Cantera 2.6.0

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Transport Class Reference
Models of Phases of Matter » Transport Properties for Species in Phases

Base class for transport property managers. More...

`#include <TransportBase.h>`

Inheritance diagram for Transport:
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Collaboration diagram for Transport:
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## Public Member Functions
| Transport (ThermoPhase *thermo=0, size_t ndim=1)
| Constructor. More...
| Transport (const Transport &)=delete
Transport & | operator= (const Transport &)=delete
virtual std::string | transportType () const
| Identifies the Transport object type. More...
ThermoPhase & | 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 | getMixDiffCoeffs (doublereal *const d)
| Returns a vector of mixture averaged diffusion coefficients. More...
virtual void | getMixDiffCoeffsMole (doublereal *const d)
| Returns a vector of mixture averaged diffusion coefficients. More...
virtual void | getMixDiffCoeffsMass (doublereal *const d)
| Returns a vector of mixture averaged diffusion coefficients. More...
virtual void | getViscosityPolynomial (size_t i, double *coeffs) const
| Return the polynomial fits to the viscosity of species i. More...
virtual void | getConductivityPolynomial (size_t i, double *coeffs) const
| Return the temperature fits of the heat conductivity of species i. More...
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) More...
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) More...
virtual void | setViscosityPolynomial (size_t i, double *coeffs)
| Modify the polynomial fits to the viscosity of species i. More...
virtual void | setConductivityPolynomial (size_t i, double *coeffs)
| Modify the temperature fits of the heat conductivity of species i. More...
virtual void | setBinDiffusivityPolynomial (size_t i, size_t j, double *coeffs)
| Modify the polynomial fits to the binary diffusivity of species pair (i, j) More...
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) More...
virtual void | setParameters (const int type, const int k, const doublereal *const p)
| Set model parameters for derived classes. More...
AnyMap | parameters () const
| Return the parameters for a phase definition which are needed to reconstruct an identical object using the newTransport function. More...
void | setVelocityBasis (VelocityBasis ivb)
| Sets the velocity basis. More...
VelocityBasis | getVelocityBasis () const
| Gets the velocity basis. More...
Transport Properties
virtual doublereal | viscosity ()
virtual void | getSpeciesViscosities (doublereal *const visc)
| Returns the pure species viscosities. More...
virtual doublereal | bulkViscosity ()
| The bulk viscosity in Pa-s. More...
virtual doublereal | ionConductivity ()
| The ionic conductivity in 1/ohm/m. More...
virtual void | getSpeciesIonConductivity (doublereal *const ionCond)
| Returns the pure species ionic conductivity. More...
virtual void | mobilityRatio (double *mobRat)
| Returns the pointer to the mobility ratios of the species in the phase. More...
virtual void | getSpeciesMobilityRatio (double **mobRat)
| Returns the pure species limit of the mobility ratios. More...
virtual doublereal | thermalConductivity ()
| Returns the mixture thermal conductivity in W/m/K. More...
virtual doublereal | electricalConductivity ()
| The electrical conductivity (Siemens/m). More...
virtual void | getMobilities (doublereal *const mobil_e)
| Get the Electrical mobilities (m^2/V/s). More...
virtual void | getFluidMobilities (doublereal *const mobil_f)
| Get the fluid mobilities (s kmol/kg). More...

## Protected Attributes
ThermoPhase * | 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...
std::weak_ptr< Solution > | m_root
| reference to Solution More...

## Transport manager construction
These methods are used during construction.
virtual void | init (ThermoPhase *thermo, int mode=0, int log_level=0)
| Initialize a transport manager. More...
virtual void | setThermo (ThermoPhase &thermo)
| Specifies the ThermoPhase object. More...
virtual void | setRoot (std::shared_ptr< Solution > root)
| Set root Solution holding all phase information. More...
virtual bool | CKMode () const
| Boolean indicating the form of the transport properties polynomial fits. More...
void | finalize ()
| Enable the transport object for use. More...

## Detailed Description

Base class for transport property managers.

