WaterTransport Class Reference

Transport Parameters for pure water. More...

#include <WaterTransport.h>

Inheritance diagram for WaterTransport:

Collaboration diagram for WaterTransport:

Public Member Functions
	WaterTransport (thermo_t *thermo=0, int ndim=1)
	default constructor
	WaterTransport (const WaterTransport &right)
	Copy Constructor for the LiquidThermo object.
WaterTransport &	operator= (const WaterTransport &right)
	Assignment operator.
virtual Transport *	duplMyselfAsTransport () const
	Duplication routine for objects which inherit from Transport.
virtual	~WaterTransport ()
	virtual destructor
virtual int	model () const
	Return the model id for this transport parameterization.
virtual doublereal	viscosity ()
	Returns the viscosity of water at the current conditions (kg/m/s)
virtual doublereal	bulkViscosity ()
	The bulk viscosity in Pa-s.
virtual doublereal	thermalConductivity ()
	Returns the thermal conductivity of water at the current conditions (W/m/K)
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 void	getSpeciesViscosities (doublereal *const visc)
	Returns the pure species viscosities.
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	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
void	initTP ()
	Routine to do some common initializations at the start of using this routine.

Private Attributes
WaterPropsIAPWS *	m_sub
	Pointer to the WaterPropsIAPWS object, which does the actual calculations for the real equation of state.
WaterProps *	m_waterProps
	Pointer to the WaterProps object.
PDSS_Water *	m_waterPDSS
	Pressure dependent standard state object for water.

Detailed Description

Transport Parameters for pure water.

Definition at line 43 of file WaterTransport.h.

Constructor & Destructor Documentation

WaterTransport	(	thermo_t *	thermo = 0,
		int	ndim = 1
	)

default constructor

Parameters

thermo	ThermoPhase object that represents the phase. Defaults to zero
ndim	Number of dimensions of the flux expressions. Defaults to a value of one.

Definition at line 21 of file WaterTransport.cpp.

References WaterTransport::initTP().

Referenced by WaterTransport::duplMyselfAsTransport().

WaterTransport

(

const WaterTransport &

right

)

Copy Constructor for the LiquidThermo object.

Parameters

right

ThermoPhase to be copied

Definition at line 31 of file WaterTransport.cpp.

~WaterTransport ( )

virtual

virtual destructor

Definition at line 74 of file WaterTransport.cpp.

Member Function Documentation

WaterTransport & operator=

(

const WaterTransport &

right

)

Assignment operator.

This is NOT a virtual function.

Parameters

right

Reference to ThermoPhase object to be copied into the current one.

Definition at line 43 of file WaterTransport.cpp.

References WaterTransport::initTP(), and Transport::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 from Transport.

Definition at line 66 of file WaterTransport.cpp.

References WaterTransport::WaterTransport().

virtual int model ( ) const

inlinevirtual

Return the model id for this transport parameterization.

Reimplemented from Transport.

Definition at line 88 of file WaterTransport.h.

doublereal viscosity ( )

virtual

Returns the viscosity of water at the current conditions (kg/m/s)

This function calculates the value of the viscosity of pure water at the current T and P.

The formulas used are from the paper

J. V. Sengers, J. T. R. Watson, "Improved International Formulations for the Viscosity and Thermal Conductivity of Water Substance", J. Phys. Chem. Ref. Data, 15, 1291 (1986).

The formulation is accurate for all temperatures and pressures, for steam and for water, even near the critical point. Pressures above 500 MPa and temperature above 900 C are suspect.

Reimplemented from Transport.

Definition at line 128 of file WaterTransport.cpp.

References WaterTransport::m_waterProps, and WaterProps::viscosityWater().

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 from Transport.

Definition at line 118 of file WaterTransport.h.

doublereal thermalConductivity ( )

virtual

Returns the thermal conductivity of water at the current conditions (W/m/K)

This function calculates the value of the thermal conductivity of water at the current T and P.

The formulas used are from the paper J. V. Sengers, J. T. R. Watson, "Improved International Formulations for the Viscosity and Thermal Conductivity of Water Substance", J. Phys. Chem. Ref. Data, 15, 1291 (1986).

The formulation is accurate for all temperatures and pressures, for steam and for water, even near the critical point. Pressures above 500 MPa and temperature above 900 C are suspect.

Reimplemented from Transport.

Definition at line 149 of file WaterTransport.cpp.

References WaterTransport::m_waterProps, and WaterProps::thermalConductivityWater().

void initTP ( )

private

Routine to do some common initializations at the start of using this routine.

Definition at line 80 of file WaterTransport.cpp.

References AssertTrace, PDSS_Water::getWater(), WaterSSTP::getWater(), PDSS_Water::getWaterProps(), WaterSSTP::getWaterProps(), WaterTransport::m_sub, Transport::m_thermo, WaterTransport::m_waterPDSS, and WaterTransport::m_waterProps.

Referenced by WaterTransport::operator=(), and WaterTransport::WaterTransport().

