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

#include <GasTransport.h>

Inheritance diagram for GasTransport:

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Collaboration diagram for GasTransport:

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Public Member Functions
	GasTransport (const GasTransport &right)

GasTransport &	operator= (const GasTransport &right)

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

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

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

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

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

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

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

virtual int	model () const
	Transport model.

thermo_t &	thermo ()
	Phase object.

bool	ready ()
	Returns true if the transport manager is ready for use.

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

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

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

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

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

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.

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.

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.

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.

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.

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.

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.

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

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

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

void	setVelocityBasis (VelocityBasis ivb)
	Sets the velocity basis.

VelocityBasis	getVelocityBasis () const
	Gets the velocity basis.

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

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

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

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

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

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

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

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

virtual doublereal	electricalConductivity ()
	The electrical conductivity (Siemens/m).

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

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

Protected Member Functions
	GasTransport (ThermoPhase *thermo=0)

virtual bool	initGas (GasTransportParams &tr)
	Called by TransportFactory to set parameters.

virtual void	update_T ()

virtual void	update_C ()=0

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

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

virtual void	updateDiff_T ()
	Update the binary diffusion coefficients.

Transport manager construction
These methods are used internally during construction.
virtual bool	initLiquid (LiquidTransportParams &tr)
	Called by TransportFactory to set parameters.

void	setThermo (thermo_t &thermo)
	Specifies the ThermPhase object.

void	finalize ()
	Enable the transport object for use.

Protected Attributes
vector_fp	m_molefracs
	Vector of species mole fractions.

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

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

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

bool	m_spvisc_ok
	Update boolean for the species viscosities.

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

int	m_mode
	Type of the polynomial fits to temperature.

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

vector_fp	m_spwork
	work space length = m_kk

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

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

vector_fp	m_mw
	Local copy of the species molecular weights.

DenseMatrix	m_wratjk
	Holds square roots of molecular weight ratios.

DenseMatrix	m_wratkj1
	Holds square roots of molecular weight ratios.

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

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

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

doublereal	m_kbt
	Current value of Boltzman's constant times the temperature (Joules)

doublereal	m_sqrt_kbt
	current value of Boltzman's constant times the temperature.

doublereal	m_sqrt_t
	current value of temperature to 1/2 power

doublereal	m_logt
	Current value of the log of the temperature.

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

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

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

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

thermo_t *	m_thermo
	pointer to the object representing the phase

bool	m_ready
	true if finalize has been called

size_t	m_nsp
	Number of species.

size_t	m_nDim
	Number of dimensions used in flux expressions.

int	m_velocityBasis
	Velocity basis from which diffusion velocities are computed.

Detailed Description

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

Definition at line 14 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.

Definition at line 166 of file GasTransport.cpp.

References DATA_PTR, GasTransport::m_molefracs, Transport::m_nsp, GasTransport::m_phi, GasTransport::m_spwork, GasTransport::m_visc, GasTransport::m_visc_ok, GasTransport::m_viscmix, GasTransport::m_viscwt_ok, Cantera::multiply(), and GasTransport::updateViscosity_T().

virtual void getSpeciesViscosities ( doublereal *const visc )

inlinevirtual

Get the pure-species viscosities.

Reimplemented from Transport.

Definition at line 44 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.

Definition at line 257 of file GasTransport.cpp.

References GasTransport::m_bdiff, GasTransport::m_bindiff_ok, Transport::m_nsp, Transport::m_thermo, ThermoPhase::pressure(), and GasTransport::updateDiff_T().

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 274 of file GasTransport.cpp.

References GasTransport::m_bdiff, GasTransport::m_bindiff_ok, GasTransport::m_molefracs, GasTransport::m_mw, Transport::m_nsp, Transport::m_thermo, Phase::meanMolecularWeight(), ThermoPhase::pressure(), and GasTransport::updateDiff_T().

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 309 of file GasTransport.cpp.

References GasTransport::m_bdiff, GasTransport::m_bindiff_ok, GasTransport::m_molefracs, Transport::m_nsp, Transport::m_thermo, ThermoPhase::pressure(), and GasTransport::updateDiff_T().

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 339 of file GasTransport.cpp.

References GasTransport::m_bdiff, GasTransport::m_bindiff_ok, GasTransport::m_molefracs, GasTransport::m_mw, Transport::m_nsp, Transport::m_thermo, Phase::meanMolecularWeight(), ThermoPhase::pressure(), and GasTransport::updateDiff_T().

bool initGas ( GasTransportParams & tr )

protectedvirtual

Called by TransportFactory to set parameters.

This is called by classes that use the gas phase parameter list to initialize themselves.

Parameters

tr	Reference to the parameter list that will be used to initialize the class

Reimplemented from Transport.

Reimplemented in MixTransport, and MultiTransport.

Definition at line 95 of file GasTransport.cpp.

References GasTransportParams::diffcoeffs, GasTransport::m_bdiff, GasTransport::m_bindiff_ok, GasTransport::m_diffcoeffs, GasTransport::m_mode, GasTransport::m_molefracs, GasTransport::m_mw, Transport::m_nsp, GasTransport::m_phi, GasTransport::m_spvisc_ok, GasTransport::m_spwork, GasTransport::m_sqvisc, Transport::m_thermo, GasTransport::m_visc, GasTransport::m_visc_ok, GasTransport::m_visccoeffs, GasTransport::m_viscwt_ok, GasTransport::m_wratjk, GasTransport::m_wratkj1, TransportParams::mode_, Phase::molecularWeights(), Phase::nSpecies(), DenseMatrix::resize(), TransportParams::thermo, and GasTransportParams::visccoeffs.

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

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 190 of file GasTransport.cpp.

References GasTransport::m_mw, Transport::m_nsp, GasTransport::m_phi, GasTransport::m_spvisc_ok, GasTransport::m_sqvisc, GasTransport::m_visc, GasTransport::m_viscwt_ok, GasTransport::m_wratjk, GasTransport::m_wratkj1, Cantera::SqrtEight, and GasTransport::updateSpeciesViscosities().

Referenced by GasTransport::getSpeciesViscosities(), and GasTransport::viscosity().

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 213 of file GasTransport.cpp.

References Cantera::dot4(), Cantera::dot5(), GasTransport::m_mode, Transport::m_nsp, GasTransport::m_polytempvec, GasTransport::m_spvisc_ok, GasTransport::m_sqvisc, GasTransport::m_t14, GasTransport::m_visc, and GasTransport::m_visccoeffs.

Referenced by MultiTransport::updateThermal_T(), and GasTransport::updateViscosity_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 231 of file GasTransport.cpp.

References Cantera::dot4(), Cantera::dot5(), GasTransport::m_bdiff, GasTransport::m_bindiff_ok, GasTransport::m_diffcoeffs, GasTransport::m_mode, Transport::m_nsp, GasTransport::m_polytempvec, GasTransport::m_sqrt_t, and GasTransport::m_temp.

Referenced by GasTransport::getBinaryDiffCoeffs(), MultiTransport::getMassFluxes(), GasTransport::getMixDiffCoeffs(), GasTransport::getMixDiffCoeffsMass(), GasTransport::getMixDiffCoeffsMole(), MultiTransport::getSpeciesFluxes(), and MultiTransport::updateThermal_T().

Transport * duplMyselfAsTransport ( ) const

virtualinherited

Duplication routine for objects which inherit from Transport.

This virtual routine can be used to duplicate Transport objects inherited from Transport even if the application only has a pointer to Transport to work with.

These routines are basically wrappers around the derived copy constructor.

Reimplemented in SimpleTransport, LiquidTransport, DustyGasTransport, MixTransport, WaterTransport, and SolidTransport.

Definition at line 64 of file TransportBase.cpp.

References Transport::Transport().

virtual int model ( ) const

inlinevirtualinherited

Transport model.

The transport model is the set of equations used to compute the transport properties. This virtual method returns an integer flag that identifies the transport model implemented. The base class returns 0.

Reimplemented in SimpleTransport, LiquidTransport, AqueousTransport, MixTransport, DustyGasTransport, MultiTransport, WaterTransport, and SolidTransport.

Definition at line 228 of file TransportBase.h.

Referenced by Transport::err(), and StFlow::setTransport().

thermo_t& thermo ( )

inlineinherited

Phase object.

Every transport manager is designed to compute properties for a specific phase of a mixture, which might be a liquid solution, a gas mixture, a surface, etc. This method returns a reference to the object representing the phase itself.

Definition at line 239 of file TransportBase.h.

References Transport::m_thermo.

Referenced by Transport::setThermo().

bool ready ( )

inherited

Returns true if the transport manager is ready for use.

Definition at line 75 of file TransportBase.cpp.

References Transport::m_ready.

Referenced by Transport::finalize(), and Transport::setThermo().

void setNDim ( const int ndim )

inherited

Set the number of dimensions to be expected in flux expressions.

Internal memory will be set with this value.

Parameters

ndim	Number of dimensions in flux expressions

Definition at line 83 of file TransportBase.cpp.

References Transport::m_nDim.

size_t nDim ( ) const

inlineinherited

Return the number of dimensions in flux expressions.

Returns: Returns the number of dimensions

Definition at line 261 of file TransportBase.h.

References Transport::m_nDim.

void checkSpeciesIndex ( size_t k ) const

inherited

Check that the specified species index is in range Throws an exception if k is greater than nSpecies()

Definition at line 88 of file TransportBase.cpp.

References Transport::m_nsp.

void checkSpeciesArraySize ( size_t kk ) const

inherited

Check that an array size is at least nSpecies() Throws an exception if kk is less than nSpecies().

Used before calls which take an array pointer.

Definition at line 95 of file TransportBase.cpp.

References Transport::m_nsp.

virtual doublereal bulkViscosity ( )

inlinevirtualinherited

The bulk viscosity in Pa-s.

The bulk viscosity is only non-zero in rare cases. Most transport managers either overload this method to return zero, or do not implement it, in which case an exception is thrown if called.

Reimplemented in WaterTransport, and FtnTransport.

Definition at line 303 of file TransportBase.h.

References Transport::err().

virtual doublereal ionConductivity ( )

inlinevirtualinherited

The ionic conductivity in 1/ohm/m.

Reimplemented in LiquidTransport.

Definition at line 310 of file TransportBase.h.

References Transport::err().

virtual void getSpeciesIonConductivity ( doublereal *const ionCond )

inlinevirtualinherited

Returns the pure species ionic conductivity.

The units are 1/ohm/m and the length is the number of species

Parameters

ionCond Vector of ionic conductivities

Reimplemented in LiquidTransport.

Definition at line 320 of file TransportBase.h.

References Transport::err().

virtual void mobilityRatio ( double * mobRat )

inlinevirtualinherited

Returns the pointer to the mobility ratios of the species in the phase.

Parameters

mobRat Returns a matrix of mobility ratios for the current problem. The mobility ratio mobRat(i,j) is defined as the ratio of the mobility of species i to species j.

mobRat(i,j) = mu_i / mu_j

It is returned in fortran-ordering format. ie. it is returned as mobRat[k], where

k = j * nsp + i

The size of mobRat must be at least equal to nsp*nsp

Deprecated:: This doesn't seem to be the essential input; it should just be the mobility.

Reimplemented in LiquidTransport.

Definition at line 342 of file TransportBase.h.

References Transport::err().

virtual void getSpeciesMobilityRatio ( double ** mobRat )

inlinevirtualinherited

Returns the pure species limit of the mobility ratios.

The value is dimensionless and the length is the number of species

Parameters

mobRat Vector of mobility ratios

Reimplemented in LiquidTransport.

Definition at line 352 of file TransportBase.h.

References Transport::err().

virtual void selfDiffusion ( doublereal *const selfDiff )

inlinevirtualinherited

Returns the self diffusion coefficients of the species in the phase.

The self diffusion coefficient is the diffusion coefficient of a tracer species at the current temperature and composition of the species. Therefore, the dilute limit of transport is assumed for the tracer species. The effective formula may be calculated from the stefan-maxwell formulation by adding another row for the tracer species, assigning all D's to be equal to the respective species D's, and then taking the limit as the tracer species mole fraction goes to zero. The corresponding flux equation for the tracer species k in units of kmol m-2 s-1 is.

\[ J_k = - D^{sd}_k \frac{C_k}{R T} \nabla \mu_k \]

The derivative is taken at constant T and P.

