Base class for transport property managers. More...

#include <Transport.h>

Inheritance diagram for Transport:

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.

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

Definition at line 71 of file Transport.h.

Public Member Functions
	Transport ()=default
	Constructor.

	Transport (const Transport &)=delete

Transport &	operator= (const Transport &)=delete

virtual string	transportModel () const
	Identifies the model represented by this Transport object.

ThermoPhase &	thermo ()
	Phase object.

void	checkSpeciesIndex (size_t k) const
	Check that the specified species index is in range.

void	checkSpeciesArraySize (size_t kk) const
	Check that an array size is at least m_nsp.

virtual void	getSpeciesFluxes (size_t ndim, const double const grad_T, size_t ldx, const double const grad_X, size_t ldf, double *const fluxes)
	Get the species diffusive mass fluxes [kg/m²/s] with respect to the specified solution averaged velocity, given the mole fraction and temperature gradients.

virtual void	getMolarFluxes (const double const state1, const double const state2, const double delta, double *const cfluxes)
	Get the molar fluxes [kmol/m²/s], given the thermodynamic state at two nearby points.

virtual void	getMassFluxes (const double state1, const double state2, double delta, double *mfluxes)
	Get the mass fluxes [kg/m²/s], given the thermodynamic state at two nearby points.

virtual void	getThermalDiffCoeffs (double *const dt)
	Return a vector of thermal diffusion coefficients [kg/m/s].

virtual void	getBinaryDiffCoeffs (const size_t ld, double *const d)
	Returns the matrix of binary diffusion coefficients [m²/s].

virtual void	getMultiDiffCoeffs (const size_t ld, double *const d)
	Return the multicomponent diffusion coefficients [m²/s].

virtual void	getMixDiffCoeffs (double *const d)
	Return a vector of mixture averaged diffusion coefficients [m²/s].

virtual void	getMixDiffCoeffsMole (double *const d)
	Returns a vector of mixture averaged diffusion coefficients [m²/s].

virtual void	getMixDiffCoeffsMass (double *const d)
	Returns a vector of mixture averaged diffusion coefficients [m²/s].

virtual void	getViscosityPolynomial (size_t i, double *coeffs) const
	Return the polynomial fits to the viscosity of species `i`.

virtual void	getConductivityPolynomial (size_t i, double *coeffs) const
	Return the temperature fits of the heat conductivity of species `i`.

virtual void	getBinDiffusivityPolynomial (size_t i, size_t j, double *coeffs) const
	Return the polynomial fits to the binary diffusivity of species pair (i, j)

virtual void	getCollisionIntegralPolynomial (size_t i, size_t j, double astar_coeffs, double bstar_coeffs, double *cstar_coeffs) const
	Return the polynomial fits to the collision integral of species pair (i, j)

virtual void	setViscosityPolynomial (size_t i, double *coeffs)
	Modify the polynomial fits to the viscosity of species `i`

virtual void	setConductivityPolynomial (size_t i, double *coeffs)
	Modify the temperature fits of the heat conductivity of species `i`

virtual void	setBinDiffusivityPolynomial (size_t i, size_t j, double *coeffs)
	Modify the polynomial fits to the binary diffusivity of species pair (i, j)

virtual void	setCollisionIntegralPolynomial (size_t i, size_t j, double astar_coeffs, double bstar_coeffs, double *cstar_coeffs, bool flag)
	Modify the polynomial fits to the collision integral of species pair (i, j)

AnyMap	parameters () const
	Return the parameters for a phase definition which are needed to reconstruct an identical object using the newTransport() function.

AnyMap	fittingErrors () const
	Get error metrics about any functional fits calculated for pure species transport properties.

virtual void	invalidateCache ()
	Invalidate any cached values which are normally updated only when a change in state is detected.

Transport Properties
virtual double	viscosity ()
	Get the dynamic viscosity [Pa·s].

virtual void	getSpeciesViscosities (double *const visc)
	Get the pure species viscosities [Pa·s].

virtual double	bulkViscosity ()
	The bulk viscosity [Pa·s].

virtual double	thermalConductivity ()
	Get the mixture thermal conductivity [W/m/K].

virtual double	electricalConductivity ()
	Get the electrical conductivity [siemens/m].

virtual void	getMobilities (double *const mobil_e)
	Get the electrical mobilities [m²/V/s].

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

virtual bool	CKMode () const
	Boolean indicating the form of the transport properties polynomial fits.

