Cantera
3.1.0a1
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Class GasTransport implements some functions and properties that are shared by the MixTransport and MultiTransport classes. More...
#include <GasTransport.h>
Class GasTransport implements some functions and properties that are shared by the MixTransport and MultiTransport classes.
For details, see Kee, et al. [15] and [16].
Definition at line 25 of file GasTransport.h.
Public Member Functions | |
double | viscosity () override |
Viscosity of the mixture (kg /m /s) More... | |
void | getSpeciesViscosities (double *const visc) override |
Get the pure-species viscosities. More... | |
void | getBinaryDiffCoeffs (const size_t ld, double *const d) override |
Returns the matrix of binary diffusion coefficients. More... | |
void | getMixDiffCoeffs (double *const d) override |
Returns the Mixture-averaged diffusion coefficients [m^2/s]. More... | |
void | getMixDiffCoeffsMole (double *const d) override |
Returns the mixture-averaged diffusion coefficients [m^2/s]. More... | |
void | getMixDiffCoeffsMass (double *const d) override |
Returns the mixture-averaged diffusion coefficients [m^2/s]. More... | |
void | getViscosityPolynomial (size_t i, double *coeffs) const override |
Return the polynomial fits to the viscosity of species i. More... | |
void | getConductivityPolynomial (size_t i, double *coeffs) const override |
Return the temperature fits of the heat conductivity of species i. More... | |
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) More... | |
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) More... | |
void | setViscosityPolynomial (size_t i, double *coeffs) override |
Modify the polynomial fits to the viscosity of species i. More... | |
void | setConductivityPolynomial (size_t i, double *coeffs) override |
Modify the temperature fits of the heat conductivity of species i. More... | |
void | setBinDiffusivityPolynomial (size_t i, size_t j, double *coeffs) override |
Modify the polynomial fits to the binary diffusivity of species pair (i, j) More... | |
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) More... | |
void | init (ThermoPhase *thermo, int mode=0, int log_level=0) override |
Initialize a transport manager. More... | |
bool | CKMode () const override |
Boolean indicating the form of the transport properties polynomial fits. More... | |
Public Member Functions inherited from Transport | |
Transport ()=default | |
Constructor. More... | |
Transport (const Transport &)=delete | |
Transport & | operator= (const Transport &)=delete |
virtual string | transportModel () const |
Identifies the model represented by this Transport object. More... | |
ThermoPhase & | thermo () |
Phase object. 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 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. More... | |
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. More... | |
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. More... | |
virtual void | getThermalDiffCoeffs (double *const dt) |
Return a vector of Thermal diffusion coefficients [kg/m/sec]. More... | |
virtual void | getMultiDiffCoeffs (const size_t ld, double *const d) |
Return the Multicomponent diffusion coefficients. Units: [m^2/s]. More... | |
AnyMap | parameters () const |
Return the parameters for a phase definition which are needed to reconstruct an identical object using the newTransport function. More... | |
virtual double | bulkViscosity () |
The bulk viscosity in Pa-s. More... | |
virtual double | thermalConductivity () |
Returns the mixture thermal conductivity in W/m/K. More... | |
virtual double | electricalConductivity () |
The electrical conductivity (Siemens/m). More... | |
virtual void | getMobilities (double *const mobil_e) |
Get the Electrical mobilities (m^2/V/s). More... | |
Protected Member Functions | |
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... | |
Initialization | |
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 [27]. More... | |
void | getTransportData () |
Read the transport database. More... | |
void | makePolarCorrections (size_t i, size_t j, double &f_eps, double &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 \( \eta \) and conductivity \( \lambda \). More... | |
virtual void | fitDiffCoeffs (MMCollisionInt &integrals) |
Generate polynomial fits to the binary diffusion coefficients. More... | |
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. More... | |
Protected Attributes | |
vector< double > | m_molefracs |
Vector of species mole fractions. More... | |
double | m_viscmix = 0.0 |
Internal storage for the viscosity of the mixture (kg /m /s) More... | |
bool | m_visc_ok = false |
Update boolean for mixture rule for the mixture viscosity. More... | |
bool | m_viscwt_ok = false |
Update boolean for the weighting factors for the mixture viscosity. More... | |
bool | m_spvisc_ok = false |
Update boolean for the species viscosities. More... | |
bool | m_bindiff_ok = false |
Update boolean for the binary diffusivities at unit pressure. More... | |
int | m_mode = 0 |
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< double > | m_spwork |
work space length = m_kk More... | |
vector< double > | m_visc |
vector of species viscosities (kg /m /s). More... | |
vector< vector< double > > | m_visccoeffs |
Polynomial fits to the viscosity of each species. More... | |
vector< double > | 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< double > | m_sqvisc |
vector of square root of species viscosities sqrt(kg /m /s). More... | |
vector< double > | m_polytempvec |
Powers of the ln temperature, up to fourth order. More... | |
double | m_temp = -1.0 |
Current value of the temperature at which the properties in this object are calculated (Kelvin). More... | |
double | m_kbt = 0.0 |
Current value of Boltzmann constant times the temperature (Joules) More... | |
double | m_sqrt_t = 0.0 |
current value of temperature to 1/2 power More... | |
double | m_logt = 0.0 |
Current value of the log of the temperature. More... | |
double | m_t14 = 0.0 |
Current value of temperature to 1/4 power. More... | |
vector< vector< double > > | 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... | |
vector< vector< double > > | m_condcoeffs |
temperature fits of the heat conduction More... | |
vector< vector< int > > | m_poly |
Indices for the (i,j) interaction in collision integral fits. More... | |
vector< vector< double > > | m_omega22_poly |
Fit for omega22 collision integral. More... | |
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... | |
vector< vector< double > > | m_astar_poly |
Fit for astar collision integral. More... | |
vector< vector< double > > | m_bstar_poly |
Fit for bstar collision integral. More... | |
vector< vector< double > > | m_cstar_poly |
Fit for cstar collision integral. More... | |
vector< double > | m_zrot |
Rotational relaxation number for each species. More... | |
vector< double > | m_crot |
Dimensionless rotational heat capacity of each species. More... | |
vector< bool > | m_polar |
Vector of booleans indicating whether a species is a polar molecule. More... | |
vector< double > | m_alpha |
Polarizability of each species in the phase. More... | |
vector< double > | m_eps |
Lennard-Jones well-depth of the species in the current phase. More... | |
vector< double > | 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< double > | m_w_ac |
Pitzer acentric factor. More... | |
vector< double > | m_disp |
Dispersion coefficient. More... | |
vector< double > | m_quad_polar |
Quadrupole polarizability. More... | |
int | m_log_level = 0 |
Level of verbose printing during initialization. More... | |
Protected Attributes inherited from Transport | |
ThermoPhase * | m_thermo |
pointer to the object representing the phase More... | |
size_t | m_nsp = 0 |
Number of species. More... | |
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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
\[ \Phi_{k,j} = \frac{\left[1 + \sqrt{\left(\frac{\mu_k}{\mu_j}\sqrt{\frac{M_j}{M_k}}\right)}\right]^2} {\sqrt{8}\sqrt{1 + M_k/M_j}} \]
Reimplemented from Transport.
Reimplemented in IonGasTransport, and HighPressureGasTransport.
Definition at line 60 of file GasTransport.cpp.
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Get the pure-species viscosities.
Reimplemented from Transport.
Definition at line 51 of file GasTransport.h.
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Returns the matrix of binary diffusion coefficients.
d[ld*j + i] = rp * m_bdiff(i,j);
ld | offset of rows in the storage |
d | output vector of diffusion coefficients. Units of m**2 / s |
Reimplemented from Transport.
Reimplemented in HighPressureGasTransport.
Definition at line 149 of file GasTransport.cpp.
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Returns the Mixture-averaged diffusion coefficients [m^2/s].
Returns the mixture averaged 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. Note, for the single species case or the pure fluid case the routine returns the self-diffusion coefficient. This is needed to avoid a Nan result in the formula below.
This is Eqn. 12.180 from "Chemically Reacting Flow"
\[ D_{km}' = \frac{\left( \bar{M} - X_k M_k \right)}{ \bar{\qquad M \qquad } } {\left( \sum_{j \ne k} \frac{X_j}{D_{kj}} \right) }^{-1} \]
[out] | d | Vector of mixture diffusion coefficients, \( D_{km}' \) , for each species (m^2/s). length m_nsp |
Reimplemented from Transport.
Reimplemented in UnityLewisTransport, and IonGasTransport.
Definition at line 167 of file GasTransport.cpp.
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Returns the mixture-averaged diffusion coefficients [m^2/s].
These are the coefficients for calculating the molar diffusive fluxes from the species mole fraction gradients, computed according to Eq. 12.176 in "Chemically Reacting Flow":
\[ D_{km}^* = \frac{1-X_k}{\sum_{j \ne k}^K X_j/\mathcal{D}_{kj}} \]
[out] | d | vector of mixture-averaged diffusion coefficients for each species, length m_nsp. |
Reimplemented from Transport.
Reimplemented in UnityLewisTransport.
Definition at line 198 of file GasTransport.cpp.
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Returns the mixture-averaged diffusion coefficients [m^2/s].
These are the coefficients for calculating the diffusive mass fluxes from the species mass fraction gradients, computed according to Eq. 12.178 in "Chemically Reacting Flow":
\[ \frac{1}{D_{km}} = \sum_{j \ne k}^K \frac{X_j}{\mathcal{D}_{kj}} + \frac{X_k}{1-Y_k} \sum_{j \ne k}^K \frac{Y_j}{\mathcal{D}_{kj}} \]
[out] | d | vector of mixture-averaged diffusion coefficients for each species, length m_nsp. |
Reimplemented from Transport.
Reimplemented in UnityLewisTransport.
Definition at line 228 of file GasTransport.cpp.
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Return the polynomial fits to the viscosity of species i.
Reimplemented from Transport.
Definition at line 807 of file GasTransport.cpp.
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Return the temperature fits of the heat conductivity of species i.
Reimplemented from Transport.
Definition at line 814 of file GasTransport.cpp.
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Return the polynomial fits to the binary diffusivity of species pair (i, j)
Reimplemented from Transport.
Definition at line 821 of file GasTransport.cpp.
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Return the polynomial fits to the collision integral of species pair (i, j)
Reimplemented from Transport.
Definition at line 836 of file GasTransport.cpp.
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Modify the polynomial fits to the viscosity of species i.
Reimplemented from Transport.
Definition at line 848 of file GasTransport.cpp.
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Modify the temperature fits of the heat conductivity of species i.
Reimplemented from Transport.
Definition at line 861 of file GasTransport.cpp.
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Modify the polynomial fits to the binary diffusivity of species pair (i, j)
Reimplemented from Transport.
Definition at line 874 of file GasTransport.cpp.
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Modify the polynomial fits to the collision integral of species pair (i, j)
Reimplemented from Transport.
Definition at line 895 of file GasTransport.cpp.
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Initialize a transport manager.
This routine sets up a transport manager. It calculates the collision integrals and populates species-dependent data structures.
thermo | Pointer to the ThermoPhase object |
mode | Chemkin compatible mode or not. This alters the specification of the collision integrals. defaults to no. |
log_level | Defaults to zero, no logging |
Reimplemented from Transport.
Reimplemented in MultiTransport, MixTransport, and IonGasTransport.
Definition at line 261 of file GasTransport.cpp.
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Boolean indicating the form of the transport properties polynomial fits.
Returns true if the Chemkin form is used.
Reimplemented from Transport.
Definition at line 153 of file GasTransport.h.
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Update the temperature-dependent viscosity terms.
Updates the array of pure species viscosities, and the weighting functions in the viscosity mixture rule. The flag m_visc_ok is set to true.
The formula for the weighting function is from Poling et al. [33], Eq. (9-5.14):
\[ \phi_{ij} = \frac{ \left[ 1 + \left( \mu_i / \mu_j \right)^{1/2} \left( M_j / M_i \right)^{1/4} \right]^2 } {\left[ 8 \left( 1 + M_i / M_j \right) \right]^{1/2}} \]
Definition at line 84 of file GasTransport.cpp.
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Update the pure-species viscosities.
These are evaluated from the polynomial fits of the temperature and are assumed to be independent of pressure.
Definition at line 105 of file GasTransport.cpp.
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Update the binary diffusion coefficients.
These are evaluated from the polynomial fits of the temperature at the unit pressure of 1 Pa.
Definition at line 123 of file GasTransport.cpp.
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Setup parameters for a new kinetic-theory-based transport manager for low-density gases.
Definition at line 293 of file GasTransport.cpp.
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Setup range for polynomial fits to collision integrals of Monchick & Mason [27].
Definition at line 354 of file GasTransport.cpp.
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Read the transport database.
Read transport property data from a file for a list of species. Given the name of a file containing transport property parameters and a list of species names.
Definition at line 384 of file GasTransport.cpp.
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Corrections for polar-nonpolar binary diffusion coefficients.
Calculate corrections to the well depth parameter and the diameter for use in computing the binary diffusion coefficient of polar-nonpolar pairs. For more information about this correction, see Dixon-Lewis [6].
i | Species one - this is a bimolecular correction routine |
j | species two - this is a bimolecular correction routine |
f_eps | Multiplicative correction factor to be applied to epsilon(i,j) |
f_sigma | Multiplicative correction factor to be applied to diam(i,j) |
Definition at line 421 of file GasTransport.cpp.
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Generate polynomial fits to collision integrals.
integrals | interpolator for the collision integrals |
Definition at line 446 of file GasTransport.cpp.
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Generate polynomial fits to the viscosity \( \eta \) and conductivity \( \lambda \).
If CK_mode, then the fits are of the form
\[ \ln \eta(i) = \sum_{n=0}^3 a_n(i) \, (\ln T)^n \]
and
\[ \ln \lambda(i) = \sum_{n=0}^3 b_n(i) \, (\ln T)^n \]
Otherwise the fits are of the form
\[ \left(\eta(i)\right)^{1/2} = T^{1/4} \sum_{n=0}^4 a_n(i) \, (\ln T)^n \]
and
\[ \lambda(i) = T^{1/2} \sum_{n=0}^4 b_n(i) \, (\ln T)^n \]
integrals | interpolator for the collision integrals |
Definition at line 497 of file GasTransport.cpp.
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Generate polynomial fits to the binary diffusion coefficients.
If CK_mode, then the fits are of the form
\[ \ln D(i,j) = \sum_{n=0}^3 c_n(i,j) \, (\ln T)^n \]
Otherwise the fits are of the form
\[ D(i,j) = T^{3/2} \sum_{n=0}^4 c_n(i,j) \, (\ln T)^n \]
integrals | interpolator for the collision integrals |
Reimplemented in IonGasTransport.
Definition at line 676 of file GasTransport.cpp.
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Second-order correction to the binary diffusion coefficients.
Calculate second-order corrections to binary diffusion coefficient pair (dkj, djk). At first order, the binary diffusion coefficients are independent of composition, and d(k,j) = d(j,k). But at second order, there is a weak dependence on composition, with the result that d(k,j) != d(j,k). This method computes the multiplier by which the first-order binary diffusion coefficient should be multiplied to produce the value correct to second order. The expressions here are taken from Marerro and Mason [24].
t | Temperature (K) |
integrals | interpolator for the collision integrals |
k | index of first species |
j | index of second species |
xk | Mole fraction of species k |
xj | Mole fraction of species j |
fkj | multiplier for d(k,j) |
fjk | multiplier for d(j,k) |
Definition at line 755 of file GasTransport.cpp.
