Cantera  2.0
GasTransportParams Class Reference

This structure holds transport model parameters relevant to transport in ideal gases with a kinetic theory of gases derived transport model. More...

#include <TransportParams.h>

Inheritance diagram for GasTransportParams:
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## Public Member Functions

GasTransportParams ()
Constructor.

virtual ~GasTransportParams ()
Destructor.

## Public Attributes

std::vector< vector_fpvisccoeffs
temperature-fit of the viscosity

std::vector< vector_fpcondcoeffs
temperature-fits of the heat conduction

std::vector< vector_fpdiffcoeffs
temperature-fits of the diffusivity

std::vector< std::vector< int > > poly
This is vector of vectors containing the integer lookup value for the (i,j) interaction.

std::vector< vector_fpomega22_poly
This is vector of vectors containing the astar fit.

std::vector< vector_fpastar_poly
This is vector of vectors containing the astar fit.

std::vector< vector_fpbstar_poly
This is vector of vectors containing the astar fit.

std::vector< vector_fpcstar_poly
This is vector of vectors containing the astar fit.

vector_fp zrot
Rotational relaxation number for the species in the current phase.

vector_fp crot
Dimensionless rotational heat capacity of the species in the current phase.

std::vector< bool > polar
Vector of booleans indicating whether a species is a polar molecule.

vector_fp alpha
Polarizability of each species in the phase.

vector_fp fitlist
This is vector containing the values of delta(i,j) that are used in the collision integral fits.

vector_fp eps
Lennard-Jones well-depth of the species in the current phase.

vector_fp sigma
Lennard-Jones diameter of the species in the current phase.

DenseMatrix reducedMass
This is the reduced mass of the interaction between species i and j.

DenseMatrix diam
hard-sphere diameter for (i,j) collision

DenseMatrix epsilon
The effective well depth for (i,j) collisions.

DenseMatrix dipole
The effective dipole moment for (i,j) collisions.

DenseMatrix delta
Matrix containing the reduced dipole moment of the interaction between two species.

size_t nsp_
Local storage of the number of species.

thermo_tthermo
Pointer to the ThermoPhase object.

vector_fp mw
Local storage of the molecular weights of the species.

VelocityBasis velocityBasis_
A basis for the average velocity can be specified.

doublereal tmax
Maximum temperatures for parameter fits.

doublereal tmin
Minimum temperatures for parameter fits.

int mode_
Mode parameter.

XML_Writer * xml
Pointer to the xml tree describing the implementation of transport for this object.

int log_level
Log level.

## Detailed Description

This structure holds transport model parameters relevant to transport in ideal gases with a kinetic theory of gases derived transport model.

This structure is used by TransportFactory object.

Definition at line 93 of file TransportParams.h.

## Constructor & Destructor Documentation

 GasTransportParams ( )

Constructor.

Definition at line 47 of file TransportParams.cpp.

 ~GasTransportParams ( )
virtual

Destructor.

Definition at line 72 of file TransportParams.cpp.

## Member Data Documentation

 std::vector visccoeffs

temperature-fit of the viscosity

The outer loop the number of species, nsp The inner loop is over degree + 1, which is the polynomial order of the collision integral fit.

Definition at line 111 of file TransportParams.h.

Referenced by TransportFactory::fitProperties(), and GasTransport::initGas().

 std::vector condcoeffs

temperature-fits of the heat conduction

The outer loop the number of species, nsp The inner loop is over degree + 1, which is the polynomial order of the collision integral fit.

Definition at line 118 of file TransportParams.h.

Referenced by TransportFactory::fitProperties(), and MixTransport::initGas().

 std::vector diffcoeffs

temperature-fits of the diffusivity

The outer loop the number of species, nsp The inner loop is over degree + 1, which is the polynomial order of the collision integral fit.

Definition at line 125 of file TransportParams.h.

Referenced by TransportFactory::fitProperties(), and GasTransport::initGas().

 std::vector > poly

This is vector of vectors containing the integer lookup value for the (i,j) interaction.

The outer loop is over a flat (i,j) index that is parameterized on the tr.delta(i,j) value. Unique values of delta get their own spot in the array. The values of delta are stored in the fitlist vector.

The inner loop is over degree + 1, which is the polynomial order of the collision integral fit.

Definition at line 135 of file TransportParams.h.

 std::vector omega22_poly

This is vector of vectors containing the astar fit.

The outer loop is over a flat (i,j) index that is parameterized on the tr.delta(i,j) value. Unique values of delta get their own spot in the array. The values of delta are stored in the fitlist vector.

The inner loop is over degree + 1, which is the polynomial order of the collision integral fit.

Definition at line 145 of file TransportParams.h.

Referenced by TransportFactory::fitCollisionIntegrals(), and MultiTransport::initGas().

 std::vector astar_poly

This is vector of vectors containing the astar fit.

The outer loop is over a flat (i,j) index that is parameterized on the tr.delta(i,j) value. Unique values of delta get their own spot in the array. The values of delta are stored in the fitlist vector.

The inner loop is over degree + 1, which is the polynomial order of the collision integral fit.

Definition at line 155 of file TransportParams.h.

Referenced by TransportFactory::fitCollisionIntegrals(), and MultiTransport::initGas().

 std::vector bstar_poly

This is vector of vectors containing the astar fit.

The outer loop is over a flat (i,j) index that is parameterized on the tr.delta(i,j) value. Unique values of delta get their own spot in the array. The values of delta are stored in the fitlist vector.

