Class GasTransport implements some functions and properties that are shared by the MixTransport and MultiTransport classes. More...

#include <GasTransport.h>

Inheritance diagram for GasTransport:

[legend]

Collaboration diagram for GasTransport:

[legend]

Public Member Functions
	GasTransport (const GasTransport &right)

GasTransport &	operator= (const GasTransport &right)

virtual doublereal	viscosity ()
	Viscosity of the mixture (kg /m /s) More...

virtual void	getSpeciesViscosities (doublereal *const visc)
	Get the pure-species viscosities. More...

virtual void	getBinaryDiffCoeffs (const size_t ld, doublereal *const d)
	Returns the matrix of binary diffusion coefficients. More...

virtual void	getMixDiffCoeffs (doublereal *const d)
	Returns the Mixture-averaged diffusion coefficients [m^2/s]. More...

virtual void	getMixDiffCoeffsMole (doublereal *const d)
	Returns the mixture-averaged diffusion coefficients [m^2/s]. More...

virtual void	getMixDiffCoeffsMass (doublereal *const d)
	Returns the mixture-averaged diffusion coefficients [m^2/s]. More...

virtual void	init (thermo_t *thermo, int mode=0, int log_level=0)
	Initialize a transport manager. More...

Public Member Functions inherited from Transport
	Transport (thermo_t *thermo=0, size_t ndim=1)
	Constructor. More...

	Transport (const Transport &right)

Transport &	operator= (const Transport &right)

virtual Transport *	duplMyselfAsTransport () const
	Duplication routine for objects which inherit from Transport. More...

virtual int	model () const
	Transport model. More...

thermo_t &	thermo ()

bool	ready ()

void	setNDim (const int ndim)
	Set the number of dimensions to be expected in flux expressions. More...

size_t	nDim () const
	Return the number of dimensions in flux expressions. More...

void	checkSpeciesIndex (size_t k) const
	Check that the specified species index is in range Throws an exception if k is greater than nSpecies() More...

void	checkSpeciesArraySize (size_t kk) const
	Check that an array size is at least nSpecies() Throws an exception if kk is less than nSpecies(). More...

virtual doublereal	getElectricConduct ()
	Compute the mixture electrical conductivity (S m-1) at the current conditions of the phase (Siemens m-1) More...

virtual void	getElectricCurrent (int ndim, const doublereal grad_T, int ldx, const doublereal grad_X, int ldf, const doublereal grad_V, doublereal current)
	Compute the electric current density in A/m^2. More...

virtual void	getSpeciesFluxes (size_t ndim, const doublereal const grad_T, size_t ldx, const doublereal const grad_X, size_t ldf, doublereal *const fluxes)
	Get the species diffusive mass fluxes wrt to the specified solution averaged velocity, given the gradients in mole fraction and temperature. More...

virtual void	getSpeciesFluxesES (size_t ndim, const doublereal grad_T, size_t ldx, const doublereal grad_X, size_t ldf, const doublereal grad_Phi, doublereal fluxes)
	Get the species diffusive mass fluxes wrt to the mass averaged velocity, given the gradients in mole fraction, temperature and electrostatic potential. More...

virtual void	getSpeciesVdiff (size_t ndim, const doublereal grad_T, int ldx, const doublereal grad_X, int ldf, doublereal *Vdiff)
	Get the species diffusive velocities wrt to the mass averaged velocity, given the gradients in mole fraction and temperature. More...

virtual void	getSpeciesVdiffES (size_t ndim, const doublereal grad_T, int ldx, const doublereal grad_X, int ldf, const doublereal grad_Phi, doublereal Vdiff)
	Get the species diffusive velocities wrt to the mass averaged velocity, given the gradients in mole fraction, temperature, and electrostatic potential. More...

virtual void	getMolarFluxes (const doublereal const state1, const doublereal const state2, const doublereal delta, doublereal *const cfluxes)
	Get the molar fluxes [kmol/m^2/s], given the thermodynamic state at two nearby points. More...

