Class MultiTransport implements multicomponent transport properties for ideal gas mixtures. 
The implementation generally follows the procedure outlined in Kee, et al. [17]. 
Definition at line 25 of file MultiTransport.h.
 | 
|   | MultiTransport ()=default | 
|   | default constructor  
  | 
|   | 
| string  | transportModel () const override | 
|   | Identifies the model represented by this Transport object.  
  | 
|   | 
| void  | getThermalDiffCoeffs (double *const dt) override | 
|   | Return the thermal diffusion coefficients (kg/m/s)  
  | 
|   | 
| double  | thermalConductivity () override | 
|   | Returns the mixture thermal conductivity in W/m/K.  
  | 
|   | 
| void  | getMultiDiffCoeffs (const size_t ld, double *const d) override | 
|   | Return the Multicomponent diffusion coefficients. Units: [m^2/s].  
  | 
|   | 
| void  | getSpeciesFluxes (size_t ndim, const double *const grad_T, size_t ldx, const double *const grad_X, size_t ldf, double *const fluxes) override | 
|   | Get the species diffusive mass fluxes wrt to the mass averaged velocity, given the gradients in mole fraction and temperature.  
  | 
|   | 
| void  | getMolarFluxes (const double *const state1, const double *const state2, const double delta, double *const fluxes) override | 
|   | Get the molar diffusional fluxes [kmol/m^2/s] of the species, given the thermodynamic state at two nearby points.  
  | 
|   | 
| void  | getMassFluxes (const double *state1, const double *state2, double delta, double *fluxes) override | 
|   | Get the mass diffusional fluxes [kg/m^2/s] of the species, given the thermodynamic state at two nearby points.  
  | 
|   | 
| void  | init (ThermoPhase *thermo, int mode=0, int log_level=-7) override | 
|   | Initialize a transport manager.  
  | 
|   | 
| void  | invalidateCache () override | 
|   | Invalidate any cached values which are normally updated only when a change in state is detected.  
  | 
|   | 
| double  | viscosity () override | 
|   | Viscosity of the mixture (kg /m /s)  
  | 
|   | 
| void  | getSpeciesViscosities (double *const visc) override | 
|   | Get the pure-species viscosities.  
  | 
|   | 
| void  | getBinaryDiffCoeffs (const size_t ld, double *const d) override | 
|   | Returns the matrix of binary diffusion coefficients.  
  | 
|   | 
| void  | getMixDiffCoeffs (double *const d) override | 
|   | Returns the Mixture-averaged diffusion coefficients [m^2/s].  
  | 
|   | 
| void  | getMixDiffCoeffsMole (double *const d) override | 
|   | Returns the mixture-averaged diffusion coefficients [m^2/s].  
  | 
|   | 
| void  | getMixDiffCoeffsMass (double *const d) override | 
|   | Returns the mixture-averaged diffusion coefficients [m^2/s].  
  | 
|   | 
| void  | getViscosityPolynomial (size_t i, double *coeffs) const override | 
|   | Return the polynomial fits to the viscosity of species i.  
  | 
|   | 
| void  | getConductivityPolynomial (size_t i, double *coeffs) const override | 
|   | Return the temperature fits of the heat conductivity of species i.  
  | 
|   | 
| void  | getBinDiffusivityPolynomial (size_t i, size_t j, double *coeffs) const override | 
|   | Return the polynomial fits to the binary diffusivity of species pair (i, j)  
  | 
|   | 
| void  | getCollisionIntegralPolynomial (size_t i, size_t j, double *astar_coeffs, double *bstar_coeffs, double *cstar_coeffs) const override | 
|   | Return the polynomial fits to the collision integral of species pair (i, j)  
  | 
|   | 
| void  | setViscosityPolynomial (size_t i, double *coeffs) override | 
|   | Modify the polynomial fits to the viscosity of species i.  
  | 
|   | 
| void  | setConductivityPolynomial (size_t i, double *coeffs) override | 
|   | Modify the temperature fits of the heat conductivity of species i.  
