Cantera 2.6.0

Public Member Functions | Protected Member Functions | Protected Attributes | List of all members
MultiTransport Class Reference
Models of Phases of Matter » Transport Properties for Species in Phases

Class MultiTransport implements multicomponent transport properties for ideal gas mixtures. More...

`#include <MultiTransport.h>`

Inheritance diagram for MultiTransport:
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Collaboration diagram for MultiTransport:
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## Public Member Functions
| MultiTransport (ThermoPhase *thermo=0)
| default constructor More...
virtual std::string | transportType () const
| Identifies the Transport object type. More...
virtual void | getThermalDiffCoeffs (doublereal *const dt)
| Return the thermal diffusion coefficients (kg/m/s) More...
virtual doublereal | thermalConductivity ()
| Returns the mixture thermal conductivity in W/m/K. More...
virtual void | getMultiDiffCoeffs (const size_t ld, doublereal *const d)
| Return the Multicomponent diffusion coefficients. Units: [m^2/s]. 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 mass averaged velocity, given the gradients in mole fraction and temperature. More...
virtual void | getMolarFluxes (const doublereal *const state1, const doublereal *const state2, const doublereal delta, doublereal *const fluxes)
| Get the molar diffusional fluxes [kmol/m^2/s] of the species, given the thermodynamic state at two nearby points. More...
virtual void | getMassFluxes (const doublereal *state1, const doublereal *state2, doublereal delta, doublereal *fluxes)
| Get the mass diffusional fluxes [kg/m^2/s] of the species, given the thermodynamic state at two nearby points. More...
virtual void | init (ThermoPhase *thermo, int mode=0, int log_level=0)
| Initialize a transport manager. More...
Public Member Functions inherited from GasTransport
virtual doublereal | viscosity ()
| Viscosity of the mixture (kg /m /s) More...
virtual void | getSpeciesViscosities (doublereal *const visc)
| Get the pure-species viscosities. More...
virtual void | getBinaryDiffCoeffs (const size_t ld, doublereal *const d)
| Returns the matrix of binary diffusion coefficients. More...
virtual void | getMixDiffCoeffs (doublereal *const d)
| Returns the Mixture-averaged diffusion coefficients [m^2/s]. More...
virtual void | getMixDiffCoeffsMole (doublereal *const d)
| Returns the mixture-averaged diffusion coefficients [m^2/s]. More...
virtual void | getMixDiffCoeffsMass (doublereal *const d)
| Returns the mixture-averaged diffusion coefficients [m^2/s]. 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 actualT)
| Modify the polynomial fits to the collision integral of species pair (i, j) More...
virtual void | init (ThermoPhase *thermo, int mode=0, int log_level=0)
| Initialize a transport manager. More...
bool | CKMode () const
| Boolean indicating the form of the transport properties polynomial fits. More...
Public Member Functions inherited from Transport
| 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...
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 | 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...
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...