virtual void	getMassFluxes (const doublereal state1, const doublereal state2, doublereal delta, doublereal *mfluxes)
	Get the mass fluxes [kg/m^2/s], given the thermodynamic state at two nearby points. More...

virtual void	getThermalDiffCoeffs (doublereal *const dt)
	Return a vector of Thermal diffusion coefficients [kg/m/sec]. More...

virtual void	getMultiDiffCoeffs (const size_t ld, doublereal *const d)
	Return the Multicomponent diffusion coefficients. Units: [m^2/s]. More...

virtual void	setParameters (const int type, const int k, const doublereal *const p)
	Set model parameters for derived classes. More...

void	setVelocityBasis (VelocityBasis ivb)
	Sets the velocity basis. More...

VelocityBasis	getVelocityBasis () const
	Gets the velocity basis. More...

virtual doublereal	bulkViscosity ()
	The bulk viscosity in Pa-s. More...

virtual doublereal	ionConductivity ()
	The ionic conductivity in 1/ohm/m. More...

virtual void	getSpeciesIonConductivity (doublereal *const ionCond)
	Returns the pure species ionic conductivity. More...

virtual void	mobilityRatio (double *mobRat)
	Returns the pointer to the mobility ratios of the species in the phase. More...

virtual void	getSpeciesMobilityRatio (double **mobRat)
	Returns the pure species limit of the mobility ratios. More...

virtual void	selfDiffusion (doublereal *const selfDiff)
	Returns the self diffusion coefficients of the species in the phase. More...

virtual void	getSpeciesSelfDiffusion (double **selfDiff)
	Returns the pure species self diffusion in solution of each species. More...

virtual doublereal	thermalConductivity ()
	Returns the mixture thermal conductivity in W/m/K. More...

virtual doublereal	electricalConductivity ()

virtual void	getMobilities (doublereal *const mobil_e)
	Get the Electrical mobilities (m^2/V/s). More...

virtual void	getFluidMobilities (doublereal *const mobil_f)
	Get the fluid mobilities (s kmol/kg). More...

virtual bool	initLiquid (LiquidTransportParams &tr)
	Called by TransportFactory to set parameters. More...

virtual bool	initSolid (SolidTransportData &tr)
	Called by TransportFactory to set parameters. More...

virtual void	setThermo (thermo_t &thermo)
	Specifies the ThermoPhase object. More...

Protected Member Functions
	GasTransport (ThermoPhase *thermo=0)

virtual void	update_T ()

virtual void	update_C ()=0

virtual void	updateViscosity_T ()
	Update the temperature-dependent viscosity terms. More...

virtual void	updateSpeciesViscosities ()
	Update the pure-species viscosities. More...

virtual void	updateDiff_T ()
	Update the binary diffusion coefficients. More...

Initialization
void	setupMM ()
	Prepare to build a new kinetic-theory-based transport manager for low-density gases. More...

void	getTransportData ()
	Read the transport database. More...

void	makePolarCorrections (size_t i, size_t j, doublereal &f_eps, doublereal &f_sigma)
	Corrections for polar-nonpolar binary diffusion coefficients. More...

void	fitCollisionIntegrals (MMCollisionInt &integrals)
	Generate polynomial fits to collision integrals. More...

void	fitProperties (MMCollisionInt &integrals)
	Generate polynomial fits to the viscosity, conductivity, and the binary diffusion coefficients. More...

void	getBinDiffCorrection (doublereal t, MMCollisionInt &integrals, size_t k, size_t j, doublereal xk, doublereal xj, doublereal &fkj, doublereal &fjk)
	Second-order correction to the binary diffusion coefficients. More...

Protected Member Functions inherited from Transport
void	finalize ()
	Enable the transport object for use. More...

Protected Attributes
vector_fp	m_molefracs
	Vector of species mole fractions. More...

doublereal	m_viscmix
	Internal storage for the viscosity of the mixture (kg /m /s) More...

bool	m_visc_ok
	Update boolean for mixture rule for the mixture viscosity. More...

bool	m_viscwt_ok
	Update boolean for the weighting factors for the mixture viscosity. More...

bool	m_spvisc_ok
	Update boolean for the species viscosities. More...

bool	m_bindiff_ok
	Update boolean for the binary diffusivities at unit pressure. More...

int	m_mode
	Type of the polynomial fits to temperature. More...

DenseMatrix	m_phi
	m_phi is a Viscosity Weighting Function. size = m_nsp * n_nsp More...

vector_fp	m_spwork
	work space length = m_kk More...

vector_fp	m_visc
	vector of species viscosities (kg /m /s). More...

std::vector< vector_fp >	m_visccoeffs
	Polynomial fits to the viscosity of each species. More...

vector_fp	m_mw
	Local copy of the species molecular weights. More...

DenseMatrix	m_wratjk
	Holds square roots of molecular weight ratios. More...

DenseMatrix	m_wratkj1
	Holds square roots of molecular weight ratios. More...

vector_fp	m_sqvisc
	vector of square root of species viscosities sqrt(kg /m /s). More...

vector_fp	m_polytempvec
	Powers of the ln temperature, up to fourth order. More...

doublereal	m_temp
	Current value of the temperature at which the properties in this object are calculated (Kelvin). More...

doublereal	m_kbt
	Current value of Boltzmann constant times the temperature (Joules) More...

doublereal	m_sqrt_kbt
	current value of Boltzmann constant times the temperature. More...

doublereal	m_sqrt_t
	current value of temperature to 1/2 power More...

doublereal	m_logt
	Current value of the log of the temperature. More...

doublereal	m_t14
	Current value of temperature to 1/4 power. More...

doublereal	m_t32
	Current value of temperature to the 3/2 power. More...

std::vector< vector_fp >	m_diffcoeffs
	Polynomial fits to the binary diffusivity of each species. More...

DenseMatrix	m_bdiff
	Matrix of binary diffusion coefficients at the reference pressure and the current temperature Size is nsp x nsp. More...

std::vector< vector_fp >	m_condcoeffs
	temperature fits of the heat conduction More...

std::vector< vector_int >	m_poly
	Indices for the (i,j) interaction in collision integral fits. More...

std::vector< vector_fp >	m_omega22_poly
	Fit for omega22 collision integral. More...

std::vector< vector_fp >	m_astar_poly
	Fit for astar collision integral. More...

std::vector< vector_fp >	m_bstar_poly
	Fit for bstar collision integral. More...

std::vector< vector_fp >	m_cstar_poly
	Fit for cstar collision integral. More...

vector_fp	m_zrot
	Rotational relaxation number for each species. More...

vector_fp	m_crot
	Dimensionless rotational heat capacity of each species. More...

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

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

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

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

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

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

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

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

DenseMatrix	m_delta
	Reduced dipole moment of the interaction between two species. More...

vector_fp	m_w_ac
	Pitzer acentric factor. More...

int	m_log_level
	Level of verbose printing during initialization. More...

Protected Attributes inherited from Transport
thermo_t *	m_thermo
	pointer to the object representing the phase More...

bool	m_ready
	true if finalize has been called More...

size_t	m_nsp
	Number of species. More...

size_t	m_nDim
	Number of dimensions used in flux expressions. More...

int	m_velocityBasis
	Velocity basis from which diffusion velocities are computed. More...

Detailed Description

Class GasTransport implements some functions and properties that are shared by the MixTransport and MultiTransport classes.

Definition at line 19 of file GasTransport.h.

