Cantera  2.2.1
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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Collaboration diagram for GasTransportParams:
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## Public Attributes

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

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

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

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

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

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

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

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

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

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

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

vector_fp alpha
Polarizability of each species in the phase. More...

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

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

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

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

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

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

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

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

vector_fp w_ac
Pitzer acentric factor. More...

Public Attributes inherited from TransportParams
size_t nsp_
Local storage of the number of species. More...

thermo_tthermo
Pointer to the ThermoPhase object: shallow pointer. More...

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

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

doublereal tmax
Maximum temperatures for parameter fits. More...

doublereal tmin
Minimum temperatures for parameter fits. More...

int mode_
Mode parameter. More...

int log_level
Log level. More...

## 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.

Deprecated:
Unused. Mostly merged into class GasTransport. This class will be removed after Cantera 2.2.

Definition at line 64 of file TransportParams.h.

## 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 76 of file TransportParams.h.

Referenced by PecosTransport::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 83 of file TransportParams.h.

Referenced by PecosTransport::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 90 of file TransportParams.h.

Referenced by PecosTransport::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 100 of file TransportParams.h.

Referenced by PecosTransport::initGas().

 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 110 of file TransportParams.h.

 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 120 of file TransportParams.h.

 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 130 of file TransportParams.h.

 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 140 of file TransportParams.h.

 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 147 of file TransportParams.h.

Referenced by PecosTransport::initGas().

 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 155 of file TransportParams.h.

Referenced by PecosTransport::initGas().

 std::vector polar

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

Length is nsp

Definition at line 161 of file TransportParams.h.

 vector_fp alpha

Polarizability of each species in the phase.

Length = nsp Units = m^3

Definition at line 168 of file TransportParams.h.

Referenced by PecosTransport::initGas().

 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 177 of file TransportParams.h.

 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 184 of file TransportParams.h.

Referenced by PecosTransport::initGas().

 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 191 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 201 of file TransportParams.h.

 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 210 of file TransportParams.h.

Referenced by PecosTransport::initGas().

 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 219 of file TransportParams.h.

Referenced by PecosTransport::initGas().

 DenseMatrix dipole

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

dipoleMoment has units of Debye. A Debye is 3.335e-30 C-m

tr.dipole(i,i) = 1.e-21 / lightSpeed * dipoleMoment; tr.dipole(i,j) = sqrt(tr.dipole(i,i)*tr.dipole(j,j)); (note, no kmol -> this is a per molecule amount)

Length nsp * nsp. This is a symmetric matrix.

Definition at line 231 of file TransportParams.h.

Referenced by PecosTransport::initGas().

 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)^2 / (4 * Pi * epsilon_0 * epsilon(i,j) * d^3);

Length nsp * nsp .This is a symmetric matrix

Definition at line 240 of file TransportParams.h.

 vector_fp w_ac

Pitzer acentric factor.

Length is the number of species in the phase. Unitless

Definition at line 247 of file TransportParams.h.

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