel<CloudType>>
-            (
-                new LiquidEvaporationConvDiff<CloudType>(*this)
-            );
-        }
-
-
-    //- Destructor
-    virtual ~LiquidEvaporationConvDiff();
-
-
-    // Member Functions
-
-        //- Update model
-        virtual void calculate
-        (
-            const scalar dt,
-            const label celli,
-            const scalar Re,
-            const scalar Pr,
-            const scalar d,
-            const scalar nu,
-            const scalar T,
-            const scalar Ts,
-            const scalar pc,
-            const scalar Tc,
-            const scalarField& X,
-            scalarField& dMassPC,
-            const scalar rhoc
-        ) const;
-
-        //- Return the enthalpy per unit mass
-        virtual scalar dh
-        (
-            const label idc,
-            const label idl,
-            const scalar p,
-            const scalar T
-        ) const;
-
-        //- Return vapourisation temperature
-        virtual scalar Tvap(const scalarField& X) const;
-
-        //- Return maximum/limiting temperature
-        virtual scalar TMax(const scalar p, const scalarField& X) const;
-};
-
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace Foam
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#ifdef NoRepository
-    #include "LiquidEvaporationConvDiff.C"
-#endif
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#endif
-
-// ************************************************************************* //

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

@@ -78,8 +78,7 @@ void Foam::NoPhaseChange<CloudType>::calculate
     const scalar pc,
     const scalar Tc,
     const scalarField& X,
-    scalarField& dMassPC,
+    scalarField& dMassPC
-    const scalar rhoc
 ) const
 {
     // Nothing to do...

src/lagrangian/intermediate/submodels/Reacting/PhaseChangeModel/NoPhaseChange/NoPhaseChange.H

@@ -94,8 +94,7 @@ public:
             const scalar pc,
             const scalar Tc,
             const scalarField& X,
-            scalarField& dMassPC,
+            scalarField& dMassPC
-            const scalar rhoc
         ) const;
 };
 

src/lagrangian/intermediate/submodels/Reacting/PhaseChangeModel/PhaseChangeModel/PhaseChangeModel.H

@@ -166,8 +166,7 @@ public:
             const scalar pc,
             const scalar Tc,
             const scalarField& X,
-            scalarField& dMassPC,
+            scalarField& dMassPC
-            const scalar rhoc
         ) const = 0;
 
         //- Return the enthalpy per unit mass

src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinLexer.L

@@ -148,7 +148,7 @@ irreversibleReactionDelimiter {space}"=>"{space}
 startPDependentSpecie {space}"("{space}"+"{space}
 pDependentSpecie      {specieName}")"{space}
 reactionCoeffs        {space}{floatNum}{some_space}{floatNum}{some_space}{floatNum}{space}
-reactionKeyword       {space}[A-Za-z](([A-Za-z0-9)*-])|("("[^+]))*((\+({some_space}))?){space}
+reactionKeyword       {space}[A-Za-z](([A-Za-z0-9)*-])|("("[^+]))*{space}
 reactionKeywordSlash  {reactionKeyword}"/"{space}
 thirdBodyEfficiency   {space}{floatNum}{space}"/"{space}
 startReactionCoeffs   {space}"/"{space}
@@ -637,8 +637,7 @@ bool finishReaction = false;
                     (
                         currentSpecieName,
                         1.0,
-                        molecularWeight(currentSpecieComposition),
+                        molecularWeight(currentSpecieComposition)
-                        chargeNumber(currentSpecieComposition)
                     ),
                     currentLowT,
                     currentHighT,

src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinReader.C

@@ -144,28 +144,6 @@ Foam::scalar Foam::chemkinReader::molecularWeight
 }
 
 
-Foam::scalar Foam::chemkinReader::chargeNumber
-(
-    const List<specieElement>& specieComposition
-) const
-{
-    scalar nElemCharges = 0.0;
-
-    forAll(specieComposition, i)
-    {
-        label nAtoms = specieComposition[i].nAtoms;
-        const word& elementName = specieComposition[i].elementName;
-
-        if (elementName[0] == 'e')
-        {
-            nElemCharges -= nAtoms;
-        }
-    }
-
-    return nElemCharges;
-}
-
-
 void Foam::chemkinReader::checkCoeffs
 (
     const scalarList& reactionCoeffs,

src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinReader.H

@@ -254,11 +254,6 @@ private:
             const List<specieElement>& specieComposition
         ) const;
 