Member Function Documentation

doublereal viscosity ( )

virtual

Viscosity of the mixture (kg /m /s)

The viscosity is computed using the Wilke mixture rule (kg /m /s)

\[ \mu = \sum_k \frac{\mu_k X_k}{\sum_j \Phi_{k,j} X_j}. \]

Here \( \mu_k \) is the viscosity of pure species k, and

\[ \Phi_{k,j} = \frac{\left[1 + \sqrt{\left(\frac{\mu_k}{\mu_j}\sqrt{\frac{M_j}{M_k}}\right)}\right]^2} {\sqrt{8}\sqrt{1 + M_k/M_j}} \]

Returns: Returns the viscosity of the mixture ( units = Pa s = kg /m /s)

See Also: updateViscosity_T();

Reimplemented from Transport.

Reimplemented in HighPressureGasTransport.

Definition at line 131 of file GasTransport.cpp.

References DATA_PTR, and Cantera::multiply().

virtual void getSpeciesViscosities ( doublereal *const visc )

inlinevirtual

Get the pure-species viscosities.

Reimplemented from Transport.

Definition at line 48 of file GasTransport.h.

References GasTransport::m_visc, and GasTransport::updateViscosity_T().

void getBinaryDiffCoeffs	(	const size_t	ld,
		doublereal *const	d
	)

virtual

Returns the matrix of binary diffusion coefficients.

d[ld*j + i] = rp * m_bdiff(i,j);

Parameters

ld	offset of rows in the storage
d	output vector of diffusion coefficients. Units of m**2 / s

Reimplemented from Transport.

Reimplemented in HighPressureGasTransport.

Definition at line 222 of file GasTransport.cpp.

void getMixDiffCoeffs ( doublereal *const d )

virtual

Returns the Mixture-averaged diffusion coefficients [m^2/s].

Returns the mixture averaged diffusion coefficients for a gas, appropriate for calculating the mass averaged diffusive flux with respect to the mass averaged velocity using gradients of the mole fraction. Note, for the single species case or the pure fluid case the routine returns the self-diffusion coefficient. This is needed to avoid a Nan result in the formula below.

This is Eqn. 12.180 from "Chemically Reacting Flow"

\[ D_{km}' = \frac{\left( \bar{M} - X_k M_k \right)}{ \bar{\qquad M \qquad } } {\left( \sum_{j \ne k} \frac{X_j}{D_{kj}} \right) }^{-1} \]

Parameters

[out] d Vector of mixture diffusion coefficients, \( D_{km}' \) , for each species (m^2/s). length m_nsp

Reimplemented from Transport.

Definition at line 239 of file GasTransport.cpp.

Referenced by MixTransport::getMobilities(), and MixTransport::getSpeciesFluxes().

void getMixDiffCoeffsMole ( doublereal *const d )

virtual

Returns the mixture-averaged diffusion coefficients [m^2/s].

These are the coefficients for calculating the molar diffusive fluxes from the species mole fraction gradients, computed according to Eq. 12.176 in "Chemically Reacting Flow":

\[ D_{km}^* = \frac{1-X_k}{\sum_{j \ne k}^K X_j/\mathcal{D}_{kj}} \]

Parameters

[out] d vector of mixture-averaged diffusion coefficients for each species, length m_nsp.

Reimplemented from Transport.

Definition at line 274 of file GasTransport.cpp.

void getMixDiffCoeffsMass ( doublereal *const d )

virtual

Returns the mixture-averaged diffusion coefficients [m^2/s].

These are the coefficients for calculating the diffusive mass fluxes from the species mass fraction gradients, computed according to Eq. 12.178 in "Chemically Reacting Flow":

\[ \frac{1}{D_{km}} = \sum_{j \ne k}^K \frac{X_j}{\mathcal{D}_{kj}} + \frac{X_k}{1-Y_k} \sum_{j \ne k}^K \frac{Y_j}{\mathcal{D}_{kj}} \]

Parameters

[out] d vector of mixture-averaged diffusion coefficients for each species, length m_nsp.

Reimplemented from Transport.

Definition at line 304 of file GasTransport.cpp.

void init	(	thermo_t *	thermo,
		int	mode = `0`,
		int	log_level = `0`
	)

virtual

Initialize a transport manager.

