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>
Public Attributes | |
| std::vector< vector_fp > | visccoeffs |
| temperature-fit of the viscosity More... | |
| std::vector< vector_fp > | condcoeffs |
| temperature-fits of the heat conduction More... | |
| std::vector< vector_fp > | diffcoeffs |
| 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_fp > | omega22_poly |
| This is vector of vectors containing the astar fit. More... | |
| std::vector< vector_fp > | astar_poly |
| This is vector of vectors containing the astar fit. More... | |
| std::vector< vector_fp > | bstar_poly |
| This is vector of vectors containing the astar fit. More... | |
| std::vector< vector_fp > | cstar_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... | |
 Public Attributes inherited from TransportParams | |
| size_t | nsp_ |
| Local storage of the number of species. More... | |
| thermo_t * | thermo |
| Pointer to the ThermoPhase object. 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... | |
| XML_Writer * | xml |
| Pointer to the xml tree describing the implementation of transport for this object. 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.
Definition at line 81 of file TransportParams.h.
Member Data Documentation
| std::vector<vector_fp> 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 93 of file TransportParams.h.
Referenced by TransportFactory::fitProperties(), GasTransport::initGas(), and PecosTransport::initGas().
| std::vector<vector_fp> 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 100 of file TransportParams.h.
Referenced by TransportFactory::fitProperties(), MixTransport::initGas(), and PecosTransport::initGas().
| std::vector<vector_fp> 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 107 of file TransportParams.h.
Referenced by TransportFactory::fitProperties(), GasTransport::initGas(), and PecosTransport::initGas().
| std::vector<std::vector<int> > 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 117 of file TransportParams.h.
Referenced by TransportFactory::fitCollisionIntegrals(), MultiTransport::initGas(), PecosTransport::initGas(), and TransportFactory::setupMM().
| std::vector<vector_fp> 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 127 of file TransportParams.h.
Referenced by TransportFactory::fitCollisionIntegrals(), and MultiTransport::initGas().
| std::vector<vector_fp> 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 137 of file TransportParams.h.
Referenced by TransportFactory::fitCollisionIntegrals(), and MultiTransport::initGas().
| std::vector<vector_fp> 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 147 of file TransportParams.h.
Referenced by TransportFactory::fitCollisionIntegrals(), and MultiTransport::initGas().
| std::vector<vector_fp> 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 157 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 164 of file TransportParams.h.
Referenced by TransportFactory::fitProperties(), TransportFactory::getTransportData(), MultiTransport::initGas(), MixTransport::initGas(), PecosTransport::initGas(), and TransportFactory::setupMM().
| 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 172 of file TransportParams.h.
Referenced by TransportFactory::fitProperties(), TransportFactory::getTransportData(), MultiTransport::initGas(), MixTransport::initGas(), PecosTransport::initGas(), and TransportFactory::setupMM().
| std::vector<bool> polar |
Vector of booleans indicating whether a species is a polar molecule.
Length is nsp
Definition at line 178 of file TransportParams.h.
Referenced by TransportFactory::getTransportData(), TransportFactory::makePolarCorrections(), and TransportFactory::setupMM().
| vector_fp alpha |
Polarizability of each species in the phase.
Length = nsp Units = m^3
Definition at line 185 of file TransportParams.h.
Referenced by TransportFactory::getTransportData(), MultiTransport::initGas(), MixTransport::initGas(), PecosTransport::initGas(), TransportFactory::makePolarCorrections(), and TransportFactory::setupMM().
| 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 194 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 201 of file TransportParams.h.
Referenced by TransportFactory::fitProperties(), TransportFactory::getBinDiffCorrection(), TransportFactory::getTransportData(), MultiTransport::initGas(), MixTransport::initGas(), PecosTransport::initGas(), TransportFactory::makePolarCorrections(), and TransportFactory::setupMM().
| 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 208 of file TransportParams.h.
Referenced by TransportFactory::fitProperties(), TransportFactory::getBinDiffCorrection(), TransportFactory::getTransportData(), MultiTransport::initGas(), MixTransport::initGas(), TransportFactory::makePolarCorrections(), and TransportFactory::setupMM().
| 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 218 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 227 of file TransportParams.h.
Referenced by TransportFactory::fitProperties(), PecosTransport::initGas(), and TransportFactory::setupMM().
| 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 236 of file TransportParams.h.
Referenced by TransportFactory::fitProperties(), MultiTransport::initGas(), PecosTransport::initGas(), and TransportFactory::setupMM().
| 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 248 of file TransportParams.h.
Referenced by TransportFactory::getTransportData(), MultiTransport::initGas(), MixTransport::initGas(), PecosTransport::initGas(), TransportFactory::makePolarCorrections(), and TransportFactory::setupMM().
| 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 257 of file TransportParams.h.
Referenced by TransportFactory::fitCollisionIntegrals(), TransportFactory::fitProperties(), TransportFactory::getBinDiffCorrection(), and TransportFactory::setupMM().
The documentation for this class was generated from the following files:
