Base class for transport property managers. More...

#include <TransportBase.h>

Inheritance diagram for Transport:

Collaboration diagram for Transport:

Public Member Functions
	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	getBinaryDiffCoeffs (const size_t ld, doublereal *const d)
	Returns the matrix of binary diffusion coefficients [m^2/s]. More...

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

virtual void	getMixDiffCoeffs (doublereal *const d)
	Returns a vector of mixture averaged diffusion coefficients. More...

virtual void	getMixDiffCoeffsMole (doublereal *const d)
	Returns a vector of mixture averaged diffusion coefficients. More...

virtual void	getMixDiffCoeffsMass (doublereal *const d)
	Returns a vector of mixture averaged diffusion coefficients. 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...

Transport Properties
virtual doublereal	viscosity ()

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

Protected Attributes
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...

Transport manager construction
These methods are used during construction.
virtual void	init (thermo_t *thermo, int mode=0, int log_level=0)
	Initialize a transport manager. 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...

void	finalize ()
	Enable the transport object for use. More...

Detailed Description

Base class for transport property managers.

All classes that compute transport properties for a single phase derive from this class. Class Transport is meant to be used as a base class only. It is possible to instantiate it, but its methods throw exceptions if called.

Relationship of the Transport class to the ThermoPhase Class

This section describes how calculations are carried out within the Transport class. The Transport class and derived classes of the the Transport class necessarily use the ThermoPhase class to obtain the list of species and the thermodynamic state of the phase.

No state information is stored within Transport classes. Queries to the underlying ThermoPhase object must be made to obtain the state of the system.

An exception to this however is the state information concerning the the gradients of variables. This information is not stored within the ThermoPhase objects. It may be collected within the Transport objects. In fact, the meaning of const operations within the Transport class refers to calculations which do not change the state of the system nor the state of the first order gradients of the system.

When a const operation is evoked within the Transport class, it is also implicitly assumed that the underlying state within the ThermoPhase object has not changed its values.

Diffusion Fluxes and their Relationship to Reference Velocities

The diffusion fluxes must be referenced to a particular reference fluid velocity. Most typical is to reference the diffusion fluxes to the mass averaged velocity, but referencing to the mole averaged velocity is suitable for some liquid flows, and referencing to a single species is suitable for solid phase transport within a lattice. Currently, the identity of the reference velocity is coded into each transport object as a typedef named VelocityBasis, which is equated to an integer. Negative values of this variable refer to mass or mole-averaged velocities. Zero or positive quantities refers to the reference velocity being referenced to a particular species. Below are the predefined constants for its value.

VB_MASSAVG Diffusion velocities are based on the mass averaged velocity
VB_MOLEAVG Diffusion velocities are based on the mole averaged velocities
VB_SPECIES_0 Diffusion velocities are based on the relative motion wrt species 0
...
VB_SPECIES_3 Diffusion velocities are based on the relative motion wrt species 3

All transport managers specify a default reference velocity in their default constructors. All gas phase transport managers by default specify the mass-averaged velocity as their reference velocities.

Todo:: Provide a general mechanism to store the gradients of state variables within the system.

Definition at line 160 of file TransportBase.h.

Constructor & Destructor Documentation

Transport	(	thermo_t *	thermo = `0`,
		size_t	ndim = `1`
	)

Constructor.

New transport managers should be created using TransportFactory, not by calling the constructor directly.

Parameters

thermo	Pointer to the ThermoPhase class representing this phase.
ndim	Dimension of the flux vector used in the calculation.

See Also: TransportFactory

Definition at line 11 of file TransportBase.cpp.

Referenced by Transport::duplMyselfAsTransport().

Member Function Documentation

Transport * duplMyselfAsTransport ( ) const

virtual

Duplication routine for objects which inherit from Transport.

This virtual routine can be used to duplicate objects derived 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 43 of file TransportBase.cpp.

References Transport::Transport().

virtual int model ( ) const

inlinevirtual

Transport model.

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

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

Definition at line 198 of file TransportBase.h.

Referenced by StFlow::setTransport().

thermo_t& thermo ( )

inline

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 208 of file TransportBase.h.

References Transport::m_thermo.

Referenced by Transport::setThermo().

bool ready ( )

Returns true if the transport manager is ready for use.

Definition at line 48 of file TransportBase.cpp.

References Transport::m_ready.

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

void setNDim ( const int ndim )

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

Parameters

ndim	Number of dimensions in flux expressions

Definition at line 53 of file TransportBase.cpp.

