Class SolidTransport implements transport properties for solids. More...

#include <SolidTransport.h>

Inheritance diagram for SolidTransport:

Collaboration diagram for SolidTransport:

Public Member Functions
virtual std::string	transportType () const
	Identifies the Transport object type. More...

virtual doublereal	ionConductivity ()
	Returns the ionic conductivity of the phase. More...

virtual doublereal	thermalConductivity ()
	Returns the thermal conductivity of the phase. More...

virtual doublereal	electricalConductivity ()
	Returns the electron conductivity of the phase. More...

virtual doublereal	defectDiffusivity ()

virtual doublereal	defectActivity ()
	The activity of defects in the solid. More...

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

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

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

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

	Transport (const Transport &)=delete

Transport &	operator= (const Transport &)=delete

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. More...

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

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

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

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

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

Protected Member Functions
virtual bool	initSolid (SolidTransportData &tr)
	Initialize the transport object. More...

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

Private Attributes
LTPspecies *	m_ionConductivity
	Model type for the ionic conductivity. More...

LTPspecies *	m_thermalConductivity
	Model type for the thermal conductivity. More...

LTPspecies *	m_electConductivity
	Model type for the electrical conductivity. More...

LTPspecies *	m_defectDiffusivity
	Model type for the defectDiffusivity – or more like a defect diffusivity in the context of the solid phase. More...

LTPspecies *	m_defectActivity
	Model type for the defectActivity. More...

size_t	m_nmobile
	number of mobile species More...

vector_fp	m_Adiff
	Coefficient for the diffusivity of species within a solid. More...

vector_fp	m_Ndiff
	Temperature power coefficient for the diffusivity of species in a solid. More...

vector_fp	m_Ediff
	Arrhenius factor for the species diffusivities of a solid. More...

vector_int	m_sp
	Index of mobile species to global species. More...

doublereal	m_Alam
	Coefficient for the thermal conductivity of a solid. More...

doublereal	m_Nlam
	Temperature power coefficient for the thermal conductivity of a solid. More...

doublereal	m_Elam
	Arrhenius factor for the thermal conductivity of a solid. More...

vector_fp	m_work
	extra fp array of length nSpecies() More...

Friends
class	TransportFactory

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

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

size_t	m_nsp
	Number of species. More...

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

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

Detailed Description

Class SolidTransport implements transport properties for solids.

Deprecated:: To be removed after Cantera 2.4

Attention: This class currently does not have any test cases or examples. Its implementation may be incomplete, and future changes to Cantera may unexpectedly cause this class to stop working. If you use this class, please consider contributing examples or test cases. In the absence of new tests or examples, this class may be deprecated and removed in a future version of Cantera. See https://github.com/Cantera/cantera/issues/267 for additional information.

Definition at line 32 of file SolidTransport.h.

Member Function Documentation

◆ transportType()

virtual std::string transportType ( ) const

inlinevirtual

Identifies the Transport object type.

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

Reimplemented from Transport.

Definition at line 37 of file SolidTransport.h.

◆ ionConductivity()

doublereal ionConductivity ( )

virtual

Returns the ionic conductivity of the phase.

The thermo phase needs to be updated (temperature) prior to calling this. The ionConductivity calculation is handled by subclasses of LTPspecies as specified in the input file.

Reimplemented from Transport.

Definition at line 69 of file SolidTransport.cpp.

References LTPspecies::getSpeciesTransProp(), and SolidTransport::m_ionConductivity.

◆ thermalConductivity()

doublereal thermalConductivity ( )

virtual

Returns the thermal conductivity of the phase.

The thermo phase needs to be updated (temperature) prior to calling this. The thermalConductivity calculation is handled by subclasses of LTPspecies as specified in the input file.

There is also a legacy method to evaluate

\[ \lambda = A T^n \exp(-E/RT) \]

Reimplemented from Transport.

Definition at line 92 of file SolidTransport.cpp.

References LTPspecies::getSpeciesTransProp(), SolidTransport::m_Alam, SolidTransport::m_Elam, SolidTransport::m_Nlam, SolidTransport::m_thermalConductivity, Transport::m_thermo, and Phase::temperature().

◆ electricalConductivity()

doublereal electricalConductivity ( )

virtual

Returns the electron conductivity of the phase.

The thermo phase needs to be updated (temperature) prior to calling this. The ionConductivity calculation is handled by subclasses of LTPspecies as specified in the input file.

There is also a legacy multicomponent diffusion approach to electrical conductivity.

Reimplemented from Transport.

Definition at line 75 of file SolidTransport.cpp.

References Phase::charge(), SolidTransport::getMobilities(), LTPspecies::getSpeciesTransProp(), SolidTransport::m_electConductivity, SolidTransport::m_nmobile, Transport::m_thermo, SolidTransport::m_work, Phase::molarDensity(), Phase::moleFraction(), and Phase::nSpecies().

◆ defectDiffusivity()

doublereal defectDiffusivity ( )

virtual

The diffusivity of defects in the solid (m^2/s). The thermo phase needs to be updated (temperature) prior to calling this. The defectDiffusivity calculation is handled by subclasses of LTPspecies as specified in the input file.

Definition at line 104 of file SolidTransport.cpp.

References LTPspecies::getSpeciesTransProp(), and SolidTransport::m_defectDiffusivity.

◆ defectActivity()

doublereal defectActivity ( )

virtual

The activity of defects in the solid.

At some point this should be variable and the diffusion coefficient should depend on it.

The thermo phase needs to be updated (temperature) prior to calling this. The defectActivity calculation is handled by subclasses of LTPspecies as specified in the input file.

Definition at line 110 of file SolidTransport.cpp.

References LTPspecies::getSpeciesTransProp(), and SolidTransport::m_defectActivity.

◆ getMixDiffCoeffs()

void getMixDiffCoeffs ( doublereal *const d )

virtual

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 from Transport.

Definition at line 126 of file SolidTransport.cpp.

References Transport::m_thermo, and Phase::nSpecies().

Referenced by SolidTransport::getMobilities().

◆ getMobilities()

void getMobilities ( doublereal *const mobil_e )

virtual

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 from Transport.

Definition at line 116 of file SolidTransport.cpp.

References Cantera::Boltzmann, SolidTransport::getMixDiffCoeffs(), Transport::m_thermo, Phase::nSpecies(), and Phase::temperature().

Referenced by SolidTransport::electricalConductivity().

◆ setParameters()

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

Reimplemented from Transport.

Definition at line 45 of file SolidTransport.cpp.

References SolidTransport::m_Adiff, SolidTransport::m_Alam, SolidTransport::m_Ediff, SolidTransport::m_Elam, SolidTransport::m_Ndiff, SolidTransport::m_Nlam, SolidTransport::m_nmobile, SolidTransport::m_sp, Transport::m_thermo, SolidTransport::m_work, and Phase::nSpecies().

◆ initSolid()

bool initSolid ( SolidTransportData & tr )

protectedvirtual

Initialize the transport object.

Here we change all of the internal dimensions to be sufficient. We get the object ready to do property evaluations. A lot of the input required to do property evaluations is contained in the SolidTransportParams class that is filled in TransportFactory.

Parameters