The self diffusion calculation is handled by subclasses of LiquidTranInteraction as specified in the input file. These in turn employ subclasses of LTPspecies to determine the individual species self diffusion coeffs.

Parameters

selfDiff Vector of self-diffusion coefficients Length = number of species in phase units = m**2 s-1

Reimplemented in LiquidTransport.

Definition at line 382 of file TransportBase.h.

References Transport::err().

virtual void getSpeciesSelfDiffusion ( double ** selfDiff )

inlinevirtualinherited

Returns the pure species self diffusion in solution of each species.

The pure species molar volumes are evaluated using the appropriate subclasses of LTPspecies as specified in the input file.

Parameters

selfDiff array of length "number of species" to hold returned self diffusion coeffs.

Reimplemented in LiquidTransport.

Definition at line 396 of file TransportBase.h.

References Transport::err().

virtual doublereal thermalConductivity ( )

inlinevirtualinherited

Returns the mixture thermal conductivity in W/m/K.

Units are in W / m K or equivalently kg m / s3 K

Returns: returns thermal conductivity in W/m/K.

Reimplemented in SimpleTransport, LiquidTransport, AqueousTransport, MixTransport, WaterTransport, MultiTransport, FtnTransport, and SolidTransport.

Definition at line 406 of file TransportBase.h.

References Transport::err().

Referenced by StFlow::updateTransport().

virtual doublereal electricalConductivity ( )

inlinevirtualinherited

The electrical conductivity (Siemens/m).

Reimplemented in SolidTransport, and FtnTransport.

Definition at line 413 of file TransportBase.h.

References Transport::err().

virtual void getMobilities ( doublereal *const mobil_e )

inlinevirtualinherited

Get the Electrical mobilities (m^2/V/s).

This function returns the mobilities. In some formulations this is equal to the normal mobility multiplied by faraday's constant.

Frequently, but not always, the mobility is calculated from the diffusion coefficient using the Einstein relation

\[ \mu^e_k = \frac{F D_k}{R T} \]

Parameters

mobil_e Returns the mobilities of the species in array mobil_e. The array must be dimensioned at least as large as the number of species.

Reimplemented in LiquidTransport, SimpleTransport, AqueousTransport, MixTransport, FtnTransport, and SolidTransport.

Definition at line 435 of file TransportBase.h.

References Transport::err().

virtual void getFluidMobilities ( doublereal *const mobil_f )

inlinevirtualinherited

Get the fluid mobilities (s kmol/kg).

This function returns the fluid mobilities. Usually, you have to multiply Faraday's constant into the resulting expression to general a species flux expression.

Frequently, but not always, the mobility is calculated from the diffusion coefficient using the Einstein relation

\[ \mu^f_k = \frac{D_k}{R T} \]

Parameters

mobil_f Returns the mobilities of the species in array mobil. The array must be dimensioned at least as large as the number of species.

Reimplemented in LiquidTransport, SimpleTransport, and AqueousTransport.

Definition at line 457 of file TransportBase.h.

References Transport::err().

virtual doublereal getElectricConduct ( )

inlinevirtualinherited

Compute the mixture electrical conductivity (S m-1) at the current conditions of the phase (Siemens m-1)

The electrical conductivity, \( \sigma \), relates the electric current density, J, to the electric field, E.

\[ \vec{J} = \sigma \vec{E} \]

We assume here that the mixture electrical conductivity is an isotropic quantity, at this stage. Tensors may be included at a later time.

The conductivity is the reciprocal of the resistivity.

The units are Siemens m-1, where 1 S = 1 A / volt = 1 s^3 A^2 /kg /m^2

Reimplemented in LiquidTransport.

Definition at line 482 of file TransportBase.h.

References Transport::err().

virtual void getElectricCurrent	(	int	ndim,
		const doublereal *	grad_T,
		int	ldx,
		const doublereal *	grad_X,
		int	ldf,
		const doublereal *	grad_V,
		doublereal *	current
	)

inlinevirtualinherited

Compute the electric current density in A/m^2.

Calculates the electric current density as a vector, given the gradients of the field variables.