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 void getSpeciesViscosities ( doublereal *const  visc )

inlinevirtualinherited

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, LiquidTransport, AqueousTransport, and GasTransport.

Definition at line 293 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 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 getBinaryDiffCoeffs ( const size_t  ld, doublereal *const  d  )

inlinevirtualinherited

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

Parameters

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.

Reimplemented in SimpleTransport, LiquidTransport, AqueousTransport, and GasTransport.

Definition at line 705 of file TransportBase.h.

References Transport::err().

Referenced by DustyGasTransport::updateBinaryDiffCoeffs().

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().

virtual void getMixDiffCoeffs ( doublereal *const  d )

inlinevirtualinherited

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, FtnTransport, GasTransport, and SolidTransport.

Definition at line 738 of file TransportBase.h.

References Transport::err().

Referenced by StFlow::updateTransport().

virtual void getMixDiffCoeffsMole ( doublereal *const  d )

inlinevirtualinherited

Returns a vector of mixture averaged diffusion coefficients.

Reimplemented in GasTransport.

Definition at line 744 of file TransportBase.h.

References Transport::err().

virtual void getMixDiffCoeffsMass ( doublereal *const  d )

inlinevirtualinherited

Returns a vector of mixture averaged diffusion coefficients.

Reimplemented in GasTransport.

Definition at line 749 of file TransportBase.h.

References Transport::err().

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 initGas ( GasTransportParams &  tr )

inlineprotectedvirtualinherited

Called by TransportFactory to set parameters.

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 in MixTransport, MultiTransport, and GasTransport.

Definition at line 819 of file TransportBase.h.

References Transport::err().

Referenced by TransportFactory::initTransport().

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

WaterPropsIAPWS* m_sub

mutableprivate

Pointer to the WaterPropsIAPWS object, which does the actual calculations for the real equation of state.

This object owns m_sub

Definition at line 152 of file WaterTransport.h.

Referenced by WaterTransport::initTP().

WaterProps* m_waterProps

private

Pointer to the WaterProps object.

This class is used to house several approximation routines for properties of water.

This object owns m_waterProps, and the WaterPropsIAPWS object used by WaterProps is m_sub, which is defined above.

Definition at line 162 of file WaterTransport.h.

Referenced by WaterTransport::initTP(), WaterTransport::thermalConductivity(), and WaterTransport::viscosity().

PDSS_Water* m_waterPDSS

private

Pressure dependent standard state object for water.

We assume that species 0 is water, with a PDSS_Water object.

Definition at line 169 of file WaterTransport.h.

Referenced by WaterTransport::initTP().

thermo_t* m_thermo

protectedinherited

pointer to the object representing the phase

Definition at line 857 of file TransportBase.h.

Referenced by SolidTransport::electricalConductivity(), GasTransport::getBinaryDiffCoeffs(), AqueousTransport::getBinaryDiffCoeffs(), AqueousTransport::getLiquidTransportData(), MultiTransport::getMassFluxes(), SolidTransport::getMixDiffCoeffs(), GasTransport::getMixDiffCoeffs(), AqueousTransport::getMixDiffCoeffs(), GasTransport::getMixDiffCoeffsMass(), GasTransport::getMixDiffCoeffsMole(), SolidTransport::getMobilities(), DustyGasTransport::getMolarFluxes(), MultiTransport::getMolarFluxes(), MultiTransport::getMultiDiffCoeffs(), MultiTransport::getSpeciesFluxes(), MixTransport::getSpeciesFluxes(), AqueousTransport::getSpeciesFluxesExt(), SimpleTransport::getSpeciesFluxesExt(), SimpleTransport::getSpeciesVdiff(), SimpleTransport::getSpeciesVdiffES(), GasTransport::initGas(), DustyGasTransport::initialize(), LiquidTransport::initLiquid(), SimpleTransport::initLiquid(), AqueousTransport::initLiquid(), WaterTransport::initTP(), Transport::operator=(), MixTransport::pressure_ig(), SolidTransport::setParameters(), Transport::setThermo(), AqueousTransport::stefan_maxwell_solve(), LiquidTransport::stefan_maxwell_solve(), SolidTransport::thermalConductivity(), Transport::thermo(), Transport::Transport(), MixTransport::update_C(), MultiTransport::update_C(), AqueousTransport::update_C(), SimpleTransport::update_C(), LiquidTransport::update_C(), LiquidTransport::update_Grad_lnAC(), MixTransport::update_T(), MultiTransport::update_T(), AqueousTransport::update_T(), SimpleTransport::update_T(), LiquidTransport::update_T(), MultiTransport::updateThermal_T(), DustyGasTransport::updateTransport_C(), and DustyGasTransport::updateTransport_T().

bool m_ready

protectedinherited

true if finalize has been called

Definition at line 860 of file TransportBase.h.

Referenced by Transport::finalize(), Transport::operator=(), Transport::ready(), and Transport::Transport().

size_t m_nsp

protectedinherited

Number of species.

Definition at line 863 of file TransportBase.h.