## Protected Member Functions
void | update_T ()
| Update basic temperature-dependent quantities if the temperature has changed. More...
void | update_C ()
| Update basic concentration-dependent quantities if the concentrations have changed. More...
void | updateThermal_T ()
| Update the temperature-dependent terms needed to compute the thermal conductivity and thermal diffusion coefficients. More...
void | correctBinDiffCoeffs ()
void | eval_L0000 (const doublereal *const x)
| Evaluate the L0000 matrices. More...
void | eval_L0010 (const doublereal *const x)
| Evaluate the L0010 matrices. More...
void | eval_L1000 ()
| Evaluate the L1000 matrices. More...
void | eval_L0100 ()
void | eval_L0001 ()
void | eval_L1010 (const doublereal *x)
void | eval_L1001 (const doublereal *x)
void | eval_L0110 ()
void | eval_L0101 (const doublereal *x)
bool | hasInternalModes (size_t j)
double | pressure_ig ()
virtual void | solveLMatrixEquation ()
Protected Member Functions inherited from GasTransport
| GasTransport (ThermoPhase *thermo=0)
virtual void | update_T ()
virtual void | update_C ()=0
virtual void | updateViscosity_T ()
| Update the temperature-dependent viscosity terms. More...
virtual void | updateSpeciesViscosities ()
| Update the pure-species viscosities. More...
virtual void | updateDiff_T ()
| Update the binary diffusion coefficients. More...
virtual void | setupCollisionParameters ()
| Setup parameters for a new kinetic-theory-based transport manager for low-density gases. More...
void | setupCollisionIntegral ()
| Setup range for polynomial fits to collision integrals of Monchick & Mason. More...
void | getTransportData ()
| Read the transport database. More...
void | makePolarCorrections (size_t i, size_t j, doublereal &f_eps, doublereal &f_sigma)
| Corrections for polar-nonpolar binary diffusion coefficients. More...
void | fitCollisionIntegrals (MMCollisionInt &integrals)
| Generate polynomial fits to collision integrals. More...
virtual void | fitProperties (MMCollisionInt &integrals)
| Generate polynomial fits to the viscosity and conductivity. More...
virtual void | fitDiffCoeffs (MMCollisionInt &integrals)
| Generate polynomial fits to the binary diffusion coefficients. More...
void | getBinDiffCorrection (doublereal t, MMCollisionInt &integrals, size_t k, size_t j, doublereal xk, doublereal xj, doublereal &fkj, doublereal &fjk)
| Second-order correction to the binary diffusion coefficients. More...
Protected Member Functions inherited from Transport
void | finalize ()
| Enable the transport object for use. More...

## Protected Attributes
doublereal | m_thermal_tlast
DenseMatrix | m_astar
| Dense matrix for astar. More...
DenseMatrix | m_bstar
| Dense matrix for bstar. More...
DenseMatrix | m_cstar
| Dense matrix for cstar. More...
vector_fp | m_cinternal
vector_fp | m_sqrt_eps_k
DenseMatrix | m_log_eps_k
vector_fp | m_frot_298
vector_fp | m_rotrelax
doublereal | m_lambda
DenseMatrix | m_Lmatrix
DenseMatrix | m_aa
vector_fp | m_a
vector_fp | m_b
vector_fp | m_spwork1
vector_fp | m_spwork2
vector_fp | m_spwork3
vector_fp | m_molefracs_last
| Mole fraction vector from last L-matrix evaluation. More...
bool | m_abc_ok
| Boolean indicating viscosity is up to date. More...
bool | m_l0000_ok
bool | m_lmatrix_soln_ok
DenseMatrix | incl
bool | m_debug
Protected Attributes inherited from GasTransport
vector_fp | m_molefracs
| Vector of species mole fractions. More...
doublereal | m_viscmix
| Internal storage for the viscosity of the mixture (kg /m /s) More...
bool | m_visc_ok
| Update boolean for mixture rule for the mixture viscosity. More...
bool | m_viscwt_ok
| Update boolean for the weighting factors for the mixture viscosity. More...
bool | m_spvisc_ok
| Update boolean for the species viscosities. More...
bool | m_bindiff_ok
| Update boolean for the binary diffusivities at unit pressure. More...
int | m_mode
| Type of the polynomial fits to temperature. More...
DenseMatrix | m_phi
| m_phi is a Viscosity Weighting Function. size = m_nsp * n_nsp More...
vector_fp | m_spwork
| work space length = m_kk More...
vector_fp | m_visc
| vector of species viscosities (kg /m /s). More...
std::vector< vector_fp > | m_visccoeffs
| Polynomial fits to the viscosity of each species. More...
vector_fp | m_mw
| Local copy of the species molecular weights. More...
DenseMatrix | m_wratjk
| Holds square roots of molecular weight ratios. More...
DenseMatrix | m_wratkj1
| Holds square roots of molecular weight ratios. More...
vector_fp | m_sqvisc
| vector of square root of species viscosities sqrt(kg /m /s). More...
vector_fp | m_polytempvec
| Powers of the ln temperature, up to fourth order. More...
doublereal | m_temp
| Current value of the temperature at which the properties in this object are calculated (Kelvin). More...
doublereal | m_kbt
| Current value of Boltzmann constant times the temperature (Joules) More...
doublereal | m_sqrt_kbt
| current value of Boltzmann constant times the temperature. More...
doublereal | m_sqrt_t
| current value of temperature to 1/2 power More...
doublereal | m_logt
| Current value of the log of the temperature. More...
doublereal | m_t14
| Current value of temperature to 1/4 power. More...
doublereal | m_t32
| Current value of temperature to the 3/2 power. More...
std::vector< vector_fp > | m_diffcoeffs
| Polynomial fits to the binary diffusivity of each species. More...
DenseMatrix | m_bdiff
| Matrix of binary diffusion coefficients at the reference pressure and the current temperature Size is nsp x nsp. More...
std::vector< vector_fp > | m_condcoeffs
| temperature fits of the heat conduction More...
std::vector< vector_int > | m_poly
| Indices for the (i,j) interaction in collision integral fits. More...
std::vector< vector_fp > | m_omega22_poly
| Fit for omega22 collision integral. More...
std::vector< vector_int > | m_star_poly_uses_actualT
| Flag to indicate for which (i,j) interaction pairs the actual temperature is used instead of the reduced temperature. More...
std::vector< vector_fp > | m_astar_poly
| Fit for astar collision integral. More...
std::vector< vector_fp > | m_bstar_poly
| Fit for bstar collision integral. More...
std::vector< vector_fp > | m_cstar_poly
| Fit for cstar collision integral. More...
vector_fp | m_zrot
| Rotational relaxation number for each species. More...
vector_fp | m_crot
| Dimensionless rotational heat capacity of each species. More...
std::vector< bool > | m_polar
| Vector of booleans indicating whether a species is a polar molecule. More...
vector_fp | m_alpha
| Polarizability of each species in the phase. More...
vector_fp | m_eps
| Lennard-Jones well-depth of the species in the current phase. More...
vector_fp | m_sigma
| Lennard-Jones diameter of the species in the current phase. More...
DenseMatrix | m_reducedMass
| This is the reduced mass of the interaction between species i and j. More...
DenseMatrix | m_diam
| hard-sphere diameter for (i,j) collision More...
DenseMatrix | m_epsilon
| The effective well depth for (i,j) collisions. More...
DenseMatrix | m_dipole
| The effective dipole moment for (i,j) collisions. More...
DenseMatrix | m_delta
| Reduced dipole moment of the interaction between two species. More...
vector_fp | m_w_ac
| Pitzer acentric factor. More...
vector_fp | m_disp
| Dispersion coefficient. More...
vector_fp | m_quad_polar
| Quadrupole polarizability. More...
int | m_log_level
| Level of verbose printing during initialization. More...
Protected Attributes inherited from Transport
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...

## Detailed Description

Class MultiTransport implements multicomponent transport properties for ideal gas mixtures.

The implementation generally follows the procedure outlined in: R. J. Kee, M. J. Coltrin, and P. Glarborg, "Chemically Reacting Flow: Theory & Practice", John Wiley & Sons, 2003.

Definition at line 26 of file MultiTransport.h.

## Constructor & Destructor Documentation

## ◆ MultiTransport()

MultiTransport | ( | ThermoPhase * | thermo = `0` | ) |

default constructor

Parameters

  thermo | Optional parameter for the pointer to the ThermoPhase object

Definition at line 37 of file MultiTransport.cpp.

## 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 from Transport.

Reimplemented in HighPressureGasTransport.

Definition at line 35 of file MultiTransport.h.

References GasTransport::m_mode.

## ◆ getThermalDiffCoeffs()

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

Return the thermal diffusion coefficients (kg/m/s)

Eqn. (12.126) displays how they are calculated. The reference work is from Dixon-Lewis.

Eqns. (12.168) shows how they are used in an expression for the species flux.

Parameters

  dt | Vector of thermal diffusion coefficients. Units = kg/m/s

Reimplemented from Transport.

Reimplemented in HighPressureGasTransport.

Definition at line 100 of file MultiTransport.cpp.

References Cantera::GasConstant, GasTransport::m_molefracs, GasTransport::m_mw, and Transport::m_nsp.

Referenced by MultiTransport::getMassFluxes(), and MultiTransport::getSpeciesFluxes().

## ◆ thermalConductivity()

doublereal thermalConductivity | ( |  | ) |
| 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 from Transport.

Reimplemented in HighPressureGasTransport.

Definition at line 90 of file MultiTransport.cpp.

References Transport::m_nsp.

## ◆ getMultiDiffCoeffs()

void getMultiDiffCoeffs | ( | const size_t | ld,
|  | doublereal *const | d
| ) |  |
| 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 from Transport.

Reimplemented in HighPressureGasTransport.

Definition at line 356 of file MultiTransport.cpp.

References MultiTransport::eval_L0000(), Cantera::invert(), GasTransport::m_molefracs, GasTransport::m_mw, Transport::m_nsp, GasTransport::m_temp, Transport::m_thermo, Phase::meanMolecularWeight(), MultiTransport::update_C(), MultiTransport::update_T(), and MultiTransport::updateThermal_T().

## ◆ getSpeciesFluxes()

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

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

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)
  fluxes | Output of the diffusive mass fluxes. Flat vector with the m_nsp in the inner loop. length = ldx * ndim

Reimplemented from Transport.

Definition at line 171 of file MultiTransport.cpp.

References Phase::density(), MultiTransport::getThermalDiffCoeffs(), GasTransport::m_bdiff, GasTransport::m_molefracs, Transport::m_nsp, GasTransport::m_spwork, GasTransport::m_temp, Transport::m_thermo, Phase::massFractions(), Cantera::solve(), MultiTransport::update_T(), and GasTransport::updateDiff_T().

## ◆ getMolarFluxes()

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

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

The molar diffusional fluxes are calculated with reference to the mass averaged velocity. This is a one-dimensional vector

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).
  fluxes | Output molar fluxes of the species. (length = m_nsp)

Reimplemented from Transport.

Definition at line 345 of file MultiTransport.cpp.

References MultiTransport::getMassFluxes(), GasTransport::m_mw, Transport::m_thermo, and Phase::nSpecies().

## ◆ getMassFluxes()

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

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

The specific diffusional fluxes are calculated with reference to the mass averaged velocity. This is a one-dimensional vector

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).
  fluxes | Output mass fluxes of the species. (length = m_nsp)

Reimplemented from Transport.

Definition at line 257 of file MultiTransport.cpp.

References Phase::density(), Phase::getMoleFractions(), MultiTransport::getThermalDiffCoeffs(), GasTransport::m_bdiff, GasTransport::m_molefracs, Transport::m_nsp, GasTransport::m_spwork, GasTransport::m_temp, Transport::m_thermo, Phase::massFractions(), Phase::nSpecies(), Phase::pressure(), Phase::restoreState(), ThermoPhase::setState_TPX(), Cantera::solve(), MultiTransport::update_T(), and GasTransport::updateDiff_T().

Referenced by MultiTransport::getMolarFluxes().

## ◆ init()

void init | ( | ThermoPhase * | thermo,
|  | int | mode = `0`,
|  | int | log_level = `0`
| ) |  |
| 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 from GasTransport.

Definition at line 42 of file MultiTransport.cpp.

References Cantera::Boltzmann, Cantera::Frot(), GasTransport::init(), MultiTransport::m_abc_ok, MultiTransport::m_astar, MultiTransport::m_bstar, MultiTransport::m_cstar, GasTransport::m_eps, GasTransport::m_epsilon, MultiTransport::m_molefracs_last, Transport::m_nsp, DenseMatrix::resize(), and Transport::thermo().

## ◆ update_T()

void update_T | ( |  | ) |
| protected virtual

Update basic temperature-dependent quantities if the temperature has changed.

Reimplemented from GasTransport.

Definition at line 394 of file MultiTransport.cpp.

References MultiTransport::m_abc_ok, Transport::m_nsp, GasTransport::m_temp, Transport::m_thermo, Phase::nSpecies(), and Phase::temperature().