  | 
|   | 
| void  | setBinDiffusivityPolynomial (size_t i, size_t j, double *coeffs) override | 
|   | Modify the polynomial fits to the binary diffusivity of species pair (i, j)  
  | 
|   | 
| void  | setCollisionIntegralPolynomial (size_t i, size_t j, double *astar_coeffs, double *bstar_coeffs, double *cstar_coeffs, bool actualT) override | 
|   | Modify the polynomial fits to the collision integral of species pair (i, j)  
  | 
|   | 
| void  | init (ThermoPhase *thermo, int mode=0, int log_level=-7) override | 
|   | Initialize a transport manager.  
  | 
|   | 
| bool  | CKMode () const override | 
|   | Boolean indicating the form of the transport properties polynomial fits.  
  | 
|   | 
| void  | invalidateCache () override | 
|   | Invalidate any cached values which are normally updated only when a change in state is detected.  
  | 
|   | 
|   | Transport ()=default | 
|   | Constructor.  
  | 
|   | 
| 
  | Transport (const Transport &)=delete | 
|   | 
| 
Transport &  | operator= (const Transport &)=delete | 
|   | 
| virtual string  | transportModel () const | 
|   | Identifies the model represented by this Transport object.  
  | 
|   | 
| ThermoPhase &  | thermo () | 
|   | Phase object.  
  | 
|   | 
| void  | checkSpeciesIndex (size_t k) const | 
|   | Check that the specified species index is in range.  
  | 
|   | 
| void  | checkSpeciesArraySize (size_t kk) const | 
|   | Check that an array size is at least nSpecies().  
  | 
|   | 
| virtual void  | getSpeciesFluxes (size_t ndim, const double *const grad_T, size_t ldx, const double *const grad_X, size_t ldf, double *const fluxes) | 
|   | Get the species diffusive mass fluxes wrt to the specified solution averaged velocity, given the gradients in mole fraction and temperature.  
  | 
|   | 
| virtual void  | getMolarFluxes (const double *const state1, const double *const state2, const double delta, double *const cfluxes) | 
|   | Get the molar fluxes [kmol/m^2/s], given the thermodynamic state at two nearby points.  
  | 
|   | 
| virtual void  | getMassFluxes (const double *state1, const double *state2, double delta, double *mfluxes) | 
|   | Get the mass fluxes [kg/m^2/s], given the thermodynamic state at two nearby points.  
  | 
|   | 
| virtual void  | getThermalDiffCoeffs (double *const dt) | 
|   | Return a vector of Thermal diffusion coefficients [kg/m/sec].  
  | 
|   | 
| virtual void  | getBinaryDiffCoeffs (const size_t ld, double *const d) | 
|   | Returns the matrix of binary diffusion coefficients [m^2/s].  
  | 
|   | 
| virtual void  | getMultiDiffCoeffs (const size_t ld, double *const d) | 
|   | Return the Multicomponent diffusion coefficients. Units: [m^2/s].  
  | 
|   | 
| virtual void  | getMixDiffCoeffs (double *const d) | 
|   | Returns a vector of mixture averaged diffusion coefficients.  
  | 
|   | 
| virtual void  | getMixDiffCoeffsMole (double *const d) | 
|   | Returns a vector of mixture averaged diffusion coefficients.  
  | 
|   | 
| virtual void  | getMixDiffCoeffsMass (double *const d) | 
|   | Returns a vector of mixture averaged diffusion coefficients.  
  | 
|   | 
| virtual void  | getViscosityPolynomial (size_t i, double *coeffs) const | 
|   | Return the polynomial fits to the viscosity of species i.  
  | 
|   | 
| virtual void  | getConductivityPolynomial (size_t i, double *coeffs) const | 
|   | Return the temperature fits of the heat conductivity of species i.  
  | 
|   | 
| 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)  
  | 
|   | 
| 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)  
  | 
|   | 
| virtual void  | setViscosityPolynomial (size_t i, double *coeffs) | 
|   | Modify the polynomial fits to the viscosity of species i.  
