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