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

## Relationship of the Transport class to the ThermoPhase Class

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

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

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

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

## Diffusion Fluxes and their Relationship to Reference Velocities

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

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

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

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

Definition at line 137 of file TransportBase.h.

## Constructor & Destructor Documentation

## ◆ Transport()

Transport | ( | ThermoPhase * | 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 17 of file TransportBase.cpp.

## ◆ ~Transport()

virtual ~Transport | ( |  | ) |
| inline virtual

Definition at line 152 of file TransportBase.h.

## Member Function Documentation

## ◆ transportType()

virtual std::string transportType | ( |  | ) | const
| inline virtual

Identifies the Transport object type.

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

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

Definition at line 160 of file TransportBase.h.

Referenced by Transport::bulkViscosity(), Transport::CKMode(), Transport::electricalConductivity(), Transport::getBinaryDiffCoeffs(), Transport::getBinDiffusivityPolynomial(), Transport::getCollisionIntegralPolynomial(), Transport::getConductivityPolynomial(), Transport::getElectricConduct(), Transport::getElectricCurrent(), Transport::getFluidMobilities(), Transport::getMassFluxes(), Transport::getMixDiffCoeffs(), Transport::getMixDiffCoeffsMass(), Transport::getMixDiffCoeffsMole(), Transport::getMobilities(), Transport::getMolarFluxes(), Transport::getMultiDiffCoeffs(), Transport::getSpeciesFluxes(), Transport::getSpeciesIonConductivity(), Transport::getSpeciesMobilityRatio(), Transport::getSpeciesVdiff(), Transport::getSpeciesViscosities(), Transport::getThermalDiffCoeffs(), Transport::getViscosityPolynomial(), Transport::ionConductivity(), Transport::mobilityRatio(), Transport::parameters(), Transport::setBinDiffusivityPolynomial(), Transport::setCollisionIntegralPolynomial(), Transport::setConductivityPolynomial(), StFlow::setTransport(), Transport::setViscosityPolynomial(), Transport::thermalConductivity(), and Transport::viscosity().

## ◆ 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 170 of file TransportBase.h.

References Transport::m_thermo.

Referenced by MixTransport::init(), MultiTransport::init(), WaterTransport::init(), DustyGasTransport::setThermo(), Transport::setThermo(), and WaterTransport::WaterTransport().

## ◆ ready()

bool ready | ( |  | ) |

Returns true if the transport manager is ready for use.

Definition at line 26 of file TransportBase.cpp.

References Transport::m_ready.

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

## ◆ setNDim()

void setNDim | ( | const int | ndim | ) |

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

Parameters

  ndim | Number of dimensions in flux expressions

Definition at line 31 of file TransportBase.cpp.

References Transport::m_nDim.

## ◆ nDim()

size_t nDim | ( |  | ) | const
| inline

Return the number of dimensions in flux expressions.

Definition at line 186 of file TransportBase.h.

References Transport::m_nDim.

## ◆ checkSpeciesIndex()

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 36 of file TransportBase.cpp.

References Transport::m_nsp.

## ◆ checkSpeciesArraySize()

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 43 of file TransportBase.cpp.

References Transport::m_nsp.

## ◆ viscosity()

virtual doublereal viscosity | ( |  | ) |
| inline virtual

The viscosity in Pa-s.

Reimplemented in GasTransport, HighPressureGasTransport, IonGasTransport, and WaterTransport.

Definition at line 207 of file TransportBase.h.

References Transport::transportType().

Referenced by StFlow::updateTransport().

## ◆ getSpeciesViscosities()

virtual void getSpeciesViscosities | ( | doublereal *const | visc | ) |
| inline virtual

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 GasTransport.

Definition at line 218 of file TransportBase.h.

References Transport::transportType().

## ◆ bulkViscosity()

virtual doublereal bulkViscosity | ( |  | ) |
| inline virtual

The bulk viscosity in Pa-s.

The bulk viscosity is only non-zero in rare cases. Most transport managers either overload this method to return zero, or do not implement it, in which case an exception is thrown if called.