-        scalar chargeNumber
-        (
-            const List<specieElement>& specieComposition
-        ) const;
-
         void finishElements(labelList& currentAtoms);
 
         void checkCoeffs

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

@@ -68,70 +68,6 @@ Foam::scalar Foam::SpecieMixture<MixtureType>::W
 }
 
 
-template<class MixtureType>
-Foam::scalar Foam::SpecieMixture<MixtureType>::z
-(
-    const label speciei
-) const
-{
-    return this->getLocalThermo(speciei).z();
-}
-
-
-template<class MixtureType>
-Foam::scalar Foam::SpecieMixture<MixtureType>::Qc
-(
-    const label speciei
-) const
-{
-    return this->getLocalThermo(speciei).Qc();
-}
-
-
-template<class MixtureType>
-Foam::scalar Foam::SpecieMixture<MixtureType>::Qc2
-(
-    const label speciei
-) const
-{
-    return this->getLocalThermo(speciei).Qc2();
-}
-
-
-template<class MixtureType>
-void Foam::SpecieMixture<MixtureType>::Cp
-(
-    scalarField& Cps,
-    const scalar p,
-    const scalar T
-) const
-{
-    forAll(this->species(), speciei)
-    {
-        Cps[speciei] = this->getLocalThermo(speciei).Cp(p, T);
-    }
-
-    return;
-}
-
-
-template<class MixtureType>
-void Foam::SpecieMixture<MixtureType>::Cv
-(
-    scalarField& Cvs,
-    const scalar p,
-    const scalar T
-) const
-{
-    forAll(this->species(), speciei)
-    {
-        Cvs[speciei] = this->getLocalThermo(speciei).Cv(p, T);
-    }
-
-    return;
-}
-
-
 template<class MixtureType>
 Foam::scalar Foam::SpecieMixture<MixtureType>::Cp
 (

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

@@ -81,34 +81,6 @@ public:
             //- Molecular weight of the given specie [kg/kmol]
             virtual scalar W(const label speciei) const;
 
-            //- Number of charges of the given specie []
-            virtual scalar z(const label speciei) const;
-
-            //- Specific charge of the given specie []
-            virtual scalar Qc(const label specieI) const;
-
-            //- Absolute specific charge of the given specie []
-            virtual scalar Qc2(const label specieI) const;
-
-
-        // All species thermo properties
-
-            //- Heat capacity at constant pressure [J/(kg K)]
-            virtual void Cp
-            (
-                scalarField& Cps,
-                const scalar p,
-                const scalar T
-            ) const;
-
-            //- Heat capacity at constant volume [J/(kg K)]
-            virtual void Cv
-            (
-                scalarField& Cvs,
-                const scalar p,
-                const scalar T
-            ) const;
-
 
         // Per specie thermo properties
 

src/thermophysicalModels/reactionThermo/mixtures/basicSpecieMixture/basicSpecieMixture.C

@@ -81,72 +81,4 @@ Foam::tmp<Foam::volScalarField> Foam::basicSpecieMixture::W() const
 }
 
