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Particles now have their own gasHThermoPhysics object and diffusivityModel are fixed with gasHThermoPhysics Mixture

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This commit is contained in:
Yeongdo Park 2018-10-30 12:37:37 -04:00
parent c6dcfeb5d7
commit ddc0b20e9d
9 changed files with 72 additions and 51 deletions
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6
diffusivityModel/Electron/Electron.C
View file

@ -44,10 +44,10 @@ License
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // // * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
Foam::Electron::Electron(const dictionary& dict) Foam::Electron::Electron(const dictionary& thermoDict, const dictionary& tranDict)
: :
Particle(dict), Particle(thermoDict, tranDict),
fitDict_(dict.subDict("fitCoefs")), fitDict_(tranDict.subDict("fitCoefs")),
collisionTargets_(fitDict_.lookup("species")), collisionTargets_(fitDict_.lookup("species")),
DejFitCoefs_(collisionTargets_.size()) DejFitCoefs_(collisionTargets_.size())
{ {

2
diffusivityModel/Electron/Electron.H
View file

@ -95,7 +95,7 @@ public:
// Constructors // Constructors
//- Construct from components //- Construct from components
Electron(const dictionary& dict); Electron(const dictionary& thermoDict, const dictionary& tranDict);
//- Construct from Istream //- Construct from Istream
Electron(Istream&); Electron(Istream&);

16
diffusivityModel/Ion/Ion.C
View file

@ -44,16 +44,16 @@ License
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // // * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
Foam::Ion::Ion(const dictionary& dict) Foam::Ion::Ion(const dictionary& thermoDict, const dictionary& tranDict)
: :
Particle(dict), Particle(thermoDict, tranDict),
alpha_(dict.lookupOrDefault("dipolePolarizability", 0.0)), alpha_(tranDict.lookupOrDefault("dipolePolarizability", 0.0)),
C6_(0.0), C6_(0.0),
Zrot_(dict.lookupOrDefault("rotationalRelaxation", 0.0)), Zrot_(tranDict.lookupOrDefault("rotationalRelaxation", 0.0)),
n_(dict.lookupOrDefault("nStockmayer", 12)), n_(tranDict.lookupOrDefault("nStockmayer", 12)),
rctTarget_(dict.lookupOrDefault("rctTargets", hashedWordList())), rctTarget_(tranDict.lookupOrDefault("rctTargets", hashedWordList())),
Arct_(dict.lookupOrDefault("Arct", scalarList())), Arct_(tranDict.lookupOrDefault("Arct", scalarList())),
Brct_(dict.lookupOrDefault("Brct", scalarList())) Brct_(tranDict.lookupOrDefault("Brct", scalarList()))
{ {
if (z() > 0) if (z() > 0)
{ {

2
diffusivityModel/Ion/Ion.H
View file

@ -107,7 +107,7 @@ public:
// Constructors // Constructors
//- Construct from components //- Construct from components
Ion(const dictionary& dict); Ion(const dictionary& thermoDict, const dictionary& tranDict);
//- Construct from Istream //- Construct from Istream
Ion(Istream&); Ion(Istream&);