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Vector of species mole fractions.
These are processed so that all mole fractions are >= Tiny. Length = m_kk.
Definition at line 297 of file GasTransport.h.
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Internal storage for the viscosity of the mixture (kg /m /s)
Definition at line 300 of file GasTransport.h.
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Update boolean for mixture rule for the mixture viscosity.
Definition at line 303 of file GasTransport.h.
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Update boolean for the weighting factors for the mixture viscosity.
Definition at line 306 of file GasTransport.h.
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Update boolean for the species viscosities.
Definition at line 309 of file GasTransport.h.
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Update boolean for the binary diffusivities at unit pressure.
Definition at line 312 of file GasTransport.h.
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Type of the polynomial fits to temperature.
CK_Mode
means Chemkin mode. Any other value means to use Cantera's preferred fitting functions.
Definition at line 316 of file GasTransport.h.
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m_phi is a Viscosity Weighting Function. size = m_nsp * n_nsp
Definition at line 319 of file GasTransport.h.
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work space length = m_kk
Definition at line 322 of file GasTransport.h.
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vector of species viscosities (kg /m /s).
These are used in Wilke's rule to calculate the viscosity of the solution. length = m_kk.
Definition at line 326 of file GasTransport.h.
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Polynomial fits to the viscosity of each species.
m_visccoeffs[k] is the vector of polynomial coefficients for species k that fits the viscosity as a function of temperature.
Definition at line 331 of file GasTransport.h.
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Local copy of the species molecular weights.
Definition at line 334 of file GasTransport.h.
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Holds square roots of molecular weight ratios.
Definition at line 343 of file GasTransport.h.
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Holds square roots of molecular weight ratios.
m_wratjk1(j,k) = sqrt(1.0 + mw[k]/mw[j]) j < k
Definition at line 349 of file GasTransport.h.
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vector of square root of species viscosities sqrt(kg /m /s).
These are used in Wilke's rule to calculate the viscosity of the solution. length = m_kk.
Definition at line 354 of file GasTransport.h.
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Powers of the ln temperature, up to fourth order.
Definition at line 357 of file GasTransport.h.
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Current value of the temperature at which the properties in this object are calculated (Kelvin).
Definition at line 361 of file GasTransport.h.
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Current value of Boltzmann constant times the temperature (Joules)
Definition at line 364 of file GasTransport.h.
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current value of temperature to 1/2 power
Definition at line 367 of file GasTransport.h.
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Current value of the log of the temperature.
Definition at line 370 of file GasTransport.h.
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Current value of temperature to 1/4 power.
Definition at line 373 of file GasTransport.h.
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Polynomial fits to the binary diffusivity of each species.
m_diffcoeff[ic] is vector of polynomial coefficients for species i species j that fits the binary diffusion coefficient. The relationship between i j and ic is determined from the following algorithm:
int ic = 0; for (i = 0; i < m_nsp; i++) { for (j = i; j < m_nsp; j++) { ic++; } }
Definition at line 388 of file GasTransport.h.
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Matrix of binary diffusion coefficients at the reference pressure and the current temperature Size is nsp x nsp.
Definition at line 392 of file GasTransport.h.
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temperature fits of the heat conduction
Dimensions are number of species (nsp) polynomial order of the collision integral fit (degree+1).
Definition at line 399 of file GasTransport.h.
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Indices for the (i,j) interaction in collision integral fits.
m_poly[i][j] contains the index for (i,j) interactions in m_omega22_poly, m_astar_poly, m_bstar_poly, and m_cstar_poly.
Definition at line 406 of file GasTransport.h.
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Fit for omega22 collision integral.
m_omega22_poly[m_poly[i][j]] is the vector of polynomial coefficients (length degree+1) for the collision integral fit for the species pair (i,j).
