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Cantera
3.0.0
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Cantera
3.0.0
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Class UnityLewisTransport implements the unity Lewis number approximation for the mixture-averaged species diffusion coefficients. More...
#include <UnityLewisTransport.h>
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.
Public Member Functions | |
| string | transportModel () const override |
| Identifies the model represented by this Transport object. | |
| void | getMixDiffCoeffs (double *const d) override |
| Returns the unity Lewis number approximation based diffusion coefficients [m^2/s]. | |
| void | getMixDiffCoeffsMole (double *const d) override |
| Not implemented for unity Lewis number approximation. | |
| void | getMixDiffCoeffsMass (double *const d) override |
| Returns the unity Lewis number approximation based diffusion coefficients [m^2/s]. | |
 Public Member Functions inherited from MixTransport | |
| MixTransport ()=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. | |
| double | thermalConductivity () override |
| Returns the mixture thermal conductivity (W/m /K) | |
| void | getMobilities (double *const mobil) override |
| Get the Electrical mobilities (m^2/V/s). | |
| void | update_T () override |
| Update the internal parameters whenever the temperature has changed. | |
| void | update_C () override |
| Update the internal parameters whenever the concentrations have changed. | |
| 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 | init (ThermoPhase *thermo, int mode=0, int log_level=0) override |
| Initialize a transport manager. | |
| Public Member Functions inherited from GasTransport | |
| 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=0) override |
| Initialize a transport manager. | |
| bool | CKMode () const override |
| Boolean indicating the form of the transport properties polynomial fits. | |
| Public Member Functions inherited from Transport | |
| Transport (ThermoPhase *thermo=0, size_t ndim=npos) | |
| Constructor. | |
| Transport (const Transport &)=delete | |
| Transport & | operator= (const Transport &)=delete |
| virtual string | transportModel () const |
| Identifies the model represented by this Transport object. | |
| string | transportType () const |
| Identifies the Transport object type. | |
| ThermoPhase & | thermo () |
| Phase object. | |
| bool | ready () |
| Returns true if the transport manager is ready for use. | |
| void | setNDim (const int ndim) |
| Set the number of dimensions to be expected in flux expressions. | |
| size_t | nDim () const |
| Return the number of dimensions in flux expressions. | |
| 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 double | getElectricConduct () |
| Compute the mixture electrical conductivity (S m-1) at the current conditions of the phase (Siemens m-1) | |
| virtual void | getElectricCurrent (int ndim, const double *grad_T, int ldx, const double *grad_X, int ldf, const double *grad_V, double *current) |
| Compute the electric current density in A/m^2. | |
| 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 | getSpeciesFluxesES (size_t ndim, const double *grad_T, size_t ldx, const double *grad_X, size_t ldf, const double *grad_Phi, double *fluxes) |
| Get the species diffusive mass fluxes wrt to the mass averaged velocity, given the gradients in mole fraction, temperature and electrostatic potential. | |
| virtual void | getSpeciesVdiff (size_t ndim, const double *grad_T, int ldx, const double *grad_X, int ldf, double *Vdiff) |
| Get the species diffusive velocities wrt to the mass averaged velocity, given the gradients in mole fraction and temperature. | |
| virtual void | getSpeciesVdiffES (size_t ndim, const double *grad_T, int ldx, const double *grad_X, int ldf, const double *grad_Phi, double *Vdiff) |
| Get the species diffusive velocities wrt to the mass averaged velocity, given the gradients in mole fraction, temperature, and electrostatic potential. | |
| 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) | |
| virtual void | setParameters (const int type, const int k, const double *const p) |
| Set model parameters for derived classes. | |
| AnyMap | parameters () const |
| Return the parameters for a phase definition which are needed to reconstruct an identical object using the newTransport function. | |
| void | setVelocityBasis (VelocityBasis ivb) |
| Sets the velocity basis. | |
| VelocityBasis | getVelocityBasis () const |
| Gets the velocity basis. | |
| virtual double | bulkViscosity () |
| The bulk viscosity in Pa-s. | |
| virtual double | ionConductivity () |
| The ionic conductivity in 1/ohm/m. | |
| virtual void | getSpeciesIonConductivity (double *const ionCond) |
| Returns the pure species ionic conductivity. | |
| virtual void | mobilityRatio (double *mobRat) |
| Returns the pointer to the mobility ratios of the species in the phase. | |
| virtual void | getSpeciesMobilityRatio (double **mobRat) |
| Returns the pure species limit of the mobility ratios. | |
| virtual double | electricalConductivity () |
| The electrical conductivity (Siemens/m). | |
| virtual void | getFluidMobilities (double *const mobil_f) |
| Get the fluid mobilities (s kmol/kg). | |
| virtual void | setThermo (ThermoPhase &thermo) |
| Specifies the ThermoPhase object. | |
| virtual void | setRoot (shared_ptr< Solution > root) |
| Set root Solution holding all phase information. | |
Additional Inherited Members | |
| Protected Member Functions inherited from MixTransport | |
| void | updateCond_T () |
| Update the temperature dependent parts of the species thermal conductivities. | |
| 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. | |
| 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 [27]. | |
| 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. | |
| Protected Member Functions inherited from Transport | |
| void | finalize () |
| Enable the transport object for use. | |
| Protected Attributes inherited from MixTransport | |
| vector< double > | m_cond |
| vector of species thermal conductivities (W/m /K) | |
| double | m_lambda = 0.0 |
| Internal storage for the calculated mixture thermal conductivity. | |
| bool | m_spcond_ok = false |
| Update boolean for the species thermal conductivities. | |
| bool | m_condmix_ok = false |
| Update boolean for the mixture rule for the mixture thermal conductivity. | |
| Protected Attributes inherited from GasTransport | |
| 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. | |
| Protected Attributes inherited from Transport | |
| ThermoPhase * | m_thermo |
| pointer to the object representing the phase | |
| bool | m_ready = false |
| true if finalize has been called | |
| size_t | m_nsp = 0 |
| Number of species. | |
| size_t | m_nDim |
| Number of dimensions used in flux expressions. | |
| int | m_velocityBasis = VB_MASSAVG |
| Velocity basis from which diffusion velocities are computed. | |
| std::weak_ptr< Solution > | m_root |
| reference to Solution | |
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inlineoverridevirtual |
Identifies the model represented by this Transport object.
Each derived class should override this method to return a meaningful identifier.
Reimplemented from MixTransport.
Definition at line 30 of file UnityLewisTransport.h.
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inlineoverridevirtual |
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
\[ V_c = \sum \frac{W_k}{\overline{W}} D^\prime_{km} \nabla X_k \]
| [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.
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inlineoverridevirtual |
Not implemented for unity Lewis number approximation.
Reimplemented from GasTransport.
Definition at line 64 of file UnityLewisTransport.h.
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inlineoverridevirtual |
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
\[ D_{km} = \frac{\lambda}{\rho c_p} \]
| [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.
1.9.7