Reimplemented in WaterTransport.

Definition at line 229 of file TransportBase.h.

References Transport::transportType().

## ◆ ionConductivity()

virtual doublereal ionConductivity | ( |  | ) |
| inline virtual

The ionic conductivity in 1/ohm/m.

Definition at line 235 of file TransportBase.h.

References Transport::transportType().

## ◆ getSpeciesIonConductivity()

virtual void getSpeciesIonConductivity | ( | doublereal *const | ionCond | ) |
| inline virtual

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

Definition at line 246 of file TransportBase.h.

References Transport::transportType().

## ◆ mobilityRatio()

virtual void mobilityRatio | ( | double * | mobRat | ) |
| inline virtual

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. That is, it is returned as mobRat[k], where

       k = j * nsp + i

The size of mobRat must be at least equal to nsp*nsp

Definition at line 266 of file TransportBase.h.

References Transport::transportType().

## ◆ getSpeciesMobilityRatio()

virtual void getSpeciesMobilityRatio | ( | double ** | mobRat | ) |
| inline virtual

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

Definition at line 277 of file TransportBase.h.

References Transport::transportType().

## ◆ thermalConductivity()

virtual doublereal thermalConductivity | ( |  | ) |
| inline virtual

Returns the mixture thermal conductivity in W/m/K.

Units are in W / m K or equivalently kg m / s3 K

Returns
  thermal conductivity in W/m/K.

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

Definition at line 288 of file TransportBase.h.

References Transport::transportType().

Referenced by StFlow::updateTransport().

## ◆ electricalConductivity()

virtual doublereal electricalConductivity | ( |  | ) |
| inline virtual

The electrical conductivity (Siemens/m).

Reimplemented in IonGasTransport.

Definition at line 294 of file TransportBase.h.

References Transport::transportType().

## ◆ getMobilities()

virtual void getMobilities | ( | doublereal *const | mobil_e | ) |
| inline 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 in IonGasTransport, and MixTransport.

Definition at line 315 of file TransportBase.h.

References Transport::transportType().

## ◆ getFluidMobilities()

virtual void getFluidMobilities | ( | doublereal *const | mobil_f | ) |
| inline virtual

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.

Definition at line 337 of file TransportBase.h.

References Transport::transportType().

## ◆ getElectricConduct()

virtual doublereal getElectricConduct | ( |  | ) |
| inline virtual

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

Definition at line 361 of file TransportBase.h.

References Transport::transportType().

## ◆ getElectricCurrent()

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

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

Definition at line 379 of file TransportBase.h.

References Transport::transportType().

## ◆ getSpeciesFluxes()

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
| ) |  |
| inline virtual

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

Units for the returned fluxes are kg m-2 s-1.

Usually the specified solution average velocity is the mass averaged velocity. This is changed in some subclasses, however.

Parameters

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

Reimplemented in MixTransport, and MultiTransport.

Definition at line 409 of file TransportBase.h.

References Transport::transportType().

Referenced by Transport::getSpeciesFluxesES().

## ◆ 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
| ) |  |
| inline virtual

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

Units for the returned fluxes are kg m-2 s-1.

Parameters

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

Definition at line 434 of file TransportBase.h.

References Transport::getSpeciesFluxes().

## ◆ getSpeciesVdiff()

virtual void getSpeciesVdiff | ( | size_t | ndim,
|  | const doublereal * | grad_T,
|  | int | ldx,
|  | const doublereal * | grad_X,
|  | int | ldf,
|  | doublereal * | Vdiff
| ) |  |
| inline virtual

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

Parameters

  [in] | ndim | Number of dimensions in the flux expressions
  [in] | grad_T | Gradient of the temperature (length = ndim)
  [in] | ldx | Leading dimension of the grad_X array (usually equal to m_nsp but not always)
  [in] | grad_X | Gradients of the mole fraction. Flat vector with the m_nsp in the inner loop. length = ldx * ndim
  [in] | ldf | Leading dimension of the fluxes array (usually equal to m_nsp but not always)
  [out] | Vdiff | Diffusive velocities wrt the mass- averaged velocity. Flat vector with the m_nsp in the inner loop. length = ldx * ndim. units are m / s.

