From 46205ff37e74a479bd26786d63ab0008537ed047 Mon Sep 17 00:00:00 2001 From: ignis Date: Fri, 27 Apr 2018 02:38:30 +0900 Subject: [PATCH] class Neutral handling neutral species parameters --- Make/files | 1 + Make/options | 1 + diffusivityModel/Neutral/Neutral.C | 120 ++++++++++++ diffusivityModel/Neutral/Neutral.H | 174 ++++++++++++++++++ diffusivityModel/Neutral/NeutralI.H | 107 +++++++++++ .../diffusivityModel/diffusivityModel.C | 4 +- 6 files changed, 406 insertions(+), 1 deletion(-) create mode 100644 diffusivityModel/Neutral/Neutral.C create mode 100644 diffusivityModel/Neutral/Neutral.H create mode 100644 diffusivityModel/Neutral/NeutralI.H diff --git a/Make/files b/Make/files index 68423ef..43f1f5a 100644 --- a/Make/files +++ b/Make/files @@ -1,4 +1,5 @@ diffusivityModel/Particle/Particle.C +diffusivityModel/Neutral/Neutral.C diffusivityModel/diffusivityModel/diffusivityModel.C eReactingFoam.C diff --git a/Make/options b/Make/options index 37cb8d9..f223db6 100644 --- a/Make/options +++ b/Make/options @@ -1,5 +1,6 @@ EXE_INC = \ -IdiffusivityModel/Particle \ + -IdiffusivityModel/Neutral \ -IdiffusivityModel/diffusivityModel \ -I$(LIB_SRC)/finiteVolume/lnInclude \ -I$(LIB_SRC)/meshTools/lnInclude \ diff --git a/diffusivityModel/Neutral/Neutral.C b/diffusivityModel/Neutral/Neutral.C new file mode 100644 index 0000000..d0d927c --- /dev/null +++ b/diffusivityModel/Neutral/Neutral.C @@ -0,0 +1,120 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | OpenFOAM: The Open Source CFD Toolbox + \\ / O peration | + \\ / A nd | Copyright (C) 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 . + +\*---------------------------------------------------------------------------*/ + +#include "Neutral.H" + +#include "dictionary.H" +#include "scalarList.H" + +// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * // + +// const dataType Foam::Neutral::staticData(); + + +// * * * * * * * * * * * * * Static Member Functions * * * * * * * * * * * * // + + +// * * * * * * * * * * * * * Private Member Functions * * * * * * * * * * * // + + +// * * * * * * * * * * * * Protected Member Functions * * * * * * * * * * * // + + +// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // + +Foam::Neutral::Neutral(const dictionary& dict) +: + Particle(dict), + wellDepth_(dict.lookupOrDefault("wellDepth", 0.0)), + diameter_(dict.lookupOrDefault("diameter", 0.0)), + dipoleMoment_(dict.lookupOrDefault("dipoleMoment", 0.0)), + alpha_(dict.lookupOrDefault("dipolePolarizability", 0.0)), + alphaQ_(dict.lookupOrDefault("quadpolePolarizability", 0.0)), + C6_(dict.lookupOrDefault("dispersionCoef", 0.0)), + Zrot_(dict.lookupOrDefault("rotationalRelaxation", 0.0)) +{ + + const entry* entryPtr = dict.lookupEntryPtr("tranlib", false, true); + + if (entryPtr) + { + scalarList tranlib(entryPtr->stream()); + + wellDepth_ = tranlib[1]; + diameter_ = tranlib[2]; + dipoleMoment_ = tranlib[3]; + alpha_ = tranlib[4]; + // alphaQ_ = tranlib[0]; + // C6_ = tranlib[0]; + Zrot_ = tranlib[5]; + } + +} + + +// * * * * * * * * * * * * * * * * Destructor * * * * * * * * * * * * * * * // + +Foam::Neutral::~Neutral() +{} + + +// * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * * // + + +// * * * * * * * * * * * * * * Member Operators * * * * * * * * * * * * * * // + +void Foam::Neutral::operator=(const Neutral& rhs) +{ + // Check for assignment to self + if (this == &rhs) + { + FatalErrorInFunction + << "Attempted assignment to self" + << abort(FatalError); + } +} + +// * * * * * * * * * * * * * * Friend Functions * * * * * * * * * * * * * * // + + +// * * * * * * * * * * * * * * Friend Operators * * * * * * * * * * * * * * // + +Foam::Ostream& Foam::operator<<(Ostream& os, const Neutral& st) +{ + os << static_cast(st) << tab + << st.wellDepth_ << tab + << st.diameter_ << tab + << st.dipoleMoment_ << tab + << st.alpha_ << tab + << st.alphaQ_ << tab + << st.C6_ << tab + << st.Zrot_; + + os.check("Ostream& operator<<(Ostream& os, const specie& st)"); + return os; +} + + +// ************************************************************************* // diff --git a/diffusivityModel/Neutral/Neutral.H b/diffusivityModel/Neutral/Neutral.H new file mode 100644 index 0000000..4a438d8 --- /dev/null +++ b/diffusivityModel/Neutral/Neutral.H @@ -0,0 +1,174 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | OpenFOAM: The Open Source CFD Toolbox + \\ / O peration | + \\ / A nd | Copyright (C) 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 . + +Class + Foam::Neutral + +Description + +SourceFiles + NeutralI.H + Neutral.C + NeutralIO.C + +\*---------------------------------------------------------------------------*/ + +#ifndef Neutral_H +#define Neutral_H + +#include "Particle.H" + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +namespace Foam +{ + +// Forward declaration of classes +class Istream; +class Ostream; + +// Forward declaration of friend