  | 
|   | 
| virtual void  | setConductivityPolynomial (size_t i, double *coeffs) | 
|   | Modify the temperature fits of the heat conductivity of species i.  
  | 
|   | 
| virtual void  | setBinDiffusivityPolynomial (size_t i, size_t j, double *coeffs) | 
|   | Modify the polynomial fits to the binary diffusivity of species pair (i, j)  
  | 
|   | 
| 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)  
  | 
|   | 
| AnyMap  | parameters () const | 
|   | Return the parameters for a phase definition which are needed to reconstruct an identical object using the newTransport function.  
  | 
|   | 
| AnyMap  | fittingErrors () const | 
|   | Get error metrics about any functional fits calculated for pure species transport properties.  
  | 
|   | 
| virtual void  | invalidateCache () | 
|   | Invalidate any cached values which are normally updated only when a change in state is detected.  
  | 
|   | 
| virtual double  | bulkViscosity () | 
|   | The bulk viscosity in Pa-s.  
  | 
|   | 
| virtual double  | electricalConductivity () | 
|   | The electrical conductivity (Siemens/m).  
  | 
|   | 
| virtual void  | getMobilities (double *const mobil_e) | 
|   | Get the Electrical mobilities (m^2/V/s).  
  | 
|   | 
 | 
| void  | update_T () override | 
|   | Update basic temperature-dependent quantities if the temperature has changed.  
  | 
|   | 
| void  | update_C () override | 
|   | Update basic concentration-dependent quantities if the concentrations have changed.  
  | 
|   | 
| void  | updateThermal_T () | 
|   | Update the temperature-dependent terms needed to compute the thermal conductivity and thermal diffusion coefficients.  
  | 
|   | 
| void  | eval_L0000 (const double *const x) | 
|   | Evaluate the L0000 matrices.  
  | 
|   | 
| void  | eval_L0010 (const double *const x) | 
|   | Evaluate the L0010 matrices.  
  | 
|   | 
| void  | eval_L1000 () | 
|   | Evaluate the L1000 matrices.  
  | 
|   | 
| void  | eval_L0100 () | 
|   | 
| void  | eval_L0001 () | 
|   | 
| void  | eval_L1010 (const double *x) | 
|   | 
| void  | eval_L1001 (const double *x) | 
|   | 
| void  | eval_L0110 () | 
|   | 
| void  | eval_L0101 (const double *x) | 
|   | 
| bool  | hasInternalModes (size_t j) | 
|   | 
| double  | pressure_ig () | 
|   | 
| virtual void  | solveLMatrixEquation () | 
|   | 
| virtual void  | update_T () | 
|   | 
| virtual void  | update_C ()=0 | 
|   | 
| virtual void  | updateViscosity_T () | 
|   | Update the temperature-dependent viscosity terms.  
  | 
|   | 
| virtual void  | updateSpeciesViscosities () | 
|   | Update the pure-species viscosities.  
  | 
|   | 
| virtual void  | updateDiff_T () | 
|   | Update the binary diffusion coefficients.  
  | 
|   | 
| virtual void  | setupCollisionParameters () | 
|   | Setup parameters for a new kinetic-theory-based transport manager for low-density gases.  
  | 
|   | 
| void  | setupCollisionIntegral () | 
|   | Setup range for polynomial fits to collision integrals of Monchick & Mason [29].  
  | 
|   | 
| void  | getTransportData () | 
|   | Read the transport database.  
  | 
|   | 
| void  | makePolarCorrections (size_t i, size_t j, double &f_eps, double &f_sigma) | 
|   | Corrections for polar-nonpolar binary diffusion coefficients.  
  | 
|   | 
| void  | fitCollisionIntegrals (MMCollisionInt &integrals) | 
|   | Generate polynomial fits to collision integrals.  