Definition at line 459 of file TransportBase.h.

References Transport::transportType().

Referenced by Transport::getSpeciesVdiffES().

## ◆ 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
| ) |  |
| inline virtual

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

Parameters

  [in] | ndim | Number of dimensions in the flux expressions
  [in] | grad_T | Gradient of the temperature (length = ndim)
  [in] | ldx | Leading dimension of the grad_X array (usually equal to m_nsp but not always)
  [in] | grad_X | Gradients of the mole fraction. Flat vector with the m_nsp in the inner loop. length = ldx * ndim.
  [in] | ldf | Leading dimension of the fluxes array (usually equal to m_nsp but not always)
  [in] | grad_Phi | Gradients of the electrostatic potential (length = ndim)
  [out] | Vdiff | Diffusive velocities wrt the mass-averaged velocity. Flat vector with the m_nsp in the inner loop. length = ldx ndim. units are m / s.

Definition at line 487 of file TransportBase.h.

References Transport::getSpeciesVdiff().

## ◆ getMolarFluxes()

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

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

Parameters

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

Reimplemented in DustyGasTransport, and MultiTransport.

Definition at line 510 of file TransportBase.h.

References Transport::transportType().

## ◆ getMassFluxes()

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

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

Parameters

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

Reimplemented in MultiTransport.

Definition at line 530 of file TransportBase.h.

References Transport::transportType().

## ◆ getThermalDiffCoeffs()

virtual void getThermalDiffCoeffs | ( | doublereal *const | dt | ) |
| inline virtual

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 HighPressureGasTransport, MixTransport, and MultiTransport.

Definition at line 553 of file TransportBase.h.

References Transport::transportType().

Referenced by StFlow::updateTransport().

## ◆ getBinaryDiffCoeffs()

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

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

Parameters

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

Reimplemented in GasTransport, and HighPressureGasTransport.

Definition at line 565 of file TransportBase.h.

References Transport::transportType().

## ◆ getMultiDiffCoeffs()

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

Return the Multicomponent diffusion coefficients. Units: [m^2/s].

If the transport manager implements a multicomponent diffusion model, then this method returns the array of multicomponent diffusion coefficients. Otherwise it throws an exception.

Parameters

  [in] | ld | The dimension of the inner loop of d (usually equal to m_nsp)
  [out] | d | flat vector of diffusion coefficients, fortran ordering. d[ld*j+i] is the D_ij diffusion coefficient (the diffusion coefficient for species i due to concentration gradients in species j). Units: m^2/s

Reimplemented in DustyGasTransport, HighPressureGasTransport, and MultiTransport.

Definition at line 582 of file TransportBase.h.

References Transport::transportType().

Referenced by StFlow::updateTransport().

## ◆ getMixDiffCoeffs()

virtual void getMixDiffCoeffs | ( | doublereal *const | d | ) |
| inline 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 in IonGasTransport, UnityLewisTransport, and GasTransport.

Definition at line 597 of file TransportBase.h.

References Transport::transportType().

Referenced by StFlow::updateTransport().

## ◆ getMixDiffCoeffsMole()

virtual void getMixDiffCoeffsMole | ( | doublereal *const | d | ) |
| inline virtual

Returns a vector of mixture averaged diffusion coefficients.

Reimplemented in UnityLewisTransport, and GasTransport.

Definition at line 603 of file TransportBase.h.

References Transport::transportType().

## ◆ getMixDiffCoeffsMass()

virtual void getMixDiffCoeffsMass | ( | doublereal *const | d | ) |
| inline virtual

Returns a vector of mixture averaged diffusion coefficients.

Reimplemented in UnityLewisTransport, and GasTransport.

Definition at line 609 of file TransportBase.h.

References Transport::transportType().

## ◆ getViscosityPolynomial()

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

Return the polynomial fits to the viscosity of species i.