Referenced by HighPressureGasTransport::getBinaryDiffCoeffs(), MultiTransport::getMassFluxes(), HighPressureGasTransport::getMultiDiffCoeffs(), MultiTransport::getMultiDiffCoeffs(), MultiTransport::getSpeciesFluxes(), and HighPressureGasTransport::thermalConductivity().

## ◆ update_C()

void update_C | ( |  | ) |
| protected virtual

Update basic concentration-dependent quantities if the concentrations have changed.

Implements GasTransport.

Definition at line 407 of file MultiTransport.cpp.

References Phase::getMoleFractions(), GasTransport::m_molefracs, MultiTransport::m_molefracs_last, Transport::m_nsp, Transport::m_thermo, and Cantera::Tiny.

Referenced by HighPressureGasTransport::getMultiDiffCoeffs(), and MultiTransport::getMultiDiffCoeffs().

## ◆ updateThermal_T()

void updateThermal_T | ( |  | ) |
| protected

Update the temperature-dependent terms needed to compute the thermal conductivity and thermal diffusion coefficients.

Definition at line 424 of file MultiTransport.cpp.

References Cantera::Frot(), Cantera::GasConstant, ThermoPhase::getCp_R_ref(), MultiTransport::m_abc_ok, MultiTransport::m_astar, GasTransport::m_astar_poly, GasTransport::m_bdiff, MultiTransport::m_bstar, GasTransport::m_bstar_poly, MultiTransport::m_cstar, GasTransport::m_cstar_poly, GasTransport::m_eps, GasTransport::m_kbt, GasTransport::m_logt, GasTransport::m_mode, GasTransport::m_mw, Transport::m_nsp, GasTransport::m_poly, GasTransport::m_sqrt_t, GasTransport::m_star_poly_uses_actualT, GasTransport::m_temp, Transport::m_thermo, GasTransport::m_visc, GasTransport::m_zrot, Phase::nSpecies(), Cantera::poly6(), Cantera::poly8(), Phase::temperature(), GasTransport::updateDiff_T(), and GasTransport::updateSpeciesViscosities().

Referenced by HighPressureGasTransport::getMultiDiffCoeffs(), and MultiTransport::getMultiDiffCoeffs().

## ◆ eval_L0000()

void eval_L0000 | ( | const doublereal *const | x | ) |
| protected

Evaluate the L0000 matrices.

Evaluate the upper-left block of the L matrix.

Parameters

  x | vector of species mole fractions

Definition at line 491 of file MultiTransport.cpp.

References GasTransport::m_bdiff, GasTransport::m_mw, Transport::m_nsp, and GasTransport::m_temp.

Referenced by HighPressureGasTransport::getMultiDiffCoeffs(), and MultiTransport::getMultiDiffCoeffs().

## ◆ eval_L0010()

void eval_L0010 | ( | const doublereal *const | x | ) |
| protected

Evaluate the L0010 matrices.

Parameters

  x | vector of species mole fractions

Definition at line 513 of file MultiTransport.cpp.

References GasTransport::m_bdiff, MultiTransport::m_cstar, GasTransport::m_mw, Transport::m_nsp, and GasTransport::m_temp.

## ◆ eval_L1000()

void eval_L1000 | ( |  | ) |
| protected

Evaluate the L1000 matrices.

Definition at line 533 of file MultiTransport.cpp.

References Transport::m_nsp.

## ◆ eval_L0100()

void eval_L0100 | ( |  | ) |
| protected

Definition at line 608 of file MultiTransport.cpp.

## ◆ eval_L0001()

void eval_L0001 | ( |  | ) |
| protected

Definition at line 599 of file MultiTransport.cpp.

## ◆ eval_L1010()

void eval_L1010 | ( | const doublereal * | x | ) |
| protected

Definition at line 542 of file MultiTransport.cpp.

## ◆ eval_L1001()

void eval_L1001 | ( | const doublereal * | x | ) |
| protected

Definition at line 576 of file MultiTransport.cpp.

## ◆ eval_L0110()

void eval_L0110 | ( |  | ) |
| protected

Definition at line 617 of file MultiTransport.cpp.

## ◆ eval_L0101()

void eval_L0101 | ( | const doublereal * | x | ) |
| protected

Definition at line 626 of file MultiTransport.cpp.

