Cantera 2.6.0

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

Class UnityLewisTransport implements the unity Lewis number approximation for the mixture-averaged species diffusion coefficients. More...

`#include <UnityLewisTransport.h>`

Inheritance diagram for UnityLewisTransport:
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Collaboration diagram for UnityLewisTransport:
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## Public Member Functions
virtual std::string | transportType () const
| Identifies the Transport object type. More...
virtual void | getMixDiffCoeffs (double *const d)
| Returns the unity Lewis number approximation based diffusion coefficients [m^2/s]. More...
virtual void | getMixDiffCoeffsMole (double *const d)
| Not implemented for unity Lewis number approximation. More...
virtual void | getMixDiffCoeffsMass (double *const d)
| Returns the unity Lewis number approximation based diffusion coefficients [m^2/s]. More...
Public Member Functions inherited from MixTransport
| MixTransport ()
| 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. More...
virtual doublereal | thermalConductivity ()
| Returns the mixture thermal conductivity (W/m /K) More...
virtual void | getMobilities (doublereal *const mobil)
| Get the Electrical mobilities (m^2/V/s). More...
virtual void | update_T ()
| Update the internal parameters whenever the temperature has changed. More...
virtual void | update_C ()
| Update the internal parameters whenever the concentrations have changed. 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 | 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 | 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...

## Additional Inherited Members
Protected Member Functions inherited from MixTransport
void | updateCond_T ()
| Update the temperature dependent parts of the species thermal conductivities. More...
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 inherited from MixTransport
vector_fp | m_cond
| vector of species thermal conductivities (W/m /K) More...
doublereal | m_lambda
| Internal storage for the calculated mixture thermal conductivity. More...
bool | m_spcond_ok
| Update boolean for the species thermal conductivities. More...
bool | m_condmix_ok
| Update boolean for the mixture rule for the mixture thermal conductivity. More...
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 UnityLewisTransport implements the unity Lewis number approximation for the mixture-averaged species diffusion coefficients.

Mixture-averaged transport properties for viscosity and thermal conductivity are inherited from the MixTransport class.

Definition at line 25 of file UnityLewisTransport.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 from MixTransport.

Definition at line 30 of file UnityLewisTransport.h.

## ◆ getMixDiffCoeffs()

virtual void getMixDiffCoeffs | ( | double *const | d | ) |
| inline virtual

Returns the unity Lewis number approximation based diffusion coefficients [m^2/s].

Returns the unity Lewis number approximation based diffusion coefficients for a gas, appropriate for calculating the mass averaged diffusive flux with respect to the mass averaged velocity using gradients of the mole fraction.

\[ D^\prime_{km} = \frac{\lambda}{\rho c_p} \]

In order to obtain the expected behavior from a unity Lewis number model, this formulation requires that the correction velocity be computed as

\[ V_c = \sum \frac{W_k}{\overline{W}} D^\prime_{km} \nabla X_k \]

Parameters

  [out] | d | Vector of diffusion coefficients for each species (m^2/s). length m_nsp.

Reimplemented from GasTransport.

Definition at line 56 of file UnityLewisTransport.h.

References ThermoPhase::cp_mass(), Phase::density(), Transport::m_nsp, Transport::m_thermo, and MixTransport::thermalConductivity().

## ◆ getMixDiffCoeffsMole()

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

Not implemented for unity Lewis number approximation.

Reimplemented from GasTransport.

Definition at line 64 of file UnityLewisTransport.h.

## ◆ getMixDiffCoeffsMass()

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

Returns the unity Lewis number approximation based diffusion coefficients [m^2/s].

These are the coefficients for calculating the diffusive mass fluxes from the species mass fraction gradients, computed as

\[ D_{km} = \frac{\lambda}{\rho c_p} \]

Parameters

  [out] | d | Vector of diffusion coefficients for each species (m^2/s). length m_nsp.

Reimplemented from GasTransport.

Definition at line 81 of file UnityLewisTransport.h.

References ThermoPhase::cp_mass(), Phase::density(), Transport::m_nsp, Transport::m_thermo, and MixTransport::thermalConductivity().

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

- UnityLewisTransport.h