Referenced by Transport::checkSpeciesArraySize(), Transport::checkSpeciesIndex(), DustyGasTransport::eval_H_matrix(), MultiTransport::eval_L0000(), MultiTransport::eval_L0010(), MultiTransport::eval_L1000(), GasTransport::getBinaryDiffCoeffs(), AqueousTransport::getBinaryDiffCoeffs(), LiquidTransport::getBinaryDiffCoeffs(), SimpleTransport::getBinaryDiffCoeffs(), LiquidTransport::getElectricConduct(), LiquidTransport::getElectricCurrent(), AqueousTransport::getFluidMobilities(), SimpleTransport::getFluidMobilities(), LiquidTransport::getFluidMobilities(), MultiTransport::getMassFluxes(), GasTransport::getMixDiffCoeffs(), AqueousTransport::getMixDiffCoeffs(), SimpleTransport::getMixDiffCoeffs(), LiquidTransport::getMixDiffCoeffs(), GasTransport::getMixDiffCoeffsMass(), GasTransport::getMixDiffCoeffsMole(), MixTransport::getMobilities(), AqueousTransport::getMobilities(), SimpleTransport::getMobilities(), LiquidTransport::getMobilities(), DustyGasTransport::getMolarFluxes(), MultiTransport::getMultiDiffCoeffs(), DustyGasTransport::getMultiDiffCoeffs(), MultiTransport::getSpeciesFluxes(), MixTransport::getSpeciesFluxes(), AqueousTransport::getSpeciesFluxesExt(), SimpleTransport::getSpeciesFluxesExt(), LiquidTransport::getSpeciesFluxesExt(), LiquidTransport::getSpeciesMobilityRatio(), LiquidTransport::getSpeciesSelfDiffusion(), SimpleTransport::getSpeciesVdiff(), SimpleTransport::getSpeciesVdiffES(), LiquidTransport::getSpeciesVdiffExt(), MultiTransport::getThermalDiffCoeffs(), MixTransport::getThermalDiffCoeffs(), AqueousTransport::getThermalDiffCoeffs(), SimpleTransport::getThermalDiffCoeffs(), LiquidTransport::getThermalDiffCoeffs(), GasTransport::initGas(), MultiTransport::initGas(), MixTransport::initGas(), DustyGasTransport::initialize(), LiquidTransport::initLiquid(), SimpleTransport::initLiquid(), AqueousTransport::initLiquid(), LiquidTransport::mobilityRatio(), Transport::operator=(), LiquidTransport::selfDiffusion(), AqueousTransport::set_Grad_X(), SimpleTransport::set_Grad_X(), LiquidTransport::set_Grad_X(), Transport::setThermo(), MultiTransport::solveLMatrixEquation(), AqueousTransport::stefan_maxwell_solve(), LiquidTransport::stefan_maxwell_solve(), MultiTransport::thermalConductivity(), MixTransport::thermalConductivity(), AqueousTransport::thermalConductivity(), SimpleTransport::thermalConductivity(), Transport::Transport(), MixTransport::update_C(), MultiTransport::update_C(), AqueousTransport::update_C(), SimpleTransport::update_C(), LiquidTransport::update_C(), LiquidTransport::update_Grad_lnAC(), DustyGasTransport::updateBinaryDiffCoeffs(), MixTransport::updateCond_T(), SimpleTransport::updateCond_T(), AqueousTransport::updateCond_T(), LiquidTransport::updateCond_T(), GasTransport::updateDiff_T(), SimpleTransport::updateDiff_T(), AqueousTransport::updateDiff_T(), LiquidTransport::updateHydrodynamicRadius_T(), LiquidTransport::updateIonConductivity_T(), DustyGasTransport::updateKnudsenDiffCoeffs(), LiquidTransport::updateMobilityRatio_T(), LiquidTransport::updateSelfDiffusion_T(), GasTransport::updateSpeciesViscosities(), AqueousTransport::updateSpeciesViscosities(), MultiTransport::updateThermal_T(), DustyGasTransport::updateTransport_C(), GasTransport::updateViscosity_T(), SimpleTransport::updateViscosity_T(), AqueousTransport::updateViscosity_T(), LiquidTransport::updateViscosity_T(), GasTransport::viscosity(), AqueousTransport::viscosity(), SimpleTransport::viscosity(), and LiquidTransport::~LiquidTransport().

size_t m_nDim

protectedinherited

Number of dimensions used in flux expressions.

Definition at line 866 of file TransportBase.h.

Referenced by Transport::nDim(), Transport::operator=(), Transport::setNDim(), and Transport::Transport().

int m_velocityBasis

protectedinherited

Velocity basis from which diffusion velocities are computed.

Defaults to the mass averaged basis = -2

Definition at line 870 of file TransportBase.h.

Referenced by SimpleTransport::getSpeciesFluxesExt(), Transport::getVelocityBasis(), LiquidTransport::initLiquid(), Transport::operator=(), Transport::setVelocityBasis(), LiquidTransport::stefan_maxwell_solve(), and Transport::Transport().

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

• WaterTransport.h
• WaterTransport.cpp