References Transport::m_nDim.

size_t nDim ( ) const

inline

Return the number of dimensions in flux expressions.

Definition at line 224 of file TransportBase.h.

References Transport::m_nDim.

void checkSpeciesIndex ( size_t k ) const

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

Definition at line 58 of file TransportBase.cpp.

References Transport::m_nsp.

void checkSpeciesArraySize ( size_t kk ) const

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 65 of file TransportBase.cpp.

References Transport::m_nsp.

virtual doublereal viscosity ( )

inlinevirtual

The viscosity in Pa-s.

Reimplemented in SimpleTransport, AqueousTransport, LiquidTransport, HighPressureGasTransport, WaterTransport, PecosTransport, and GasTransport.

Definition at line 245 of file TransportBase.h.

Referenced by DustyGasTransport::getMolarFluxes(), and StFlow::updateTransport().

virtual void getSpeciesViscosities ( doublereal *const visc )

inlinevirtual

Returns the pure species viscosities.

The units are Pa-s and the length is the number of species

Parameters

visc	Vector of viscosities

Reimplemented in SimpleTransport, AqueousTransport, LiquidTransport, GasTransport, and PecosTransport.

Definition at line 255 of file TransportBase.h.

virtual doublereal bulkViscosity ( )

inlinevirtual

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.

Definition at line 265 of file TransportBase.h.

virtual doublereal ionConductivity ( )

inlinevirtual

The ionic conductivity in 1/ohm/m.

Reimplemented in LiquidTransport, and SolidTransport.

Definition at line 272 of file TransportBase.h.

virtual void getSpeciesIonConductivity ( doublereal *const ionCond )

inlinevirtual

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 282 of file TransportBase.h.

virtual void mobilityRatio ( double * mobRat )

inlinevirtual

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

Reimplemented in LiquidTransport.

Definition at line 300 of file TransportBase.h.

virtual void getSpeciesMobilityRatio ( double ** mobRat )

inlinevirtual

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 310 of file TransportBase.h.

virtual void selfDiffusion ( doublereal *const selfDiff )

inlinevirtual

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 339 of file TransportBase.h.

virtual void getSpeciesSelfDiffusion ( double ** selfDiff )

inlinevirtual

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 351 of file TransportBase.h.

virtual doublereal thermalConductivity ( )

inlinevirtual

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, PecosTransport, WaterTransport, HighPressureGasTransport, MultiTransport, and SolidTransport.

Definition at line 361 of file TransportBase.h.

Referenced by StFlow::updateTransport().

virtual doublereal electricalConductivity ( )

inlinevirtual

The electrical conductivity (Siemens/m).

Reimplemented in SolidTransport.

Definition at line 368 of file TransportBase.h.

virtual void getMobilities ( doublereal *const mobil_e )

inlinevirtual

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, PecosTransport, MixTransport, and SolidTransport.

Definition at line 388 of file TransportBase.h.

virtual void getFluidMobilities ( doublereal *const mobil_f )

inlinevirtual

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 409 of file TransportBase.h.

virtual doublereal getElectricConduct ( )

inlinevirtual

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 432 of file TransportBase.h.

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

inlinevirtual

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 449 of file TransportBase.h.

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

virtual

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, PecosTransport, MixTransport, and MultiTransport.

Definition at line 113 of file TransportBase.cpp.

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
	)

inlinevirtual

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

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

Reimplemented in LiquidTransport.

Definition at line 503 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
	)

inlinevirtual

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

Parameters

[in]	ndim	Number of dimensions in the flux expressions
[in]	grad_T	Gradient of the temperature (length = ndim)
[in]	ldx	Leading dimension of the grad_X array (usually equal to m_nsp but not always)
[in]	grad_X	Gradients of the mole fraction. Flat vector with the m_nsp in the inner loop. length = ldx * ndim
[in]	ldf	Leading dimension of the fluxes array (usually equal to m_nsp but not always)
[out]	Vdiff	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 528 of file TransportBase.h.

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
	)

inlinevirtual

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

Parameters

[in]	ndim	Number of dimensions in the flux expressions
[in]	grad_T	Gradient of the temperature (length = ndim)
[in]	ldx	Leading dimension of the grad_X array (usually equal to m_nsp but not always)
[in]	grad_X	Gradients of the mole fraction. Flat vector with the m_nsp in the inner loop. length = ldx * ndim.
[in]	ldf	Leading dimension of the fluxes array (usually equal to m_nsp but not always)
[in]	grad_Phi	Gradients of the electrostatic potential (length = ndim)
[out]	Vdiff	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 555 of file TransportBase.h.

References Transport::getSpeciesVdiff().

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

inlinevirtual

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

Parameters

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

Reimplemented in DustyGasTransport, and MultiTransport.

Definition at line 578 of file TransportBase.h.

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

inlinevirtual

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

Parameters

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

Reimplemented in MultiTransport.

Definition at line 597 of file TransportBase.h.

virtual void getThermalDiffCoeffs ( doublereal *const dt )

inlinevirtual

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, PecosTransport, HighPressureGasTransport, and MultiTransport.

Definition at line 619 of file TransportBase.h.

Referenced by StFlow::updateTransport().

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

inlinevirtual

Returns the matrix of binary diffusion coefficients [m^2/s].

Parameters

[in]	ld	Inner stride for writing the two dimension diffusion coefficients into a one dimensional vector
[out]	d	Diffusion coefficient matrix (must be at least m_k * m_k in length.

Reimplemented in SimpleTransport, LiquidTransport, AqueousTransport, PecosTransport, HighPressureGasTransport, and GasTransport.

Definition at line 630 of file TransportBase.h.

Referenced by DustyGasTransport::updateBinaryDiffCoeffs().

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

inlinevirtual

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

[in]	ld	The dimension of the inner loop of d (usually equal to m_nsp)
[out]	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, HighPressureGasTransport, and MultiTransport.

Definition at line 645 of file TransportBase.h.

Referenced by StFlow::updateTransport().

virtual void getMixDiffCoeffs ( doublereal *const d )

inlinevirtual

Returns a vector of mixture averaged diffusion coefficients.

Mixture-averaged diffusion coefficients [m^2/s]. If the transport manager implements a mixture-averaged diffusion model, then this method returns the array of mixture-averaged diffusion coefficients. Otherwise it throws an exception.

Parameters

d	Return vector of mixture averaged diffusion coefficients Units = m2/s. Length = n_sp

Reimplemented in LiquidTransport, SimpleTransport, AqueousTransport, PecosTransport, SolidTransport, and GasTransport.

Definition at line 659 of file TransportBase.h.

Referenced by StFlow::updateTransport().

virtual void getMixDiffCoeffsMole ( doublereal *const d )

inlinevirtual

Returns a vector of mixture averaged diffusion coefficients.

Reimplemented in PecosTransport, and GasTransport.

Definition at line 664 of file TransportBase.h.

virtual void getMixDiffCoeffsMass ( doublereal *const d )

inlinevirtual

Returns a vector of mixture averaged diffusion coefficients.

Reimplemented in PecosTransport, and GasTransport.

Definition at line 669 of file TransportBase.h.

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

virtual

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

Deprecated:

Reimplemented in DustyGasTransport, and SolidTransport.

Definition at line 72 of file TransportBase.cpp.

void setVelocityBasis ( VelocityBasis ivb )

inline

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 699 of file TransportBase.h.

References Transport::m_velocityBasis.

VelocityBasis getVelocityBasis ( ) const

inline

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 711 of file TransportBase.h.

References Transport::m_velocityBasis.

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

inlinevirtual

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 in MixTransport, MultiTransport, and GasTransport.

Definition at line 731 of file TransportBase.h.

Referenced by TransportFactory::initTransport(), and TransportFactory::newTransport().

virtual bool initLiquid ( LiquidTransportParams & tr )

inlinevirtual

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 743 of file TransportBase.h.

Referenced by TransportFactory::initLiquidTransport().

virtual bool initSolid ( SolidTransportData & tr )

inlinevirtual

Called by TransportFactory to set parameters.

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

Parameters

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

Reimplemented in SolidTransport.

Definition at line 755 of file TransportBase.h.

Referenced by TransportFactory::initSolidTransport().

void setThermo ( thermo_t & thermo )

virtual

Specifies the ThermoPhase object.

We have relaxed this operation so that it will succeed when the underlying old and new ThermoPhase objects have the same number of species and the same names of the species in the same order. The idea here is to allow copy constructors and duplicators to work. In order for them to work, we need a method to switch the internal pointer within the Transport object after the duplication takes place. Also, different thermodynamic instantiations of the same species should also work.

Parameters

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

Reimplemented in DustyGasTransport.

Definition at line 78 of file TransportBase.cpp.

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

Referenced by TransportFactory::newTransport(), and DustyGasTransport::setThermo().

void finalize ( )

protected

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 104 of file TransportBase.cpp.

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