## ◆ hasInternalModes()

bool hasInternalModes | ( | size_t | j | ) |
| protected

Definition at line 486 of file MultiTransport.cpp.

## ◆ pressure_ig()

double pressure_ig | ( |  | ) |
| protected

Definition at line 109 of file MultiTransport.cpp.

## ◆ solveLMatrixEquation()

void solveLMatrixEquation | ( |  | ) |
| protected virtual

Definition at line 114 of file MultiTransport.cpp.

## Member Data Documentation

## ◆ m_thermal_tlast

doublereal m_thermal_tlast
| protected

Definition at line 125 of file MultiTransport.h.

## ◆ m_astar

DenseMatrix m_astar
| protected

Dense matrix for astar.

Definition at line 128 of file MultiTransport.h.

Referenced by MultiTransport::init(), and MultiTransport::updateThermal_T().

## ◆ m_bstar

DenseMatrix m_bstar
| protected

Dense matrix for bstar.

Definition at line 131 of file MultiTransport.h.

Referenced by MultiTransport::init(), and MultiTransport::updateThermal_T().

## ◆ m_cstar

DenseMatrix m_cstar
| protected

Dense matrix for cstar.

Definition at line 134 of file MultiTransport.h.

Referenced by MultiTransport::eval_L0010(), MultiTransport::init(), and MultiTransport::updateThermal_T().

## ◆ m_cinternal

vector_fp m_cinternal
| protected

Definition at line 136 of file MultiTransport.h.

## ◆ m_sqrt_eps_k

vector_fp m_sqrt_eps_k
| protected

Definition at line 138 of file MultiTransport.h.

## ◆ m_log_eps_k

DenseMatrix m_log_eps_k
| protected

Definition at line 139 of file MultiTransport.h.

## ◆ m_frot_298

vector_fp m_frot_298
| protected

Definition at line 140 of file MultiTransport.h.

## ◆ m_rotrelax

vector_fp m_rotrelax
| protected

Definition at line 141 of file MultiTransport.h.

## ◆ m_lambda

doublereal m_lambda
| protected

Definition at line 143 of file MultiTransport.h.

## ◆ m_Lmatrix

DenseMatrix m_Lmatrix
| protected

Definition at line 146 of file MultiTransport.h.

## ◆ m_aa

DenseMatrix m_aa
| protected

Definition at line 147 of file MultiTransport.h.

## ◆ m_a

vector_fp m_a
| protected

Definition at line 148 of file MultiTransport.h.

## ◆ m_b

vector_fp m_b
| protected

Definition at line 149 of file MultiTransport.h.

## ◆ m_spwork1

vector_fp m_spwork1
| protected

Definition at line 152 of file MultiTransport.h.

## ◆ m_spwork2

vector_fp m_spwork2
| protected

Definition at line 152 of file MultiTransport.h.

## ◆ m_spwork3

vector_fp m_spwork3
| protected

Definition at line 152 of file MultiTransport.h.

## ◆ m_molefracs_last

vector_fp m_molefracs_last
| protected

Mole fraction vector from last L-matrix evaluation.

Definition at line 155 of file MultiTransport.h.

Referenced by MultiTransport::init(), and MultiTransport::update_C().

## ◆ m_abc_ok

bool m_abc_ok
| protected

Boolean indicating viscosity is up to date.

Definition at line 160 of file MultiTransport.h.

Referenced by MultiTransport::init(), MultiTransport::update_T(), and MultiTransport::updateThermal_T().

## ◆ m_l0000_ok

bool m_l0000_ok
| protected

Definition at line 161 of file MultiTransport.h.

## ◆ m_lmatrix_soln_ok

bool m_lmatrix_soln_ok
| protected

Definition at line 162 of file MultiTransport.h.

## ◆ incl

DenseMatrix incl
| protected

Definition at line 191 of file MultiTransport.h.

## ◆ m_debug

bool m_debug
| protected

Definition at line 192 of file MultiTransport.h.

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

- MultiTransport.h
- MultiTransport.cpp