functions and operators +class Neutral; +Istream& operator>>(Istream&, Neutral&); +Ostream& operator<<(Ostream&, const Neutral&); + + +/*---------------------------------------------------------------------------*\ + Class Neutral Declaration +\*---------------------------------------------------------------------------*/ + +class Neutral +: + public Particle +{ + // Private data + + //- Lenard-Jones parameter - potential well depth + //- epsilon / kB [] + scalar wellDepth_; + + //- Lenard-Jones parameter - collision diameter [] + scalar diameter_; + + //- Dipole moment [] + scalar dipoleMoment_; + + //- Dipole polarizability [] + scalar alpha_; + + //- Quadrupole polarizability [] + scalar alphaQ_; + + //- Dispersion coefficient [] + scalar C6_; + + //- Rotational relaxation collision number [] + scalar Zrot_; + + + // Private Member Functions + + //- Disallow default bitwise copy construct + Neutral(const Neutral&); + + //- Disallow default bitwise assignment + void operator=(const Neutral&); + + +public: + + // Static data members + + //- Static data staticData + // static const dataType staticData; + + + // Constructors + + //- Construct from components + Neutral(const dictionary& dict); + + //- Construct from Istream + Neutral(Istream&); + + //- Construct as copy + // Neutral(const Neutral&); + + + //- Destructor + ~Neutral(); + + + // Member Functions + + // Access + inline scalar wellDepth() const; + + inline scalar diameter() const; + + inline scalar dipoleMoment() const; + + inline scalar alpha() const; + + inline scalar alphaQ() const; + + inline scalar C6() const; + + inline scalar Zrot() const; + + // Check + + // Edit + + // Write + + + // Member Operators + + // void operator=(const Neutral&); + + + // Friend Functions + + // Friend Operators + + // IOstream Operators + + friend Istream& operator>>(Istream&, Neutral&); + friend Ostream& operator<<(Ostream&, const Neutral&); +}; + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +} // End namespace Foam + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +#include "NeutralI.H" + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +#endif + +// ************************************************************************* // diff --git a/diffusivityModel/Neutral/NeutralI.H b/diffusivityModel/Neutral/NeutralI.H new file mode 100644 index 0000000..e47be06 --- /dev/null +++ b/diffusivityModel/Neutral/NeutralI.H @@ -0,0 +1,107 @@ +/*---------------------------------------------------------------------------*\ + ========= | + \\ / F ield | OpenFOAM: The Open Source CFD Toolbox + \\ / O peration | + \\ / A nd | Copyright (C) 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 . + +\*---------------------------------------------------------------------------*/ + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +// * * * * * * * * * * * * * Private Member Functions * * * * * * * * * * * // + + +// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // + + +// * * * * * * * * * * * * * * * * Destructor * * * * * * * * * * * * * * * // + + +// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * // + +inline Foam::scalar Foam::Neutral::wellDepth() + const +{ + return wellDepth_; +} + + +inline Foam::scalar Foam::Neutral::diameter() + const +{ + return diameter_; +} + + +inline Foam::scalar Foam::Neutral::dipoleMoment() + const +{ + return dipoleMoment_; +} + + +inline Foam::scalar Foam::Neutral::alpha() + const +{ + return alpha_; +} + + +inline Foam::scalar Foam::Neutral::alphaQ() + const +{ + return alphaQ_; +} + + +inline Foam::scalar Foam::Neutral::C6() + const +{ + return C6_; +} + + +inline Foam::scalar Foam::Neutral::Zrot() + const +{ + return Zrot_; +} + + + +// * * * * * * * * * * * * * * * Member Operators * * * * * * * * * * * * * // + + +// * * * * * * * * * * * * * * * Friend Functions * * * * * * * * * * * * * // + + +// * * * * * * * * * * * * * * * Friend Operators * * * * * * * * * * * * * // + + +// * * * * * * * * * * * * * * IOstream Operators * * * * * * * * * * * * * // + + +// * * * * * * * * * * * * * * * Ostream Operator * * * * * * * * * * * * * // + + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + + +// ************************************************************************* // diff --git a/diffusivityModel/diffusivityModel/diffusivityModel.C b/diffusivityModel/diffusivityModel/diffusivityModel.C index a808785..b276449 100644 --- a/diffusivityModel/diffusivityModel/diffusivityModel.C +++ b/diffusivityModel/diffusivityModel/diffusivityModel.C @@ -30,6 +30,7 @@ License #include "volFieldsFwd.H" #include "scalarMatrices.H" #include "Particle.H" +#include "Neutral.H" // * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * // @@ -115,7 +116,8 @@ Foam::diffusivityModel::diffusivityModel(const psiReactionThermo& thermo) { readNeutrals = true; - // new Neutral (tranDict); + Neutral n(tranDict); + Info << n << endl; } } /*