Definition at line 414 of file GasTransport.h.
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Flag to indicate for which (i,j) interaction pairs the actual temperature is used instead of the reduced temperature.
Definition at line 418 of file GasTransport.h.
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Fit for astar collision integral.
m_astar_poly[m_poly[i][j]] is the vector of polynomial coefficients (length degree+1) for the collision integral fit for the species pair (i,j).
Definition at line 426 of file GasTransport.h.
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Fit for bstar collision integral.
m_bstar_poly[m_poly[i][j]] is the vector of polynomial coefficients (length degree+1) for the collision integral fit for the species pair (i,j).
Definition at line 434 of file GasTransport.h.
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Fit for cstar collision integral.
m_bstar_poly[m_poly[i][j]] is the vector of polynomial coefficients (length degree+1) for the collision integral fit for the species pair (i,j).
Definition at line 442 of file GasTransport.h.
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Rotational relaxation number for each species.
length is the number of species in the phase. units are dimensionless
Definition at line 448 of file GasTransport.h.
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Dimensionless rotational heat capacity of each species.
These values are 0, 1 and 1.5 for single-molecule, linear, and nonlinear species respectively length is the number of species in the phase. Dimensionless (Cr / R)
Definition at line 456 of file GasTransport.h.
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Vector of booleans indicating whether a species is a polar molecule.
Length is nsp
Definition at line 462 of file GasTransport.h.
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Polarizability of each species in the phase.
Length = nsp. Units = m^3
Definition at line 468 of file GasTransport.h.
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Lennard-Jones well-depth of the species in the current phase.
length is the number of species in the phase. Units are Joules (Note this is not Joules/kmol) (note, no kmol -> this is a per molecule amount)
Definition at line 475 of file GasTransport.h.
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Lennard-Jones diameter of the species in the current phase.
length is the number of species in the phase. units are in meters.
Definition at line 481 of file GasTransport.h.
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This is the reduced mass of the interaction between species i and j.
reducedMass(i,j) = mw[i] * mw[j] / (Avogadro * (mw[i] + mw[j]));
Units are kg (note, no kmol -> this is a per molecule amount)
Length nsp * nsp. This is a symmetric matrix
Definition at line 491 of file GasTransport.h.
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hard-sphere diameter for (i,j) collision
diam(i,j) = 0.5*(sigma[i] + sigma[j]); Units are m (note, no kmol -> this is a per molecule amount)
Length nsp * nsp. This is a symmetric matrix.
Definition at line 500 of file GasTransport.h.
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The effective well depth for (i,j) collisions.
epsilon(i,j) = sqrt(eps[i]*eps[j]); Units are Joules (note, no kmol -> this is a per molecule amount)
Length nsp * nsp. This is a symmetric matrix.
Definition at line 509 of file GasTransport.h.
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The effective dipole moment for (i,j) collisions.
Given dipoleMoment
in Debye (a Debye is 3.335e-30 C-m):
dipole(i,i) = 1.e-21 / lightSpeed * dipoleMoment; dipole(i,j) = sqrt(dipole(i,i) * dipole(j,j)); (note, no kmol -> this is a per molecule amount)
Length nsp * nsp. This is a symmetric matrix.
Definition at line 521 of file GasTransport.h.
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Reduced dipole moment of the interaction between two species.
This is the reduced dipole moment of the interaction between two species 0.5 * dipole(i,j)^2 / (4 * Pi * epsilon_0 * epsilon(i,j) * d^3);
Length nsp * nsp .This is a symmetric matrix
Definition at line 530 of file GasTransport.h.
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Pitzer acentric factor.
Length is the number of species in the phase. Dimensionless.
Definition at line 536 of file GasTransport.h.
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Dispersion coefficient.
Definition at line 539 of file GasTransport.h.
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Quadrupole polarizability.
Definition at line 542 of file GasTransport.h.
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Level of verbose printing during initialization.
Definition at line 545 of file GasTransport.h.