Reimplemented in GasTransport.

Definition at line 615 of file TransportBase.h.

References Transport::transportType().

## ◆ getConductivityPolynomial()

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

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

Reimplemented in GasTransport.

Definition at line 621 of file TransportBase.h.

References Transport::transportType().

## ◆ getBinDiffusivityPolynomial()

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

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

Reimplemented in GasTransport.

Definition at line 627 of file TransportBase.h.

References Transport::transportType().

## ◆ getCollisionIntegralPolynomial()

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

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

Reimplemented in GasTransport.

Definition at line 633 of file TransportBase.h.

References Transport::transportType().

## ◆ setViscosityPolynomial()

virtual void setViscosityPolynomial | ( | size_t | i,
|  | double * | coeffs
| ) |  |
| inline virtual

Modify the polynomial fits to the viscosity of species i.

Reimplemented in GasTransport.

Definition at line 642 of file TransportBase.h.

References Transport::transportType().

## ◆ setConductivityPolynomial()

virtual void setConductivityPolynomial | ( | size_t | i,
|  | double * | coeffs
| ) |  |
| inline virtual

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

Reimplemented in GasTransport.

Definition at line 648 of file TransportBase.h.

References Transport::transportType().

## ◆ setBinDiffusivityPolynomial()

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

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

Reimplemented in GasTransport.

Definition at line 654 of file TransportBase.h.

References Transport::transportType().

## ◆ setCollisionIntegralPolynomial()

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

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

Reimplemented in GasTransport.

Definition at line 660 of file TransportBase.h.

References Transport::transportType().

## ◆ setParameters()

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

Definition at line 683 of file TransportBase.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 50 of file TransportBase.cpp.

References Factory< T, Args >::canonicalize(), TransportFactory::factory(), and Transport::transportType().

## ◆ setVelocityBasis()

void setVelocityBasis | ( | VelocityBasis | ivb | ) |
| inline

Sets the velocity basis.

What the transport object does with this parameter is up to the individual operator. Currently, this is not functional for most transport operators including all of the gas-phase operators.

Parameters

  ivb | Species the velocity basis

Definition at line 702 of file TransportBase.h.

References Transport::m_velocityBasis.

## ◆ getVelocityBasis()

VelocityBasis getVelocityBasis | ( |  | ) | const
| inline

Gets the velocity basis.

What the transport object does with this parameter is up to the individual operator. Currently, this is not functional for most transport operators including all of the gas-phase operators.

Returns
  the velocity basis

Definition at line 714 of file TransportBase.h.

References Transport::m_velocityBasis.

## ◆ init()

virtual void init | ( | ThermoPhase * | thermo,
|  | int | mode = `0`,
|  | int | log_level = `0`
| ) |  |
| inline virtual

Initialize a transport manager.

This routine sets up a transport manager. It calculates the collision integrals and populates species-dependent data structures.

Parameters

  thermo | Pointer to the ThermoPhase object
  mode | Chemkin compatible mode or not. This alters the specification of the collision integrals. defaults to no.
  log_level | Defaults to zero, no logging

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

Definition at line 734 of file TransportBase.h.

Referenced by TransportFactory::newTransport().

## ◆ setThermo()

void setThermo | ( | ThermoPhase & | thermo | ) |
| virtual

Specifies the ThermoPhase object.

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

Parameters

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

Reimplemented in DustyGasTransport.

Definition at line 60 of file TransportBase.cpp.

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

Referenced by DustyGasTransport::setThermo().

## ◆ setRoot()

void setRoot | ( | std::shared_ptr< Solution > | root | ) |
| virtual

Set root Solution holding all phase information.

Definition at line 86 of file TransportBase.cpp.

References Transport::m_root.

## ◆ CKMode()

virtual bool CKMode | ( |  | ) | const
| inline virtual

Boolean indicating the form of the transport properties polynomial fits.

Returns true if the Chemkin form is used.

Reimplemented in GasTransport.

Definition at line 756 of file TransportBase.h.