This routine sets up a transport manager. It calculates the collision integrals and populates species-dependent data structures.

Parameters

thermo	Pointer to the ThermoPhase object
mode	Chemkin compatible mode or not. This alters the specification of the collision integrals. defaults to no.
log_level	Defaults to zero, no logging

Reimplemented from Transport.

Reimplemented in MixTransport, and MultiTransport.

Definition at line 337 of file GasTransport.cpp.

References Phase::nSpecies().

Referenced by MultiTransport::init(), and MixTransport::init().

void updateViscosity_T ( )

protectedvirtual

Update the temperature-dependent viscosity terms.

Updates the array of pure species viscosities, and the weighting functions in the viscosity mixture rule. The flag m_visc_ok is set to true.

The formula for the weighting function is from Poling and Prausnitz, Eq. (9-5.14):

\[ \phi_{ij} = \frac{ \left[ 1 + \left( \mu_i / \mu_j \right)^{1/2} \left( M_j / M_i \right)^{1/4} \right]^2 } {\left[ 8 \left( 1 + M_i / M_j \right) \right]^{1/2}} \]

Definition at line 155 of file GasTransport.cpp.

Referenced by GasTransport::getSpeciesViscosities().

void updateSpeciesViscosities ( )

protectedvirtual

Update the pure-species viscosities.

These are evaluated from the polynomial fits of the temperature and are assumed to be independent of pressure.

Definition at line 178 of file GasTransport.cpp.

References Cantera::dot4(), and Cantera::dot5().

Referenced by MultiTransport::updateThermal_T().

void updateDiff_T ( )

protectedvirtual

Update the binary diffusion coefficients.

These are evaluated from the polynomial fits of the temperature at the unit pressure of 1 Pa.

Definition at line 196 of file GasTransport.cpp.

References Cantera::dot4(), and Cantera::dot5().

Referenced by HighPressureGasTransport::getBinaryDiffCoeffs(), MultiTransport::getMassFluxes(), HighPressureGasTransport::getMultiDiffCoeffs(), MultiTransport::getSpeciesFluxes(), and MultiTransport::updateThermal_T().

void setupMM ( )

protected

Prepare to build a new kinetic-theory-based transport manager for low-density gases.

Uses polynomial fits to Monchick & Mason collision integrals.

Definition at line 374 of file GasTransport.cpp.

References Cantera::Avogadro, Cantera::Boltzmann, Cantera::epsilon_0, MMCollisionInt::init(), Cantera::Pi, and Cantera::writelog().

void getTransportData ( )

protected

Read the transport database.

Read transport property data from a file for a list of species. Given the name of a file containing transport property parameters and a list of species names.

Definition at line 464 of file GasTransport.cpp.

References GasTransportData::acentric_factor, GasTransportData::diameter, GasTransportData::dipole, GasTransportData::geometry, GasTransportData::polarizability, GasTransportData::rotational_relaxation, and GasTransportData::well_depth.

void makePolarCorrections	(	size_t	i,
		size_t	j,
		doublereal &	f_eps,
		doublereal &	f_sigma
	)

protected

Corrections for polar-nonpolar binary diffusion coefficients.

Calculate corrections to the well depth parameter and the diameter for use in computing the binary diffusion coefficient of polar-nonpolar pairs. For more information about this correction, see Dixon-Lewis, Proc. Royal Society (1968).

Parameters

i	Species one - this is a bimolecular correction routine
j	species two - this is a bimolecular correction routine
f_eps	Multiplicative correction factor to be applied to epsilon(i,j)
f_sigma	Multiplicative correction factor to be applied to diam(i,j)

Definition at line 493 of file GasTransport.cpp.

References Cantera::epsilon_0, and Cantera::Pi.

void fitCollisionIntegrals ( MMCollisionInt & integrals )

protected

Generate polynomial fits to collision integrals.

Parameters

integrals interpolator for the collision integrals

Definition at line 520 of file GasTransport.cpp.