Parameters

ndim	The number of spatial dimensions (1, 2, or 3).
grad_T	The temperature gradient (ignored in this model).
ldx	Leading dimension of the grad_X array.
grad_X	The gradient of the mole fraction
ldf	Leading dimension of the grad_V and current vectors.
grad_V	The electrostatic potential gradient.
current	The electric current in A/m^2. This is a vector of length ndim

Reimplemented in LiquidTransport.

Definition at line 500 of file TransportBase.h.

References Transport::err().

void getSpeciesFluxes	(	size_t	ndim,
		const doublereal *const	grad_T,
		size_t	ldx,
		const doublereal *const	grad_X,
		size_t	ldf,
		doublereal *const	fluxes
	)

virtualinherited

Get the species diffusive mass fluxes wrt to the specified solution averaged velocity, given the gradients in mole fraction and temperature.

Units for the returned fluxes are kg m-2 s-1.

Usually the specified solution average velocity is the mass averaged velocity. This is changed in some subclasses, however.

Parameters

ndim	Number of dimensions in the flux expressions
grad_T	Gradient of the temperature (length = ndim)
ldx	Leading dimension of the grad_X array (usually equal to m_nsp but not always)
grad_X	Gradients of the mole fraction Flat vector with the m_nsp in the inner loop. length = ldx * ndim
ldf	Leading dimension of the fluxes array (usually equal to m_nsp but not always)
fluxes	Output of the diffusive mass fluxes Flat vector with the m_nsp in the inner loop. length = ldx * ndim

Reimplemented in LiquidTransport, SimpleTransport, AqueousTransport, MixTransport, and MultiTransport.

Definition at line 146 of file TransportBase.cpp.

References Transport::err().

Referenced by Transport::getSpeciesFluxesES().

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
	)

inlinevirtualinherited

Get the species diffusive mass fluxes wrt to the mass averaged velocity, given the gradients in mole fraction, temperature and electrostatic potential.

Units for the returned fluxes are kg m-2 s-1.

Parameters

ndim	Number of dimensions in the flux expressions
grad_T	Gradient of the temperature (length = ndim)
ldx	Leading dimension of the grad_X array (usually equal to m_nsp but not always)
grad_X	Gradients of the mole fraction Flat vector with the m_nsp in the inner loop. length = ldx * ndim
ldf	Leading dimension of the fluxes array (usually equal to m_nsp but not always)
grad_Phi	Gradients of the electrostatic potential (length = ndim)
fluxes	Output of the diffusive mass fluxes Flat vector with the m_nsp in the inner loop. length = ldx * ndim

Definition at line 560 of file TransportBase.h.

References Transport::getSpeciesFluxes().

virtual void getSpeciesVdiff	(	size_t	ndim,
		const doublereal *	grad_T,
		int	ldx,
		const doublereal *	grad_X,
		int	ldf,
		doublereal *	Vdiff
	)

inlinevirtualinherited

Get the species diffusive velocities wrt to the mass averaged velocity, given the gradients in mole fraction and temperature.

Units for the returned velocities are m s-1

Parameters

ndim	Number of dimensions in the flux expressions
grad_T	Gradient of the temperature (length = ndim)
ldx	Leading dimension of the grad_X array (usually equal to m_nsp but not always)
grad_X	Gradients of the mole fraction Flat vector with the m_nsp in the inner loop. length = ldx * ndim
ldf	Leading dimension of the fluxes array (usually equal to m_nsp but not always)
Vdiff	Output of the diffusive velocities wrt the mass-averaged velocity Flat vector with the m_nsp in the inner loop. length = ldx * ndim units are m / s.

Reimplemented in LiquidTransport, and SimpleTransport.

Definition at line 593 of file TransportBase.h.

References Transport::err().

Referenced by Transport::getSpeciesVdiffES().

virtual void getSpeciesVdiffES	(	size_t	ndim,
		const doublereal *	grad_T,
		int	ldx,
		const doublereal *	grad_X,
		int	ldf,
		const doublereal *	grad_Phi,
		doublereal *	Vdiff
	)

inlinevirtualinherited

Get the species diffusive velocities wrt to the mass averaged velocity, given the gradients in mole fraction, temperature, and electrostatic potential.

Units for the returned velocities are m s-1.