Protected Attributes
ThermoPhase *	m_thermo
	pointer to the object representing the phase

size_t	m_nsp = 0
	Number of species in the phase.

AnyMap	m_fittingErrors
	Maximum errors associated with fitting pure species transport properties.

Constructor & Destructor Documentation

◆ Transport()

Transport ( )

default

Constructor.

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

See also: TransportFactory

◆ ~Transport()

virtual ~Transport ( )

inlinevirtual

Definition at line 83 of file Transport.h.

Member Function Documentation

◆ transportModel()

virtual string transportModel ( ) const

inlinevirtual

Identifies the model represented by this Transport object.

Each derived class should override this method to return a meaningful identifier.

Since: New in Cantera 3.0. The name returned by this method corresponds to the canonical name used in the YAML input format.

Reimplemented in DustyGasTransport, HighPressureGasTransport, ChungHighPressureGasTransport, IonGasTransport, MixTransport, MultiTransport, UnityLewisTransport, and WaterTransport.

Definition at line 93 of file Transport.h.

◆ thermo()

ThermoPhase & 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 103 of file Transport.h.

◆ checkSpeciesIndex()

void checkSpeciesIndex ( size_t k ) const

Check that the specified species index is in range.

Throws an exception if k is greater than m_nsp.

Definition at line 16 of file Transport.cpp.

◆ checkSpeciesArraySize()

void checkSpeciesArraySize ( size_t kk ) const

Check that an array size is at least m_nsp.

Throws an exception if kk is less than m_nsp. Used before calls which take an array pointer.

Definition at line 23 of file Transport.cpp.

◆ viscosity()

virtual double viscosity ( )

inlinevirtual

Get the dynamic viscosity [Pa·s].

Reimplemented in GasTransport, HighPressureGasTransport, ChungHighPressureGasTransport, IonGasTransport, and WaterTransport.

Definition at line 120 of file Transport.h.

◆ getSpeciesViscosities()

virtual void getSpeciesViscosities ( double *const visc )

inlinevirtual

Get the pure species viscosities [Pa·s].

Parameters

visc	Vector of viscosities; length is the number of species

Reimplemented in GasTransport.

Definition at line 129 of file Transport.h.

◆ bulkViscosity()

virtual double bulkViscosity ( )

inlinevirtual

The bulk viscosity [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 140 of file Transport.h.

◆ thermalConductivity()

virtual double thermalConductivity ( )

inlinevirtual

Get the mixture thermal conductivity [W/m/K].

Reimplemented in HighPressureGasTransport, ChungHighPressureGasTransport, IonGasTransport, MixTransport, MultiTransport, and WaterTransport.

Definition at line 146 of file Transport.h.

◆ electricalConductivity()

virtual double electricalConductivity ( )

inlinevirtual

Get the electrical conductivity [siemens/m].

Reimplemented in IonGasTransport.

Definition at line 152 of file Transport.h.

◆ getMobilities()

virtual void getMobilities ( double *const mobil_e )

inlinevirtual

Get the electrical mobilities [m²/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 IonGasTransport, and MixTransport.

Definition at line 173 of file Transport.h.

◆ getSpeciesFluxes()

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

inlinevirtual

Get the species diffusive mass fluxes [kg/m²/s] with respect to the specified solution averaged velocity, given the mole fraction and temperature gradients.

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
[in]	grad_T	Gradient of the temperature (length `ndim`)
	ldx	Leading dimension of the `grad_X` array (usually equal to the number of species)
[in]	grad_X	Gradients of the mole fractions; flattened matrix such that \( dX_k/dx_n = \tt{ grad\_X[nldx+k]} \) is the gradient of species k in dimension n. Length is `ldx` `ndim`.
	ldf	Leading dimension of the `fluxes` array (usually equal to the number of species)
[out]	fluxes	The diffusive mass fluxes; flattened matrix such that \( j_{kn} = \tt{ fluxes[nldf+k]} \) is the flux of species k in dimension n. Length is `ldf` `ndim`.

Reimplemented in MixTransport, and MultiTransport.

Definition at line 199 of file Transport.h.

◆ getMolarFluxes()

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

inlinevirtual

Get the molar fluxes [kmol/m²/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 [m] from state 1 to state 2.
[out]	cfluxes	Array containing the diffusive molar fluxes of species from `state1` to `state2`; Length is number of species.

Reimplemented in DustyGasTransport, and MultiTransport.

Definition at line 217 of file Transport.h.

◆ getMassFluxes()

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

inlinevirtual

Get the mass fluxes [kg/m²/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 [m] from state 1 to state 2.
[out]	mfluxes	Array containing the diffusive mass fluxes of species from `state1` to `state2`; length is number of species.

Reimplemented in MultiTransport.

Definition at line 235 of file Transport.h.

◆ getThermalDiffCoeffs()

virtual void getThermalDiffCoeffs ( double *const dt )

inlinevirtual

Return a vector of thermal diffusion coefficients [kg/m/s].

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:

\[ \mathbf{j}_k = -D^T_k \frac{\nabla T}{T}. \]

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.

Reimplemented in MixTransport, MultiTransport, and UnityLewisTransport.

Definition at line 257 of file Transport.h.

◆ getBinaryDiffCoeffs()

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

inlinevirtual

Returns the matrix of binary diffusion coefficients [m²/s].

Parameters

[in]	ld	Leading dimension of the flattened array `d` used to store the diffusion coefficient matrix; usually equal to the number of species.
[out]	d	Diffusion coefficient matrix stored in column-major (Fortran) order, such that \( \mathcal{D}_{ij} = \tt{d[ld*j + i]} \); must be at least `ld` times the number of species in length.

See also: GasTransport::fitDiffCoeffs()

Reimplemented in GasTransport, and HighPressureGasTransportBase.

Definition at line 272 of file Transport.h.

◆ getMultiDiffCoeffs()

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

inlinevirtual

Return the multicomponent diffusion coefficients [m²/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	Leading dimension of the flattened array `d` used to store the diffusion coefficient matrix; usually equal to the number of species.
[out]	d	Diffusion coefficient matrix stored in column-major (Fortran) order, such that \( D_{ij} = \tt{d[ld*j + i]} \) is the diffusion coefficient for species i due to concentration gradients in species j; must be at least `ld` times the number of species in length.

Reimplemented in DustyGasTransport, and MultiTransport.

Definition at line 292 of file Transport.h.

◆ getMixDiffCoeffs()

virtual void getMixDiffCoeffs ( double *const d )

inlinevirtual

Return a vector of mixture averaged diffusion coefficients [m²/s].

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; length is the number of species.

Reimplemented in GasTransport, HighPressureGasTransportBase, IonGasTransport, and UnityLewisTransport.

Definition at line 307 of file Transport.h.

◆ getMixDiffCoeffsMole()

virtual void getMixDiffCoeffsMole ( double *const d )

inlinevirtual

Returns a vector of mixture averaged diffusion coefficients [m²/s].

Reimplemented in GasTransport, HighPressureGasTransportBase, and UnityLewisTransport.

Definition at line 313 of file Transport.h.

◆ getMixDiffCoeffsMass()

virtual void getMixDiffCoeffsMass ( double *const d )

inlinevirtual

Returns a vector of mixture averaged diffusion coefficients [m²/s].

Reimplemented in GasTransport, HighPressureGasTransportBase, and UnityLewisTransport.

Definition at line 319 of file Transport.h.

◆ getViscosityPolynomial()

virtual void getViscosityPolynomial	(	size_t	i,
		double *	coeffs
	)		const

inlinevirtual

Return the polynomial fits to the viscosity of species i.

Reimplemented in GasTransport.

Definition at line 325 of file Transport.h.

◆ getConductivityPolynomial()

virtual void getConductivityPolynomial	(	size_t	i,
		double *	coeffs
	)		const

inlinevirtual

Return the temperature fits of the heat conductivity of species i.

Reimplemented in GasTransport.

Definition at line 331 of file Transport.h.

◆ getBinDiffusivityPolynomial()

virtual void getBinDiffusivityPolynomial	(	size_t	i,
		size_t	j,
		double *	coeffs
	)		const

inlinevirtual

Return the polynomial fits to the binary diffusivity of species pair (i, j)

Reimplemented in GasTransport.

Definition at line 337 of file Transport.h.

◆ getCollisionIntegralPolynomial()

virtual void getCollisionIntegralPolynomial	(	size_t	i,
		size_t	j,
		double *	astar_coeffs,
		double *	bstar_coeffs,
		double *	cstar_coeffs
	)		const

inlinevirtual

Return the polynomial fits to the collision integral of species pair (i, j)

Reimplemented in GasTransport.

Definition at line 343 of file Transport.h.

◆ setViscosityPolynomial()

virtual void setViscosityPolynomial	(	size_t	i,
		double *	coeffs
	)

inlinevirtual

Modify the polynomial fits to the viscosity of species i

Reimplemented in GasTransport.