43
diffusivityModel/Neutral/Neutral.C
View file

@ -1,4 +1,5 @@
/*---------------------------------------------------------------------------*\ /*---------------------------------------------------------------------------*\
Particle(tranDict),
========= | ========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | \\ / O peration |
@ -44,19 +45,19 @@ License
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // // * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
Foam::Neutral::Neutral(const dictionary& dict) Foam::Neutral::Neutral(const dictionary& thermoDict, const dictionary& tranDict)
: :
Particle(dict), Particle(thermoDict, tranDict),
wellDepth_(dict.lookupOrDefault("wellDepth", 0.0)), wellDepth_(tranDict.lookupOrDefault("wellDepth", 0.0)),
diameter_(dict.lookupOrDefault("diameter", 0.0)), diameter_(tranDict.lookupOrDefault("diameter", 0.0)),
dipoleMoment_(dict.lookupOrDefault("dipoleMoment", 0.0)), dipoleMoment_(tranDict.lookupOrDefault("dipoleMoment", 0.0)),
alpha_(dict.lookupOrDefault("dipolePolarizability", 0.0)), alpha_(tranDict.lookupOrDefault("dipolePolarizability", 0.0)),
alphaQ_(0.0), alphaQ_(0.0),
C6_(dict.lookupOrDefault("dispersionCoef", 0.0)), C6_(tranDict.lookupOrDefault("dispersionCoef", 0.0)),
Zrot_(dict.lookupOrDefault("rotationalRelaxation", 0.0)) Zrot_(tranDict.lookupOrDefault("rotationalRelaxation", 0.0))
{ {
const entry* entryPtr = dict.lookupEntryPtr("tranlib", false, true); const entry* entryPtr = tranDict.lookupEntryPtr("tranlib", false, true);
if (entryPtr) if (entryPtr)
{ {
@ -68,21 +69,21 @@ Foam::Neutral::Neutral(const dictionary& dict)
alpha_ = tranlib[4]; alpha_ = tranlib[4];
Zrot_ = tranlib[5]; Zrot_ = tranlib[5];
dict.readIfPresent("wellDepth", wellDepth_); tranDict.readIfPresent("wellDepth", wellDepth_);
dict.readIfPresent("diameter", diameter_); tranDict.readIfPresent("diameter", diameter_);
dict.readIfPresent("dipoleMoment", dipoleMoment_); tranDict.readIfPresent("dipoleMoment", dipoleMoment_);
dict.readIfPresent("dipolePolarizability", alpha_); tranDict.readIfPresent("dipolePolarizability", alpha_);
dict.readIfPresent("dispersionCoef", C6_); tranDict.readIfPresent("dispersionCoef", C6_);
dict.readIfPresent("rotationalRelaxation", Zrot_); tranDict.readIfPresent("rotationalRelaxation", Zrot_);
} }
else else
{ {
wellDepth_ = readScalar(dict.lookup("wellDepth")); wellDepth_ = readScalar(tranDict.lookup("wellDepth"));
diameter_ = readScalar(dict.lookup("diameter")); diameter_ = readScalar(tranDict.lookup("diameter"));
dipoleMoment_ = readScalar(dict.lookup("dipoleMoment")); dipoleMoment_ = readScalar(tranDict.lookup("dipoleMoment"));
alpha_ = readScalar(dict.lookup("dipolePolarizability")); alpha_ = readScalar(tranDict.lookup("dipolePolarizability"));
C6_ = readScalar(dict.lookup("dispersionCoef")); C6_ = readScalar(tranDict.lookup("dispersionCoef"));
Zrot_ = readScalar(dict.lookup("rotationalRelaxation")); Zrot_ = readScalar(tranDict.lookup("rotationalRelaxation"));
} }
if (alpha_ > 0.0) if (alpha_ > 0.0)

2
diffusivityModel/Neutral/Neutral.H
View file

@ -106,7 +106,7 @@ public:
// Constructors // Constructors
//- Construct from components //- Construct from components
Neutral(const dictionary& dict); Neutral(const dictionary& thermoDict, const dictionary& tranDict);
//- Construct from Istream //- Construct from Istream
Neutral(Istream&); Neutral(Istream&);

13
diffusivityModel/Particle/Particle.C
View file

@ -70,15 +70,16 @@ const Foam::scalar Foam::Particle::eps0 = constant::electromagnetic::epsilon0.va
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // // * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
Foam::Particle::Particle(const dictionary& dict) Foam::Particle::Particle(const dictionary& thermoDict, const dictionary& tranDict)
: :
name_(dict["name"]), name_(tranDict["name"]),
W_(readScalar(dict["W"])), W_(readScalar(tranDict["W"])),
z_(readScalar(dict["z"])) z_(readScalar(tranDict["z"])),
thermo_(thermoDict)
{ {
label geometry = 0; label geometry = 0;
const entry* entryPtr = dict.lookupEntryPtr("tranlib", false, true); const entry* entryPtr = tranDict.lookupEntryPtr("tranlib", false, true);
if (entryPtr) if (entryPtr)
{ {
@ -87,7 +88,7 @@ Foam::Particle::Particle(const dictionary& dict)
} }
else else
{ {
geometry = readLabel(dict.lookup("geometry")); geometry = readLabel(tranDict.lookup("geometry"));
} }
switch(geometry) switch(geometry)

8
diffusivityModel/Particle/Particle.H
View file

@ -38,6 +38,7 @@ SourceFiles
#include "word.H" #include "word.H"
#include "scalar.H" #include "scalar.H"
#include "thermoPhysicsTypes.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@ -72,6 +73,8 @@ public:
NONLINEAR = 3 NONLINEAR = 3
}; };
//- The type of thermodynamics this mixture is instantiated for
typedef gasHThermoPhysics thermoType;
protected: protected:
@ -89,6 +92,9 @@ protected:
//- Geometry //- Geometry
Geometry geometry_; Geometry geometry_;
//- Thermophysics Object
thermoType thermo_;
// Private Member Functions // Private Member Functions
@ -131,7 +137,7 @@ public:
// Constructors // Constructors
//- Construct from components //- Construct from components
Particle(const dictionary& dict); Particle(const dictionary& thermoDict, const dictionary& tranDict);
//- Construct from Istream //- Construct from Istream
Particle(Istream&); Particle(Istream&);