Parameters

ndim	Number of dimensions in the flux expressions
grad_T	Gradient of the temperature (length = ndim)
ldx	Leading dimension of the grad_X array (usually equal to m_nsp but not always)
grad_X	Gradients of the mole fraction Flat vector with the m_nsp in the inner loop. length = ldx * ndim
ldf	Leading dimension of the fluxes array (usually equal to m_nsp but not always)
grad_Phi	Gradients of the electrostatic potential (length = ndim)
Vdiff	Output of the diffusive velocities wrt the mass-averaged velocity Flat vector with the m_nsp in the inner loop. length = ldx * ndim units are m / s.

Reimplemented in LiquidTransport, and SimpleTransport.

Definition at line 625 of file TransportBase.h.

References Transport::getSpeciesVdiff().

virtual void getMolarFluxes	(	const doublereal *const	state1,
		const doublereal *const	state2,
		const doublereal	delta,
		doublereal *const	cfluxes
	)

inlinevirtualinherited

Get the molar fluxes [kmol/m^2/s], given the thermodynamic state at two nearby points.

Parameters

state1	Array of temperature, density, and mass fractions for state 1.
state2	Array of temperature, density, and mass fractions for state 2.
delta	Distance from state 1 to state 2 (m).
cfluxes	Output array containing the diffusive molar fluxes of species from state1 to state2. This is a flat vector with the m_nsp in the inner loop. length = ldx * ndim. Units are [kmol/m^2/s].

Reimplemented in MultiTransport, and DustyGasTransport.

Definition at line 650 of file TransportBase.h.

References Transport::err().

virtual void getMassFluxes	(	const doublereal *	state1,
		const doublereal *	state2,
		doublereal	delta,
		doublereal *	mfluxes
	)

inlinevirtualinherited

Get the mass fluxes [kg/m^2/s], given the thermodynamic state at two nearby points.

Parameters

state1	Array of temperature, density, and mass fractions for state 1.
state2	Array of temperature, density, and mass fractions for state 2.
delta	Distance from state 1 to state 2 (m).
mfluxes	Output array containing the diffusive mass fluxes of species from state1 to state2. This is a flat vector with the m_nsp in the inner loop. length = ldx * ndim. Units are [kg/m^2/s].

Reimplemented in MultiTransport.

Definition at line 671 of file TransportBase.h.

References Transport::err().

virtual void getThermalDiffCoeffs ( doublereal *const dt )

inlinevirtualinherited

Return a vector of Thermal diffusion coefficients [kg/m/sec].

The thermal diffusion coefficient \( D^T_k \) is defined so that the diffusive mass flux of species k induced by the local temperature gradient is given by the following formula

\[ M_k J_k = -D^T_k \nabla \ln T. \]

The thermal diffusion coefficient can be either positive or negative.

Parameters

dt	On return, dt will contain the species thermal diffusion coefficients. Dimension dt at least as large as the number of species. Units are kg/m/s.

Reimplemented in LiquidTransport, SimpleTransport, AqueousTransport, MixTransport, MultiTransport, and FtnTransport.

Definition at line 693 of file TransportBase.h.

References Transport::err().

Referenced by StFlow::updateTransport().

virtual void getMultiDiffCoeffs	(	const size_t	ld,
		doublereal *const	d
	)

inlinevirtualinherited

Return the Multicomponent diffusion coefficients. Units: [m^2/s].

If the transport manager implements a multicomponent diffusion model, then this method returns the array of multicomponent diffusion coefficients. Otherwise it throws an exception.

Parameters

ld	The dimension of the inner loop of d (usually equal to m_nsp)
d	flat vector of diffusion coefficients, fortran ordering. d[ld*j+i] is the D_ij diffusion coefficient (the diffusion coefficient for species i due to species j).

Reimplemented in DustyGasTransport, and MultiTransport.

Definition at line 721 of file TransportBase.h.

References Transport::err().

Referenced by StFlow::updateTransport().

void setParameters	(	const int	type,
		const int	k,
		const doublereal *const	p
	)

virtualinherited

Set model parameters for derived classes.

This method may be derived in subclasses to set model-specific parameters. The primary use of this class is to set parameters while in the middle of a calculation without actually having to dynamically cast the base Transport pointer.

