HighPressureGasTransport Class Reference#
Class MultiTransport implements transport properties for high pressure gas mixtures. More...
#include <HighPressureGasTransport.h>
Detailed Description
Class MultiTransport implements transport properties for high pressure gas mixtures.
- Attention
- This class currently does not have any test cases or examples. Its implementation may be incomplete, and future changes to Cantera may unexpectedly cause this class to stop working. If you use this class, please consider contributing examples or test cases. In the absence of new tests or examples, this class may be deprecated and removed in a future version of Cantera. See https://github.com/Cantera/cantera/issues/267 for additional information.
The implementation employs a method of corresponding states, using the Takahashi [42] approach for binary diffusion coefficients (using multicomponent averaging rules for the mixture properties), and the Lucas method for the viscosity of a high-pressure gas mixture. All methods are described in Poling et al. [33] (viscosity in Ch. 9, thermal conductivity in Ch. 10, and diffusion coefficients in Ch. 11).
Definition at line 40 of file HighPressureGasTransport.h.
Public Member Functions | |
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 | getBinaryDiffCoeffs (const size_t ld, double *const d) override |
Returns the matrix of binary diffusion coefficients. | |
void | getMultiDiffCoeffs (const size_t ld, double *const d) override |
Return the Multicomponent diffusion coefficients. Units: [m^2/s]. | |
double | viscosity () override |
Viscosity of the mixture (kg /m /s) | |
Public Member Functions inherited from MultiTransport | |
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=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 ()=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. | |
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). | |
Protected Member Functions | |
HighPressureGasTransport ()=default | |
default constructor | |
double | Tcrit_i (size_t i) |
double | Pcrit_i (size_t i) |
double | Vcrit_i (size_t i) |
double | Zcrit_i (size_t i) |
vector< double > | store (size_t i, size_t nsp) |
double | FQ_i (double Q, double Tr, double MW) |
double | setPcorr (double Pr, double Tr) |
Protected Member Functions inherited from MultiTransport | |
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 () |
Protected Member Functions inherited from GasTransport | |
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. | |
Friends | |
class | TransportFactory |
Additional Inherited Members | |
Protected Attributes inherited from MultiTransport | |
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 |
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 | |
size_t | m_nsp = 0 |
Number of species. | |
Constructor & Destructor Documentation
◆ HighPressureGasTransport()
|
protecteddefault |
default constructor
Member Function Documentation
◆ transportModel()
|
inlineoverridevirtual |
Identifies the model represented by this Transport object.
Each derived class should override this method to return a meaningful identifier.
- Since
- New in Cantera 3.0. The name returned by this method corresponds to the canonical name used in the YAML input format.
Reimplemented from Transport.
Definition at line 47 of file HighPressureGasTransport.h.
◆ getThermalDiffCoeffs()
|
overridevirtual |
Return the thermal diffusion coefficients (kg/m/s)
Currently not implemented for this model
Reimplemented from Transport.
Definition at line 112 of file HighPressureGasTransport.cpp.
◆ thermalConductivity()
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overridevirtual |
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.
Definition at line 22 of file HighPressureGasTransport.cpp.
◆ getBinaryDiffCoeffs()
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overridevirtual |
Returns the matrix of binary diffusion coefficients.
d[ld*j + i] = rp*m_bdiff(i,j)*(DP)_R;
- Parameters
-
ld offset of rows in the storage d output vector of diffusion coefficients. Units of m**2 / s
Reimplemented from GasTransport.
Definition at line 123 of file HighPressureGasTransport.cpp.
◆ getMultiDiffCoeffs()
|
overridevirtual |
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.
Definition at line 180 of file HighPressureGasTransport.cpp.
◆ viscosity()
|
overridevirtual |
Viscosity of the mixture (kg /m /s)
The viscosity is computed using the Wilke mixture rule (kg /m /s)
\[ \mu = \sum_k \frac{\mu_k X_k}{\sum_j \Phi_{k,j} X_j}. \]
Here \( \mu_k \) is the viscosity of pure species k, and
\[ \Phi_{k,j} = \frac{\left[1 + \sqrt{\left(\frac{\mu_k}{\mu_j}\sqrt{\frac{M_j}{M_k}}\right)}\right]^2} {\sqrt{8}\sqrt{1 + M_k/M_j}} \]
- Returns
- the viscosity of the mixture (units = Pa s = kg /m /s)
- See also
- updateViscosity_T()
Reimplemented from GasTransport.
Definition at line 264 of file HighPressureGasTransport.cpp.
◆ Tcrit_i()
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protected |
Definition at line 382 of file HighPressureGasTransport.cpp.
◆ Pcrit_i()
|
protected |
Definition at line 393 of file HighPressureGasTransport.cpp.
◆ Vcrit_i()
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protected |
Definition at line 404 of file HighPressureGasTransport.cpp.
◆ Zcrit_i()
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protected |
Definition at line 415 of file HighPressureGasTransport.cpp.
◆ store()
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protected |
Definition at line 426 of file HighPressureGasTransport.cpp.
◆ FQ_i()
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protected |
Definition at line 438 of file HighPressureGasTransport.cpp.
◆ setPcorr()
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protected |
Definition at line 446 of file HighPressureGasTransport.cpp.
Friends And Related Symbol Documentation
◆ TransportFactory
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friend |
Definition at line 73 of file HighPressureGasTransport.h.
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