References COLL_INT_POLY_DEGREE, DATA_PTR, and Cantera::writelog().

void fitProperties ( MMCollisionInt & integrals )

protected

Generate polynomial fits to the viscosity, conductivity, and the binary diffusion coefficients.

If CK_mode, then the fits are of the form

\[ \log(\eta(i)) = \sum_{n = 0}^3 a_n(i) (\log T)^n \]

and

\[ \log(D(i,j)) = \sum_{n = 0}^3 a_n(i,j) (\log T)^n \]

Otherwise the fits are of the form

\[ \eta(i)/sqrt(k_BT) = \sum_{n = 0}^4 a_n(i) (\log T)^n \]

and

\[ D(i,j)/sqrt(k_BT)) = \sum_{n = 0}^4 a_n(i,j) (\log T)^n \]

Parameters

integrals interpolator for the collision integrals

Definition at line 574 of file GasTransport.cpp.

References Cantera::Avogadro, Cantera::Boltzmann, DATA_PTR, Cantera::Pi, Cantera::poly3(), Cantera::poly4(), Cantera::polyfit(), Cantera::vec2str(), Cantera::writelog(), and Cantera::writelogf().

void getBinDiffCorrection	(	doublereal	t,
		MMCollisionInt &	integrals,
		size_t	k,
		size_t	j,
		doublereal	xk,
		doublereal	xj,
		doublereal &	fkj,
		doublereal &	fjk
	)

protected

Second-order correction to the binary diffusion coefficients.

Calculate second-order corrections to binary diffusion coefficient pair (dkj, djk). At first order, the binary diffusion coefficients are independent of composition, and d(k,j) = d(j,k). But at second order, there is a weak dependence on composition, with the result that d(k,j) != d(j,k). This method computes the multiplier by which the first-order binary diffusion coefficient should be multiplied to produce the value correct to second order. The expressions here are taken from Marerro and Mason, J. Phys. Chem. Ref. Data, vol. 1, p. 3 (1972).

Parameters

t	Temperature (K)
integrals	interpolator for the collision integrals
k	index of first species
j	index of second species
xk	Mole fraction of species k
xj	Mole fraction of species j
fkj	multiplier for d(k,j)
fjk	multiplier for d(j,k)

Note: This method is not used currently.

Definition at line 813 of file GasTransport.cpp.

References Cantera::Boltzmann.

Member Data Documentation

vector_fp m_molefracs

protected

Vector of species mole fractions.

These are processed so that all mole fractions are >= Tiny. Length = m_kk.

Definition at line 237 of file GasTransport.h.

Referenced by MultiTransport::getMassFluxes(), MultiTransport::getMultiDiffCoeffs(), MultiTransport::getSpeciesFluxes(), MultiTransport::getThermalDiffCoeffs(), MixTransport::thermalConductivity(), MultiTransport::update_C(), and MixTransport::update_C().

doublereal m_viscmix

protected

Internal storage for the viscosity of the mixture (kg /m /s)

Definition at line 240 of file GasTransport.h.

bool m_visc_ok

protected

Update boolean for mixture rule for the mixture viscosity.

Definition at line 243 of file GasTransport.h.

Referenced by MixTransport::update_C().

bool m_viscwt_ok

protected

Update boolean for the weighting factors for the mixture viscosity.

Definition at line 246 of file GasTransport.h.

bool m_spvisc_ok

protected

Update boolean for the species viscosities.

Definition at line 249 of file GasTransport.h.

bool m_bindiff_ok

protected

Update boolean for the binary diffusivities at unit pressure.

Definition at line 252 of file GasTransport.h.

Referenced by HighPressureGasTransport::getMultiDiffCoeffs(), and MixTransport::update_T().

int m_mode

protected

Type of the polynomial fits to temperature.

CK_Mode means Chemkin mode. Currently CA_Mode is used which are different types of fits to temperature.

Definition at line 256 of file GasTransport.h.

Referenced by MultiTransport::model(), HighPressureGasTransport::model(), MixTransport::updateCond_T(), and MultiTransport::updateThermal_T().