Definition at line 352 of file Transport.h.

◆ setConductivityPolynomial()

virtual void setConductivityPolynomial	(	size_t	i,
		double *	coeffs
	)

inlinevirtual

Modify the temperature fits of the heat conductivity of species i

Reimplemented in GasTransport.

Definition at line 358 of file Transport.h.

◆ setBinDiffusivityPolynomial()

virtual void setBinDiffusivityPolynomial	(	size_t	i,
		size_t	j,
		double *	coeffs
	)

inlinevirtual

Modify the polynomial fits to the binary diffusivity of species pair (i, j)

Reimplemented in GasTransport.

Definition at line 364 of file Transport.h.

◆ setCollisionIntegralPolynomial()

virtual void setCollisionIntegralPolynomial	(	size_t	i,
		size_t	j,
		double *	astar_coeffs,
		double *	bstar_coeffs,
		double *	cstar_coeffs,
		bool	flag
	)

inlinevirtual

Modify the polynomial fits to the collision integral of species pair (i, j)

Reimplemented in GasTransport.

Definition at line 370 of file Transport.h.

◆ parameters()

AnyMap parameters ( ) const

Return the parameters for a phase definition which are needed to reconstruct an identical object using the newTransport() function.

This excludes the individual species transport properties, which are handled separately.

Definition at line 30 of file Transport.cpp.

◆ fittingErrors()

AnyMap fittingErrors ( ) const

inline

Get error metrics about any functional fits calculated for pure species transport properties.

See GasTransport::fitDiffCoeffs and GasTransport::fitProperties.

Warning: This method is an experimental part of the Cantera API and may be changed or removed without notice.

Since: New in Cantera 3.1.

Definition at line 392 of file Transport.h.

◆ init()

virtual void init	(	ThermoPhase *	thermo,
		int	mode = `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.

Reimplemented in IonGasTransport, GasTransport, HighPressureGasTransport, ChungHighPressureGasTransport, MixTransport, MultiTransport, and WaterTransport.

Definition at line 408 of file Transport.h.

◆ CKMode()

virtual bool CKMode ( ) const

inlinevirtual

Boolean indicating the form of the transport properties polynomial fits.

Returns true if the Chemkin form is used.

Reimplemented in GasTransport.

Definition at line 412 of file Transport.h.

◆ invalidateCache()

virtual void invalidateCache ( )

inlinevirtual

Invalidate any cached values which are normally updated only when a change in state is detected.

Since: New in Cantera 3.1.

Reimplemented in GasTransport, and MultiTransport.

Definition at line 422 of file Transport.h.

Member Data Documentation

◆ m_thermo

ThermoPhase* m_thermo

protected

pointer to the object representing the phase

Definition at line 426 of file Transport.h.

◆ m_nsp

size_t m_nsp = 0

protected

Number of species in the phase.

Definition at line 429 of file Transport.h.

◆ m_fittingErrors

AnyMap m_fittingErrors

protected

Maximum errors associated with fitting pure species transport properties.

Definition at line 432 of file Transport.h.

The documentation for this class was generated from the following files:

Detailed Description

Relationship of the Transport class to the ThermoPhase Class

Public Member Functions

Protected Attributes

Constructor & Destructor Documentation

◆ Transport()

◆ ~Transport()

Member Function Documentation

◆ transportModel()

◆ thermo()

◆ checkSpeciesIndex()

◆ checkSpeciesArraySize()

◆ viscosity()

◆ getSpeciesViscosities()

◆ bulkViscosity()

◆ thermalConductivity()

◆ electricalConductivity()

◆ getMobilities()

◆ getSpeciesFluxes()

◆ getMolarFluxes()

◆ getMassFluxes()

◆ getThermalDiffCoeffs()

◆ getBinaryDiffCoeffs()

◆ getMultiDiffCoeffs()

◆ getMixDiffCoeffs()

◆ getMixDiffCoeffsMole()

◆ getMixDiffCoeffsMass()

◆ getViscosityPolynomial()

◆ getConductivityPolynomial()

◆ getBinDiffusivityPolynomial()

◆ getCollisionIntegralPolynomial()

◆ setViscosityPolynomial()

◆ setConductivityPolynomial()

◆ setBinDiffusivityPolynomial()

◆ setCollisionIntegralPolynomial()

◆ parameters()

◆ fittingErrors()

◆ init()

◆ CKMode()

◆ invalidateCache()

Member Data Documentation

◆ m_thermo

◆ m_nsp

◆ m_fittingErrors