Parameters

type	Specifies the type of parameters to set 0 : Diffusion coefficient 1 : Thermal Conductivity The rest are currently unused.
k	Species index to set the parameters on
p	Vector of parameters. The length of the vector varies with the parameterization

Reimplemented in DustyGasTransport, and SolidTransport.

Definition at line 105 of file TransportBase.cpp.

References Transport::err().

void setVelocityBasis ( VelocityBasis ivb )

inlineinherited

Sets the velocity basis.

What the transport object does with this parameter is up to the individual operator. Currently, this is not functional for most transport operators including all of the gas-phase operators.

Parameters

ivb	Species the velocity basis

Definition at line 777 of file TransportBase.h.

References Transport::m_velocityBasis.

VelocityBasis getVelocityBasis ( ) const

inlineinherited

Gets the velocity basis.

What the transport object does with this parameter is up to the individual operator. Currently, this is not functional for most transport operators including all of the gas-phase operators.

Returns: Returns the velocity basis

Definition at line 789 of file TransportBase.h.

References Transport::m_velocityBasis.

virtual bool initLiquid ( LiquidTransportParams & tr )

inlineprotectedvirtualinherited

Called by TransportFactory to set parameters.

This is called by classes that use the liquid phase parameter list to initialize themselves.

Parameters

tr	Reference to the parameter list that will be used to initialize the class

Reimplemented in AqueousTransport, SimpleTransport, and LiquidTransport.

Definition at line 832 of file TransportBase.h.

References Transport::err().

Referenced by TransportFactory::initLiquidTransport().

void setThermo ( thermo_t & thermo )

protectedinherited

Specifies the ThermPhase object.

Parameters

thermo Reference to the ThermoPhase object that the transport object will use

Definition at line 112 of file TransportBase.cpp.

References Transport::m_nsp, Transport::m_thermo, Phase::nSpecies(), Transport::ready(), and Transport::thermo().

Referenced by TransportFactory::newTransport().

void finalize ( )

protectedinherited

Enable the transport object for use.

Once finalize() has been called, the transport manager should be ready to compute any supported transport property, and no further modifications to the model parameters should be made.

Definition at line 136 of file TransportBase.cpp.

References Transport::m_ready, and Transport::ready().

Member Data Documentation

vector_fp m_molefracs

protected

Vector of species mole fractions.

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

Definition at line 136 of file GasTransport.h.

Referenced by MultiTransport::getMassFluxes(), GasTransport::getMixDiffCoeffs(), GasTransport::getMixDiffCoeffsMass(), GasTransport::getMixDiffCoeffsMole(), MultiTransport::getMultiDiffCoeffs(), MultiTransport::getSpeciesFluxes(), MultiTransport::getThermalDiffCoeffs(), GasTransport::initGas(), MultiTransport::solveLMatrixEquation(), MixTransport::thermalConductivity(), MixTransport::update_C(), MultiTransport::update_C(), and GasTransport::viscosity().

doublereal m_viscmix

protected

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

Definition at line 139 of file GasTransport.h.

Referenced by GasTransport::viscosity().

bool m_visc_ok

protected

Update boolean for mixture rule for the mixture viscosity.

Definition at line 142 of file GasTransport.h.

Referenced by GasTransport::initGas(), MixTransport::update_C(), and GasTransport::viscosity().

bool m_viscwt_ok

protected

Update boolean for the weighting factors for the mixture viscosity.

Definition at line 145 of file GasTransport.h.

Referenced by GasTransport::initGas(), GasTransport::updateViscosity_T(), and GasTransport::viscosity().

bool m_spvisc_ok

protected

Update boolean for the species viscosities.

Definition at line 148 of file GasTransport.h.

Referenced by GasTransport::initGas(), GasTransport::updateSpeciesViscosities(), and GasTransport::updateViscosity_T().

bool m_bindiff_ok

protected

Update boolean for the binary diffusivities at unit pressure.

Definition at line 151 of file GasTransport.h.

Referenced by GasTransport::getBinaryDiffCoeffs(), GasTransport::getMixDiffCoeffs(), GasTransport::getMixDiffCoeffsMass(), GasTransport::getMixDiffCoeffsMole(), GasTransport::initGas(), MixTransport::update_T(), and GasTransport::updateDiff_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 155 of file GasTransport.h.

Referenced by GasTransport::initGas(), MultiTransport::model(), MixTransport::updateCond_T(), GasTransport::updateDiff_T(), GasTransport::updateSpeciesViscosities(), and MultiTransport::updateThermal_T().

DenseMatrix m_phi

protected

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

Definition at line 158 of file GasTransport.h.

Referenced by GasTransport::initGas(), GasTransport::updateViscosity_T(), and GasTransport::viscosity().

vector_fp m_spwork

protected

work space length = m_kk

Definition at line 161 of file GasTransport.h.

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

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 165 of file GasTransport.h.

Referenced by GasTransport::getSpeciesViscosities(), GasTransport::initGas(), GasTransport::updateSpeciesViscosities(), MultiTransport::updateThermal_T(), GasTransport::updateViscosity_T(), and GasTransport::viscosity().

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 170 of file GasTransport.h.

Referenced by GasTransport::initGas(), and GasTransport::updateSpeciesViscosities().

vector_fp m_mw

protected

Local copy of the species molecular weights.

Definition at line 173 of file GasTransport.h.

Referenced by MultiTransport::eval_L0000(), MultiTransport::eval_L0010(), GasTransport::getMixDiffCoeffs(), GasTransport::getMixDiffCoeffsMass(), MultiTransport::getMolarFluxes(), MultiTransport::getMultiDiffCoeffs(), MultiTransport::getThermalDiffCoeffs(), GasTransport::initGas(), MultiTransport::updateThermal_T(), and GasTransport::updateViscosity_T().

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 180 of file GasTransport.h.

Referenced by GasTransport::initGas(), and GasTransport::updateViscosity_T().

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 186 of file GasTransport.h.

Referenced by GasTransport::initGas(), and GasTransport::updateViscosity_T().

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 191 of file GasTransport.h.

Referenced by GasTransport::initGas(), GasTransport::updateSpeciesViscosities(), and GasTransport::updateViscosity_T().

vector_fp m_polytempvec

protected

Powers of the ln temperature, up to fourth order.

Definition at line 194 of file GasTransport.h.

Referenced by MixTransport::updateCond_T(), GasTransport::updateDiff_T(), and GasTransport::updateSpeciesViscosities().

doublereal m_temp

protected

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

Definition at line 198 of file GasTransport.h.

Referenced by MultiTransport::eval_L0000(), MultiTransport::eval_L0010(), MultiTransport::getMassFluxes(), MixTransport::getMobilities(), MultiTransport::getMultiDiffCoeffs(), MultiTransport::getSpeciesFluxes(), MixTransport::update_T(), MultiTransport::update_T(), GasTransport::updateDiff_T(), and MultiTransport::updateThermal_T().

doublereal m_kbt

protected

Current value of Boltzman's constant times the temperature (Joules)

Definition at line 201 of file GasTransport.h.

Referenced by MultiTransport::updateThermal_T().

doublereal m_sqrt_kbt

protected

current value of Boltzman's constant times the temperature.

(Joules) to 1/2 power

Definition at line 205 of file GasTransport.h.

doublereal m_sqrt_t

protected

current value of temperature to 1/2 power

Definition at line 208 of file GasTransport.h.

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

doublereal m_logt

protected

Current value of the log of the temperature.

Definition at line 211 of file GasTransport.h.

Referenced by MultiTransport::updateThermal_T().

doublereal m_t14

protected

Current value of temperature to 1/4 power.

Definition at line 214 of file GasTransport.h.

Referenced by GasTransport::updateSpeciesViscosities().

doublereal m_t32

protected

Current value of temperature to the 3/2 power.

Definition at line 217 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 232 of file GasTransport.h.

Referenced by GasTransport::initGas(), and GasTransport::updateDiff_T().

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 236 of file GasTransport.h.

Referenced by MultiTransport::eval_L0000(), MultiTransport::eval_L0010(), GasTransport::getBinaryDiffCoeffs(), MultiTransport::getMassFluxes(), GasTransport::getMixDiffCoeffs(), GasTransport::getMixDiffCoeffsMass(), GasTransport::getMixDiffCoeffsMole(), MultiTransport::getSpeciesFluxes(), GasTransport::initGas(), GasTransport::updateDiff_T(), and MultiTransport::updateThermal_T().