DenseMatrix m_phi

protected

m_phi is a Viscosity Weighting Function. size = m_nsp * n_nsp

Definition at line 259 of file GasTransport.h.

vector_fp m_spwork

protected

work space length = m_kk

Definition at line 262 of file GasTransport.h.

Referenced by MultiTransport::getMassFluxes(), MixTransport::getMobilities(), MultiTransport::getSpeciesFluxes(), and MixTransport::getSpeciesFluxes().

vector_fp m_visc

protected

vector of species viscosities (kg /m /s).

These are used in Wilke's rule to calculate the viscosity of the solution. length = m_kk.

Definition at line 266 of file GasTransport.h.

Referenced by GasTransport::getSpeciesViscosities(), and MultiTransport::updateThermal_T().

std::vector<vector_fp> m_visccoeffs

protected

Polynomial fits to the viscosity of each species.

m_visccoeffs[k] is the vector of polynomial coefficients for species k that fits the viscosity as a function of temperature.

Definition at line 271 of file GasTransport.h.

vector_fp m_mw

protected

Local copy of the species molecular weights.

Definition at line 274 of file GasTransport.h.

Referenced by MultiTransport::eval_L0000(), MultiTransport::eval_L0010(), MultiTransport::getMolarFluxes(), MultiTransport::getMultiDiffCoeffs(), HighPressureGasTransport::getMultiDiffCoeffs(), MultiTransport::getThermalDiffCoeffs(), HighPressureGasTransport::thermalConductivity(), MultiTransport::updateThermal_T(), and HighPressureGasTransport::viscosity().

DenseMatrix m_wratjk

protected

Holds square roots of molecular weight ratios.

m_wratjk(j,k) = sqrt(mw[j]/mw[k]) j < k

m_wratjk(k,j) = sqrt(sqrt(mw[j]/mw[k])) j < k

Definition at line 283 of file GasTransport.h.

DenseMatrix m_wratkj1

protected

Holds square roots of molecular weight ratios.

m_wratjk1(j,k) = sqrt(1.0 + mw[k]/mw[j]) j < k

Definition at line 289 of file GasTransport.h.

vector_fp m_sqvisc

protected

vector of square root of species viscosities sqrt(kg /m /s).

These are used in Wilke's rule to calculate the viscosity of the solution. length = m_kk.

Definition at line 294 of file GasTransport.h.

vector_fp m_polytempvec

protected

Powers of the ln temperature, up to fourth order.

Definition at line 297 of file GasTransport.h.

Referenced by MixTransport::updateCond_T().

doublereal m_temp

protected

Current value of the temperature at which the properties in this object are calculated (Kelvin).

Definition at line 301 of file GasTransport.h.

Referenced by MultiTransport::eval_L0000(), MultiTransport::eval_L0010(), HighPressureGasTransport::getBinaryDiffCoeffs(), MultiTransport::getMassFluxes(), MixTransport::getMobilities(), MultiTransport::getMultiDiffCoeffs(), HighPressureGasTransport::getMultiDiffCoeffs(), MultiTransport::getSpeciesFluxes(), HighPressureGasTransport::thermalConductivity(), MultiTransport::update_T(), MixTransport::update_T(), and MultiTransport::updateThermal_T().

doublereal m_kbt

protected

Current value of Boltzmann constant times the temperature (Joules)

Definition at line 304 of file GasTransport.h.

Referenced by MultiTransport::updateThermal_T().

doublereal m_sqrt_kbt

protected

current value of Boltzmann constant times the temperature.

(Joules) to 1/2 power

Definition at line 308 of file GasTransport.h.

doublereal m_sqrt_t

protected

current value of temperature to 1/2 power

Definition at line 311 of file GasTransport.h.

Referenced by MixTransport::updateCond_T(), and MultiTransport::updateThermal_T().

doublereal m_logt

protected

Current value of the log of the temperature.