31
diffusivityModel/diffusivityModel/diffusivityModel.C
View file

@ -29,6 +29,9 @@ License
#include "speciesTable.H" #include "speciesTable.H"
#include "volFieldsFwd.H" #include "volFieldsFwd.H"
#include "scalarMatrices.H" #include "scalarMatrices.H"
#include "multiComponentMixture.H"
#include "thermoPhysicsTypes.H"
#include "Particle.H" #include "Particle.H"
#include "Electron.H" #include "Electron.H"
#include "Neutral.H" #include "Neutral.H"
@ -323,8 +326,8 @@ Foam::diffusivityModel::diffusivityModel(const psiReactionThermo& thermo)
thermo_.composition().Y(0).mesh(), thermo_.composition().Y(0).mesh(),
dimensionedScalar("zero", dimForce/dimTime/dimTemperature, 0.0) dimensionedScalar("zero", dimForce/dimTime/dimTemperature, 0.0)
), ),
neutrals_(thermo_.composition().species().size()),
ions_(thermo_.composition().species().size()), ions_(thermo_.composition().species().size()),
neutrals_(thermo_.composition().species().size()),
ecs_(thermo_.composition().species().size()), ecs_(thermo_.composition().species().size()),
ens_(thermo_.composition().species().size()), ens_(thermo_.composition().species().size()),
nns_(thermo_.composition().species().size()*thermo_.composition().species().size()), nns_(thermo_.composition().species().size()*thermo_.composition().species().size()),
@ -332,6 +335,10 @@ Foam::diffusivityModel::diffusivityModel(const psiReactionThermo& thermo)
cns_(thermo_.composition().species().size()*thermo_.composition().species().size()) cns_(thermo_.composition().species().size()*thermo_.composition().species().size())
{ {
typedef multiComponentMixture<gasHThermoPhysics> gasMix;
const gasMix &mcm (dynamicCast<const gasMix>(thermo_));
const speciesTable &species_(thermo_.composition().species()); const speciesTable &species_(thermo_.composition().species());
const volScalarField::Mesh &mesh = thermo_.composition().Y(0).mesh(); const volScalarField::Mesh &mesh = thermo_.composition().Y(0).mesh();
@ -344,6 +351,14 @@ Foam::diffusivityModel::diffusivityModel(const psiReactionThermo& thermo)
)() )()
); );
dictionary thermos
(
IFstream
(
fileName(thermo_.lookup("foamChemistryThermoFile")).expand()
)()
);
Switch readIons = false; Switch readIons = false;
Switch readNeutrals = false; Switch readNeutrals = false;
@ -356,16 +371,14 @@ Foam::diffusivityModel::diffusivityModel(const psiReactionThermo& thermo)
const scalar Wi = thermo_.composition().W(i); const scalar Wi = thermo_.composition().W(i);
const label zi = thermo_.composition().z(i); const label zi = thermo_.composition().z(i);
dictionary thermoDict(thermos.subDict(species_[i]));
dictionary tranDict(transports.subDict(species_[i]).subDict("transport")); dictionary tranDict(transports.subDict(species_[i]).subDict("transport"));
tranDict.add("name", namei); tranDict.add("name", namei);
tranDict.add("W", Wi); tranDict.add("W", Wi);
tranDict.add("z", zi); tranDict.add("z", zi);
Particle p(tranDict); const Particle::thermoType &thermoData(mcm.speciesData()[i]);
// Info << namei << endl << tranDict << endl;
// Info << p << endl;
// Info << scalarList(tranDict["tranlib"]) << endl;
// Electron // Electron
if (species_[i] == "E-") if (species_[i] == "E-")
@ -377,7 +390,7 @@ Foam::diffusivityModel::diffusivityModel(const psiReactionThermo& thermo)
<< abort(FatalError); << abort(FatalError);
} }
electron_.set(new Electron (tranDict)); electron_.set(new Electron (thermoDict, tranDict));
} }
// Ions // Ions
else if (zi != 0) else if (zi != 0)
@ -391,7 +404,7 @@ Foam::diffusivityModel::diffusivityModel(const psiReactionThermo& thermo)
readIons = true; readIons = true;
ions_.set(nIon, new Ion(tranDict)); ions_.set(nIon, new Ion(thermoDict, tranDict));
nIon++; nIon++;
@ -402,7 +415,7 @@ Foam::diffusivityModel::diffusivityModel(const psiReactionThermo& thermo)
{ {
readNeutrals = true; readNeutrals = true;
neutrals_.set(nNeutral, new Neutral(tranDict)); neutrals_.set(nNeutral, new Neutral(thermoDict, tranDict));
nNeutral++; nNeutral++;
} }