 
-Foam::tmp<Foam::volScalarField> Foam::basicSpecieMixture::Qc() const
-{
-    const PtrList<volScalarField>& Y(basicMultiComponentMixture::Y());
-
-    tmp<volScalarField> tQc
-    (
-        new volScalarField
-        (
-            IOobject
-            (
-                IOobject::groupName("Qc", Y[0].group()),
-                Y[0].time().timeName(),
-                Y[0].mesh()
-            ),
-            Y[0].mesh(),
-            dimensionedScalar("zero", dimCurrent*dimTime/dimMass, 0)
-        )
-    );
-
-    volScalarField& Qc = tQc.ref();
-
-    dimensionedScalar Qci("Qci", dimCurrent*dimTime/dimMass, 0);
-
-    forAll(Y, i)
-    {
-        Qci.value() = this->Qc(i);
-        Qc += Y[i]*Qci;
-        // Qc += Y[i]*this->Qc(i);
-    }
-
-    return tQc;
-}
-
-
-Foam::tmp<Foam::volScalarField> Foam::basicSpecieMixture::Qc2() const
-{
-    const PtrList<volScalarField>& Y(basicMultiComponentMixture::Y());
-
-    tmp<volScalarField> tQc
-    (
-        new volScalarField
-        (
-            IOobject
-            (
-                IOobject::groupName("Qc2", Y[0].group()),
-                Y[0].time().timeName(),
-                Y[0].mesh()
-            ),
-            Y[0].mesh(),
-            dimensionedScalar("zero", sqr(dimCurrent*dimTime)/dimMass, 0)
-        )
-    );
-
-    volScalarField& Qc = tQc.ref();
-
-    dimensionedScalar Qc2i("Qc2i", sqr(dimCurrent*dimTime)/dimMass, 0);
-
-    forAll(Y, i)
-    {
-        Qc2i.value() = this->Qc2(i);
-        Qc += Y[i]*Qc2i;
-        //Qc += Y[i]*this->Qc2(i);
-    }
-
-    return tQc;
-}
-
-
 // ************************************************************************* //

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

@@ -88,43 +88,9 @@ public:
             //- Molecular weight of the given specie [kg/kmol]
             virtual scalar W(const label speciei) const = 0;
 
-            //- Number of charges of the given specie []
-            virtual scalar z(const label speciei) const = 0;
-
-            //- Specific charge of the given specie [C/kg]
-            virtual scalar Qc(const label speciei) const = 0;
-
-            //- Absolute specific charge of the given specie [C/kg]
-            virtual scalar Qc2(const label speciei) const = 0;
-
             //- Molecular weight of the mixture [kg/kmol]
             tmp<volScalarField> W() const;
 
-            //- Specific charge of the mixture [C/kg]
-            tmp<volScalarField> Qc() const;
-
-            //- Absolute specific charge of the mixture [C^2/kg]
-            tmp<volScalarField> Qc2() const;
-
-
-        // All species thermo properties
-
-            //- Heat capacity at constant pressure [J/(kg K)]
-            virtual void Cp
-            (
-                scalarField& Cps,
-                const scalar p,
-                const scalar T
-            ) const = 0;
-
-            //- Heat capacity at constant volume [J/(kg K)]
-            virtual void Cv
-            (
-                scalarField& Cvs,
-                const scalar p,
-                const scalar T
-            ) const = 0;
-
 
         // Per specie thermo properties
 

src/thermophysicalModels/specie/specie/specie.C

@@ -29,24 +29,6 @@ License
 
 /* * * * * * * * * * * * * * * public constants  * * * * * * * * * * * * * * */
 
-//- Universal gas constant (default in [J/(kmol K)])
-const Foam::scalar Foam::specie::RR = constant::physicoChemical::R.value()*1000;
-
-//- Standard pressure (default in [Pa])
-const Foam::scalar Foam::specie::Pstd = constant::standard::Pstd.value();
-
-//- Standard temperature (default in [K])
-const Foam::scalar Foam::specie::Tstd = constant::standard::Tstd.value();
-
-//- Elementary charge (default in [C])
-const Foam::scalar Foam::specie::e = constant::electromagnetic::e.value();
-
-//- Avogadro number (default in [1/mol])
-const Foam::scalar Foam::specie::NA = constant::physicoChemical::NA.value()*1000;
-
-//- Boltzmann constant (default in [J/K])
-const Foam::scalar Foam::specie::k = constant::physicoChemical::k.value();
-
 namespace Foam
 {
     defineTypeNameAndDebug(specie, 0);
@@ -59,8 +41,7 @@ Foam::specie::specie(Istream& is)
 :
     name_(is),
     nMoles_(readScalar(is)),
-    molWeight_(readScalar(is)),
+    molWeight_(readScalar(is))
-    nCharges_(readScalar(is))
 {
     is.check("specie::specie(Istream& is)");
 }
@@ -70,8 +51,7 @@ Foam::specie::specie(const dictionary& dict)
 :
     name_(dict.dictName()),
     nMoles_(readScalar(dict.subDict("specie").lookup("nMoles"))),
-    molWeight_(readScalar(dict.subDict("specie").lookup("molWeight"))),
+    molWeight_(readScalar(dict.subDict("specie").lookup("molWeight")))
-    nCharges_(dict.subDict("specie").lookupOrDefault("nCharges", 0.0))
 {}
 
 
@@ -82,7 +62,6 @@ void Foam::specie::write(Ostream& os) const
     dictionary dict("specie");
     dict.add("nMoles", nMoles_);
     dict.add("molWeight", molWeight_);
-    dict.add("nCharges", nCharges_);
     os  << indent << dict.dictName() << dict;
 }
 
@@ -93,8 +72,7 @@ Foam::Ostream& Foam::operator<<(Ostream& os, const specie& st)
 {
     os  << st.name_ << tab
         << st.nMoles_ << tab
-        << st.molWeight_ << tab
+        << st.molWeight_;
-        << st.nCharges_;
 
     os.check("Ostream& operator<<(Ostream& os, const specie& st)");
     return os;

src/thermophysicalModels/specie/specie/specie.H

@@ -77,9 +77,6 @@ class specie
         //- Molecular weight of specie [kg/kmol]
         scalar molWeight_;
 
-        //- Number of elementary charges of specie
-        scalar nCharges_;
-
 
 public:
 
@@ -87,29 +84,6 @@ public:
     ClassName("specie");
 
 
-    // Public constants
-
-        // Thermodynamic constants
-
-            //- Universal gas constant [J/(kmol K)]
-            static const scalar RR;
-
-            //- Standard pressure [Pa]
-            static const scalar Pstd;
-
-            //- Standard temperature [K]
-            static const scalar Tstd;
-
-            //- Elementary charge [C]
-            static const scalar e;
-
-            //- Avogadro number [1/kmol]
-            static const scalar NA;
-
-            //- Boltzmann constant [J/K]
-            static const scalar k;
-
-
     // Constructors
 
 
@@ -124,23 +98,6 @@ public:
             const scalar molWeight
         );
 
-        //- Construct from components without name
-        inline specie
-        (
-            const scalar nMoles,
-            const scalar molWeight,
-            const scalar nCharges
-        );
-
-        //- Construct from components with name
-        inline specie
-        (
-            const word& name,
-            const scalar nMoles,
-            const scalar molWeight,
-            const scalar nCharges
-        );
-
         //- Construct as copy
         inline specie(const specie&);
 
@@ -170,27 +127,6 @@ public:
             //- Gas constant [J/(kg K)]
             inline scalar R() const;
 
-            //- Charge number
-            inline scalar z() const;
-
-
-        // Electric charge function
-
-
-            // Mole specific properties
-
-                //- Electric charge [C/kmol]
-                inline scalar qc() const;
-
-
-            // Mass specific properties
-
-                //- Electric charge [C/kg]
-                inline scalar Qc() const;
-
-                //- Electric charge squared [C^2/kg]
-                inline scalar Qc2() const;
-
 
         // I-O
 

src/thermophysicalModels/specie/specie/specieI.H

@@ -41,8 +41,7 @@ inline specie::specie
 :
     name_(name),
     nMoles_(nMoles),
-    molWeight_(molWeight),
+    molWeight_(molWeight)
-    nCharges_(0.0)
 {}
 
 
@@ -53,36 +52,7 @@ inline specie::specie
 )
 :
     nMoles_(nMoles),
-    molWeight_(molWeight),
+    molWeight_(molWeight)
-    nCharges_(0.0)
-{}
-
-
-inline specie::specie
-(
-    const word& name,
-    const scalar nMoles,
-    const scalar molWeight,
-    const scalar nCharges
-)
-:
-    name_(name),
-    nMoles_(nMoles),
-    molWeight_(molWeight),
-    nCharges_(nCharges)
-{}
-
-
-inline specie::specie
-(
-    const scalar nMoles,
-    const scalar molWeight,
-    const scalar nCharges
-)
-:
-    nMoles_(nMoles),
-    molWeight_(molWeight),
-    nCharges_(nCharges)
 {}
 