Definition at line 314 of file GasTransport.h.

Referenced by MultiTransport::updateThermal_T().

doublereal m_t14

protected

Current value of temperature to 1/4 power.

Definition at line 317 of file GasTransport.h.

doublereal m_t32

protected

Current value of temperature to the 3/2 power.

Definition at line 320 of file GasTransport.h.

std::vector<vector_fp> m_diffcoeffs

protected

Polynomial fits to the binary diffusivity of each species.

m_diffcoeff[ic] is vector of polynomial coefficients for species i species j that fits the binary diffusion coefficient. The relationship between i j and ic is determined from the following algorithm:

int ic = 0;
for (i = 0; i < m_nsp; i++) {
   for (j = i; j < m_nsp; j++) {
     ic++;
   }

Definition at line 335 of file GasTransport.h.

DenseMatrix m_bdiff

protected

Matrix of binary diffusion coefficients at the reference pressure and the current temperature Size is nsp x nsp.

Definition at line 339 of file GasTransport.h.

Referenced by MultiTransport::eval_L0000(), MultiTransport::eval_L0010(), HighPressureGasTransport::getBinaryDiffCoeffs(), MultiTransport::getMassFluxes(), HighPressureGasTransport::getMultiDiffCoeffs(), MultiTransport::getSpeciesFluxes(), and MultiTransport::updateThermal_T().

std::vector<vector_fp> m_condcoeffs

protected

temperature fits of the heat conduction

Dimensions are number of species (nsp) polynomial order of the collision integral fit (degree+1).

Definition at line 346 of file GasTransport.h.

Referenced by MixTransport::updateCond_T().

std::vector<vector_int> m_poly

protected

Indices for the (i,j) interaction in collision integral fits.

m_poly[i][j] contains the index for (i,j) interactions in m_omega22_poly, m_astar_poly, m_bstar_poly, and m_cstar_poly.

Definition at line 353 of file GasTransport.h.

Referenced by MultiTransport::updateThermal_T().

std::vector<vector_fp> m_omega22_poly

protected

Fit for omega22 collision integral.

m_omega22_poly[m_poly[i][j]] is the vector of polynomial coefficients (length degree+1) for the collision integral fit for the species pair (i,j).

Definition at line 361 of file GasTransport.h.

Referenced by MultiTransport::updateThermal_T().

std::vector<vector_fp> m_astar_poly

protected

Fit for astar collision integral.

m_astar_poly[m_poly[i][j]] is the vector of polynomial coefficients (length degree+1) for the collision integral fit for the species pair (i,j).

Definition at line 369 of file GasTransport.h.

Referenced by MultiTransport::updateThermal_T().

std::vector<vector_fp> m_bstar_poly

protected

Fit for bstar collision integral.

m_bstar_poly[m_poly[i][j]] is the vector of polynomial coefficients (length degree+1) for the collision integral fit for the species pair (i,j).

Definition at line 377 of file GasTransport.h.

Referenced by MultiTransport::updateThermal_T().

std::vector<vector_fp> m_cstar_poly

protected

Fit for cstar collision integral.

m_bstar_poly[m_poly[i][j]] is the vector of polynomial coefficients (length degree+1) for the collision integral fit for the species pair (i,j).

Definition at line 385 of file GasTransport.h.

Referenced by MultiTransport::updateThermal_T().

vector_fp m_zrot

protected

Rotational relaxation number for each species.

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

Definition at line 391 of file GasTransport.h.

Referenced by MultiTransport::updateThermal_T().

vector_fp m_crot

protected

Dimensionless rotational heat capacity of each species.

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. Dimensionless (Cr / R)

Definition at line 399 of file GasTransport.h.

std::vector<bool> m_polar

protected

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

Length is nsp

Definition at line 405 of file GasTransport.h.

vector_fp m_alpha

protected

Polarizability of each species in the phase.

Length = nsp. Units = m^3

Definition at line 411 of file GasTransport.h.

vector_fp m_eps