  | 
|   | 
| virtual void  | fitProperties (MMCollisionInt &integrals) | 
|   | Generate polynomial fits to the viscosity \( \eta \) and conductivity \( \lambda \).  
  | 
|   | 
| virtual void  | fitDiffCoeffs (MMCollisionInt &integrals) | 
|   | Generate polynomial fits to the binary diffusion coefficients.  
  | 
|   | 
| void  | getBinDiffCorrection (double t, MMCollisionInt &integrals, size_t k, size_t j, double xk, double xj, double &fkj, double &fjk) | 
|   | Second-order correction to the binary diffusion coefficients.  
  | 
|   | 
 | 
| double  | m_thermal_tlast | 
|   | 
| DenseMatrix  | m_astar | 
|   | Dense matrix for astar.  
  | 
|   | 
| DenseMatrix  | m_bstar | 
|   | Dense matrix for bstar.  
  | 
|   | 
| DenseMatrix  | m_cstar | 
|   | Dense matrix for cstar.  
  | 
|   | 
| vector< double >  | m_cinternal | 
|   | 
| vector< double >  | m_sqrt_eps_k | 
|   | 
| DenseMatrix  | m_log_eps_k | 
|   | 
| vector< double >  | m_frot_298 | 
|   | 
| vector< double >  | m_rotrelax | 
|   | 
| double  | m_lambda | 
|   | 
| DenseMatrix  | m_Lmatrix | 
|   | 
| DenseMatrix  | m_aa | 
|   | 
| vector< double >  | m_a | 
|   | 
| vector< double >  | m_b | 
|   | 
| vector< double >  | m_spwork1 | 
|   | 
| vector< double >  | m_spwork2 | 
|   | 
| vector< double >  | m_spwork3 | 
|   | 
| vector< double >  | m_molefracs_last | 
|   | Mole fraction vector from last L-matrix evaluation.  
  | 
|   | 
| bool  | m_l0000_ok | 
|   | Boolean indicating viscosity is up to date.  
  | 
|   | 
| bool  | m_lmatrix_soln_ok | 
|   | 
| bool  | m_debug | 
|   | 
| vector< double >  | m_molefracs | 
|   | Vector of species mole fractions.  
  | 
|   | 
| double  | m_viscmix = 0.0 | 
|   | Internal storage for the viscosity of the mixture (kg /m /s)  
  | 
|   | 
| bool  | m_visc_ok = false | 
|   | Update boolean for mixture rule for the mixture viscosity.  
  | 
|   | 
| bool  | m_viscwt_ok = false | 
|   | Update boolean for the weighting factors for the mixture viscosity.  
  | 
|   | 
| bool  | m_spvisc_ok = false | 
|   | Update boolean for the species viscosities.  
  | 
|   | 
| bool  | m_bindiff_ok = false | 
|   | Update boolean for the binary diffusivities at unit pressure.  
  | 
|   | 
| int  | m_mode = 0 | 
|   | Type of the polynomial fits to temperature.  
  | 
|   | 
| DenseMatrix  | m_phi | 
|   | m_phi is a Viscosity Weighting Function. size = m_nsp * n_nsp  
  | 
|   | 
| vector< double >  | m_spwork | 
|   | work space length = m_kk  
  | 
|   | 
| vector< double >  | m_visc | 
|   | vector of species viscosities (kg /m /s).  
  | 
|   | 
| vector< vector< double > >  | m_visccoeffs | 
|   | Polynomial fits to the viscosity of each species.  
  | 
|   | 
| vector< double >  | m_mw | 
|   | Local copy of the species molecular weights.  
  | 
|   | 
| DenseMatrix  | m_wratjk | 
|   | Holds square roots of molecular weight ratios.  
  | 
|   | 
| DenseMatrix  | m_wratkj1 | 
|   | Holds square roots of molecular weight ratios.  
  | 
|   | 
| vector< double >  | m_sqvisc | 
|   | vector of square root of species viscosities sqrt(kg /m /s).  
  | 
|   | 
| vector< double >  | m_polytempvec | 
|   | Powers of the ln temperature, up to fourth order.  
  | 
|   | 
| double  | m_temp = -1.0 | 
|   | Current value of the temperature at which the properties in this object are calculated (Kelvin).  
  | 
|   | 
| double  | m_kbt = 0.0 | 
|   | Current value of Boltzmann constant times the temperature (Joules)  
  | 
|   | 
| double  | m_sqrt_t = 0.0 | 
|   | current value of temperature to 1/2 power  
  | 
|   | 
| double  | m_logt = 0.0 | 
|   | Current value of the log of the temperature.  
  | 
|   | 
| double  | m_t14 = 0.0 | 
|   | Current value of temperature to 1/4 power.  
  | 
|   | 
| vector< vector< double > >  | m_diffcoeffs | 
|   | Polynomial fits to the binary diffusivity of each species.  
  | 
|   | 
| DenseMatrix  | m_bdiff | 
|   | Matrix of binary diffusion coefficients at the reference pressure and the current temperature Size is nsp x nsp.  
  | 
|   | 
| vector< vector< double > >  | m_condcoeffs | 
|   | temperature fits of the heat conduction  
  | 
|   | 
| vector< vector< int > >  | m_poly | 
|   | Indices for the (i,j) interaction in collision integral fits.  
  | 
|   | 
| vector< vector< double > >  | m_omega22_poly | 
|   | Fit for omega22 collision integral.  
  | 
|   | 
| 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.  
  | 
|   | 
| vector< vector< double > >  | m_astar_poly | 
|   | Fit for astar collision integral.  
  | 
|   | 
| vector< vector< double > >  | m_bstar_poly | 
|   | Fit for bstar collision integral.  
  | 
|   | 
| vector< vector< double > >  | m_cstar_poly | 
|   | Fit for cstar collision integral.  
  | 
|   | 
| vector< double >  | m_zrot | 
|   | Rotational relaxation number for each species.  
  | 
|   | 
| vector< double >  | m_crot | 
|   | Dimensionless rotational heat capacity of each species.  
  | 
|   | 
| vector< bool >  | m_polar | 
|   | Vector of booleans indicating whether a species is a polar molecule.  
  | 
|   | 
| vector< double >  | m_alpha | 
|   | Polarizability of each species in the phase.  
  | 
|   | 
| vector< double >  | m_eps | 
|   | Lennard-Jones well-depth of the species in the current phase.  
  | 
|   | 
| vector< double >  | m_sigma | 
|   | Lennard-Jones diameter of the species in the current phase.  
  | 
|   | 
| DenseMatrix  | m_reducedMass | 
|   | This is the reduced mass of the interaction between species i and j.  
  | 
|   | 
| DenseMatrix  | m_diam | 
|   | hard-sphere diameter for (i,j) collision  
  | 
|   | 
| DenseMatrix  | m_epsilon | 
|   | The effective well depth for (i,j) collisions.  
  | 
|   | 
| DenseMatrix  | m_dipole | 
|   | The effective dipole moment for (i,j) collisions.  
  | 
|   | 
| DenseMatrix  | m_delta | 
|   | Reduced dipole moment of the interaction between two species.  
  | 
|   | 
| vector< double >  | m_w_ac | 
|   | Pitzer acentric factor.  
  | 
|   | 
| vector< double >  | m_disp | 
|   | Dispersion coefficient.  
  | 
|   | 
| vector< double >  | m_quad_polar | 
|   | Quadrupole polarizability.  
  | 
|   | 
| int  | m_log_level = 0 | 
|   | Level of verbose printing during initialization.  
  | 
|   | 
| ThermoPhase *  | m_thermo | 
|   | pointer to the object representing the phase  
  | 
|   | 
| size_t  | m_nsp = 0 | 
|   | Number of species.  
  | 
|   | 
| AnyMap  | m_fittingErrors | 
|   | Maximum errors associated with fitting pure species transport properties.  
  | 
|   |