 
@@ -92,8 +62,7 @@ inline specie::specie(const specie& st)
 :
     name_(st.name_),
     nMoles_(st.nMoles_),
-    molWeight_(st.molWeight_),
+    molWeight_(st.molWeight_)
-    nCharges_(st.nCharges_)
 {}
 
 
@@ -101,8 +70,7 @@ inline specie::specie(const word& name, const specie& st)
 :
     name_(name),
     nMoles_(st.nMoles_),
-    molWeight_(st.molWeight_),
+    molWeight_(st.molWeight_)
-    nCharges_(st.nCharges_)
 {}
 
 
@@ -132,30 +100,6 @@ inline scalar specie::R() const
 }
 
 
-inline scalar specie::z() const
-{
-    return nCharges_;
-}
-
-
-inline scalar specie::qc() const
-{
-    return nCharges_ * NA * e;
-}
-
-
-inline scalar specie::Qc() const
-{
-    return nCharges_ * NA * e / molWeight_;
-}
-
-
-inline scalar specie::Qc2() const
-{
-    return nCharges_ * nCharges_ * NA * e * e / molWeight_;
-}
-
-
 // * * * * * * * * * * * * * * * Member Operators  * * * * * * * * * * * * * //
 
 inline void specie::operator=(const specie& st)
@@ -163,7 +107,6 @@ inline void specie::operator=(const specie& st)
     //name_ = st.name_;
     nMoles_ = st.nMoles_;
     molWeight_ = st.molWeight_;
-    nCharges_ = st.nCharges_;
 }
 
 
@@ -171,10 +114,6 @@ inline void specie::operator+=(const specie& st)
 {
     scalar sumNmoles = max(nMoles_ + st.nMoles_, SMALL);
 
-    nCharges_ =
-        nMoles_/sumNmoles*nCharges_
-      + st.nMoles_/sumNmoles*st.nCharges_;
-
     molWeight_ =
         nMoles_/sumNmoles*molWeight_
       + st.nMoles_/sumNmoles*st.molWeight_;
@@ -191,10 +130,6 @@ inline void specie::operator-=(const specie& st)
         diffnMoles = SMALL;
     }
 
-    nCharges_ =
-        nMoles_/diffnMoles*nCharges_
-      - st.nMoles_/diffnMoles*st.nCharges_;
-
     molWeight_ =
         nMoles_/diffnMoles*molWeight_
       - st.nMoles_/diffnMoles*st.molWeight_;
@@ -219,9 +154,7 @@ inline specie operator+(const specie& st1, const specie& st2)
     (
         sumNmoles,
         st1.nMoles_/sumNmoles*st1.molWeight_
-      + st2.nMoles_/sumNmoles*st2.molWeight_,
+      + st2.nMoles_/sumNmoles*st2.molWeight_
-        st1.nMoles_/sumNmoles*st1.nCharges_
-      + st2.nMoles_/sumNmoles*st2.nCharges_
     );
 }
 
@@ -238,9 +171,7 @@ inline specie operator-(const specie& st1, const specie& st2)
     (
         diffNmoles,
         st1.nMoles_/diffNmoles*st1.molWeight_
-      - st2.nMoles_/diffNmoles*st2.molWeight_,
+      - st2.nMoles_/diffNmoles*st2.molWeight_
-        st1.nMoles_/diffNmoles*st1.nCharges_
-      - st2.nMoles_/diffNmoles*st2.nCharges_
     );
 }
 
@@ -250,8 +181,7 @@ inline specie operator*(const scalar s, const specie& st)
     return specie
     (
         s*st.nMoles_,
-        st.molWeight_,
+        st.molWeight_
-        st.nCharges_
     );
 }
 

src/thermophysicalModels/specie/thermo/thermo/thermo.H

@@ -336,7 +336,6 @@ public:
             ) const;
 
 
-
         // I-O
 
             //- Write to Ostream