References Transport::transportType().

## ◆ finalize()

void finalize | ( |  | ) |
| protected

Enable the transport object for use.

Once finalize() has been called, the transport manager should be ready to compute any supported transport property, and no further modifications to the model parameters should be made.

Definition at line 91 of file TransportBase.cpp.

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

## Member Data Documentation

## ◆ m_thermo

ThermoPhase* m_thermo
| protected

pointer to the object representing the phase

Definition at line 773 of file TransportBase.h.

Referenced by HighPressureGasTransport::getBinaryDiffCoeffs(), MultiTransport::getMassFluxes(), UnityLewisTransport::getMixDiffCoeffs(), UnityLewisTransport::getMixDiffCoeffsMass(), DustyGasTransport::getMolarFluxes(), MultiTransport::getMolarFluxes(), HighPressureGasTransport::getMultiDiffCoeffs(), MultiTransport::getMultiDiffCoeffs(), MixTransport::getSpeciesFluxes(), MultiTransport::getSpeciesFluxes(), WaterTransport::init(), DustyGasTransport::initialize(), Transport::setThermo(), HighPressureGasTransport::thermalConductivity(), WaterTransport::thermalConductivity(), Transport::thermo(), MixTransport::update_C(), MultiTransport::update_C(), MixTransport::update_T(), MultiTransport::update_T(), MultiTransport::updateThermal_T(), DustyGasTransport::updateTransport_C(), DustyGasTransport::updateTransport_T(), HighPressureGasTransport::viscosity(), and WaterTransport::viscosity().

## ◆ m_ready

bool m_ready
| protected

true if finalize has been called

Definition at line 776 of file TransportBase.h.

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

## ◆ m_nsp

size_t m_nsp
| protected

Number of species.

Definition at line 779 of file TransportBase.h.

Referenced by Transport::checkSpeciesArraySize(), Transport::checkSpeciesIndex(), DustyGasTransport::eval_H_matrix(), MultiTransport::eval_L0000(), MultiTransport::eval_L0010(), MultiTransport::eval_L1000(), MultiTransport::getMassFluxes(), UnityLewisTransport::getMixDiffCoeffs(), UnityLewisTransport::getMixDiffCoeffsMass(), MixTransport::getMobilities(), DustyGasTransport::getMolarFluxes(), DustyGasTransport::getMultiDiffCoeffs(), HighPressureGasTransport::getMultiDiffCoeffs(), MultiTransport::getMultiDiffCoeffs(), MixTransport::getSpeciesFluxes(), MultiTransport::getSpeciesFluxes(), MixTransport::getThermalDiffCoeffs(), MultiTransport::getThermalDiffCoeffs(), MixTransport::init(), MultiTransport::init(), DustyGasTransport::initialize(), Transport::setThermo(), HighPressureGasTransport::thermalConductivity(), MixTransport::thermalConductivity(), MultiTransport::thermalConductivity(), MixTransport::update_C(), MultiTransport::update_C(), MixTransport::update_T(), MultiTransport::update_T(), DustyGasTransport::updateBinaryDiffCoeffs(), MixTransport::updateCond_T(), DustyGasTransport::updateKnudsenDiffCoeffs(), MultiTransport::updateThermal_T(), DustyGasTransport::updateTransport_C(), and HighPressureGasTransport::viscosity().

## ◆ m_nDim

size_t m_nDim
| protected

Number of dimensions used in flux expressions.

Definition at line 782 of file TransportBase.h.

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

## ◆ m_velocityBasis

int m_velocityBasis
| protected

Velocity basis from which diffusion velocities are computed.

Defaults to the mass averaged basis = -2

Definition at line 786 of file TransportBase.h.

Referenced by Transport::getVelocityBasis(), and Transport::setVelocityBasis().

## ◆ m_root

std::weak_ptr<Solution> m_root
| protected

reference to Solution

Definition at line 789 of file TransportBase.h.

Referenced by Transport::setRoot().

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

- TransportBase.h
- TransportBase.cpp