The inner loop is over degree + 1, which is the polynomial order of the collision integral fit.

Definition at line 165 of file TransportParams.h.

Referenced by TransportFactory::fitCollisionIntegrals(), and MultiTransport::initGas().

 std::vector cstar_poly

This is vector of vectors containing the astar fit.

The outer loop is over a flat (i,j) index that is parameterized on the tr.delta(i,j) value. Unique values of delta get their own spot in the array. The values of delta are stored in the fitlist vector.

The inner loop is over degree + 1, which is the polynomial order of the collision integral fit.

Definition at line 175 of file TransportParams.h.

Referenced by TransportFactory::fitCollisionIntegrals(), and MultiTransport::initGas().

 vector_fp zrot

Rotational relaxation number for the species in the current phase.

length is the number of species in the phase units are dimensionless

Definition at line 182 of file TransportParams.h.

 vector_fp crot

Dimensionless rotational heat capacity of the species in the current phase.

These values are 0, 1 and 1.5 for single-molecule, linear, and nonlinear species respectively length is the number of species in the phase units are dimensionless (Cr / R)

Definition at line 190 of file TransportParams.h.

 std::vector polar

Vector of booleans indicating whether a species is a polar molecule.

Length is nsp

Definition at line 196 of file TransportParams.h.

 vector_fp alpha

Polarizability of each species in the phase.

Length = nsp Units = m^3

Definition at line 203 of file TransportParams.h.

 vector_fp fitlist

This is vector containing the values of delta(i,j) that are used in the collision integral fits.

This is used in astar_poly, bstar_poly, cstar_poly, and omega22_poly. The outer loop is over a flat (i,j) index that is parameterized on the tr.delta(i,j) value. Unique values of delta get their own spot in the array. The values of delta are stored in the fitlist vector.

Definition at line 213 of file TransportParams.h.

Referenced by TransportFactory::fitCollisionIntegrals().

 vector_fp eps

Lennard-Jones well-depth of the species in the current phase.

length is the number of species in the phase Units are Joules (Note this is not Joules/kmol) (note, no kmol -> this is a per molecule amount)

Definition at line 220 of file TransportParams.h.

 vector_fp sigma

Lennard-Jones diameter of the species in the current phase.

length is the number of species in the phase units are in meters.

Definition at line 227 of file TransportParams.h.

 DenseMatrix reducedMass

This is the reduced mass of the interaction between species i and j.

tr.reducedMass(i,j) = tr.mw[i] * tr.mw[j] / (Avogadro * (tr.mw[i] + tr.mw[j]));

Units are kg (note, no kmol -> this is a per molecule amount)

Length nsp * nsp. This is a symmetric matrix

Definition at line 237 of file TransportParams.h.

Referenced by TransportFactory::fitProperties(), and TransportFactory::setupMM().

 DenseMatrix diam

hard-sphere diameter for (i,j) collision

diam(i,j) = 0.5*(tr.sigma[i] + tr.sigma[j]); Units are m (note, no kmol -> this is a per molecule amount)

Length nsp * nsp. This is a symmetric matrix.

Definition at line 246 of file TransportParams.h.

 DenseMatrix epsilon

The effective well depth for (i,j) collisions.

epsilon(i,j) = sqrt(tr.eps[i]*tr.eps[j]); Units are Joules (note, no kmol -> this is a per molecule amount)

Length nsp * nsp. This is a symmetric matrix.

Definition at line 255 of file TransportParams.h.

 DenseMatrix dipole

The effective dipole moment for (i,j) collisions.

tr.dipoleMoment has units of Debye's. A Debye is 10-18 cm3/2 erg1/2

tr.dipole(i,i) = 1.e-25 * SqrtTen * trdat.dipoleMoment; tr.dipole(i,j) = sqrt(tr.dipole(i,i)*tr.dipole(j,j)); Units are in Debye (note, no kmol -> this is a per molecule amount)

Length nsp * nsp. This is a symmetric matrix.

Definition at line 267 of file TransportParams.h.

 DenseMatrix delta

Matrix containing the reduced dipole moment of the interaction between two species.

This is the reduced dipole moment of the interaction between two species 0.5 * tr.dipole(i,j)*tr.dipole(i,j) (epsilon(i,j) * d * d * d);

Length nsp * nsp .This is a symmetric matrix

Definition at line 276 of file TransportParams.h.

 size_t nsp_
inherited

Local storage of the number of species.

Definition at line 54 of file TransportParams.h.

 thermo_t* thermo
inherited
 vector_fp mw
inherited

Local storage of the molecular weights of the species.

Length is nsp_ and units are kg kmol-1.

Definition at line 63 of file TransportParams.h.

 VelocityBasis velocityBasis_
inherited

A basis for the average velocity can be specified.

Valid bases include "mole", "mass", and "species" names.

Definition at line 69 of file TransportParams.h.

 doublereal tmax
inherited

Maximum temperatures for parameter fits.

Definition at line 72 of file TransportParams.h.

 doublereal tmin
inherited

Minimum temperatures for parameter fits.

Definition at line 75 of file TransportParams.h.

 int mode_
inherited

Mode parameter.

Definition at line 78 of file TransportParams.h.

 XML_Writer* xml
inherited

Pointer to the xml tree describing the implementation of transport for this object.

Definition at line 81 of file TransportParams.h.

 int log_level
inherited

Log level.

Definition at line 84 of file TransportParams.h.

The documentation for this class was generated from the following files: