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.

virtual	~Transport ()
	Destructor.

	Transport (const Transport &right)
	Copy Constructor for the Transport object.

Transport &	operator= (const Transport &right)
	Assignment operator.

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

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

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

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

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

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	viscosity ()
	The viscosity in Pa-s.

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

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

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
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.

Private Member Functions
doublereal	err (std::string msg) const
	Error routine.

Friends
class	TransportFactory

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.

Note, transport properties for multiphase situations have yet to be fully developed within Cantera.

All member functions are virtual, unless otherwise stated.

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 172 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 32 of file TransportBase.cpp.

Referenced by Transport::duplMyselfAsTransport().

~Transport ( )

virtual

Destructor.

Definition at line 71 of file TransportBase.cpp.

Transport ( const Transport & right )

Copy Constructor for the Transport object.

Parameters

right Transport to be copied

Definition at line 41 of file TransportBase.cpp.

References Transport::m_nDim, Transport::m_nsp, Transport::m_ready, Transport::m_thermo, and Transport::m_velocityBasis.

Member Function Documentation

Transport & operator= ( const Transport & right )

Assignment operator.

This is NOT a virtual function.

Parameters

right Reference to Transport object to be copied into the current one.

Definition at line 51 of file TransportBase.cpp.

References Transport::m_nDim, Transport::m_nsp, Transport::m_ready, Transport::m_thermo, and Transport::m_velocityBasis.

Referenced by SolidTransport::operator=(), WaterTransport::operator=(), DustyGasTransport::operator=(), LiquidTransport::operator=(), and SimpleTransport::operator=().

Transport * duplMyselfAsTransport ( ) const

virtual

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

inlinevirtual

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 ( )

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 239 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 75 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.

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

inline

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

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

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 viscosity ( )

inlinevirtual

The viscosity in Pa-s.

Reimplemented in SimpleTransport, LiquidTransport, AqueousTransport, WaterTransport, FtnTransport, and GasTransport.

Definition at line 283 of file TransportBase.h.

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

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

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].

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

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).

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

Public Member Functions

Protected Member Functions

Protected Attributes

Private Member Functions

Friends

Detailed Description

Relationship of the Transport class to the ThermoPhase Class

Diffusion Fluxes and their Relationship to Reference Velocities

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation