Methods in the MieType class
KineticGas - 2.0.0
The MieType class, found in pykingas/MieType.py, inherrits from the py_KineticGas class, and is the interface to the
Mie-Type Model. This class implements utility methods to access mixing parameters etc.
Table of contents
Constructor
Methods to initialise Mie-Type model.
Table of contents
__init__(self, comps, potential, mole_weights=None, sigma=None, eps_div_k=None, la=None, lr=None, lij=0, kij=0, N=4, is_idealgas=False, parameter_ref='default')
If optional parameters are supplied, these are used instead of the parameters found in the database. To supply specific parameters for only some components, give None for the components that should use the database
value
Args:
comps (str) :
Comma-separated list of components
mole_weights (optional, 1D array) :
Molar masses [g/mol]
sigma (optional, 1D array) :
hard-sphere diameters [m]
eps_div_k (optional, 1D array) :
epsilon parameter / Boltzmann constant [-]
la, lr (optional, 1D array) :
attractive and repulsive exponent of the pure components [-]
lij (optional, float) :
Mixing parameter for sigma (lij > 0 => smaller sigma_12, lij < 0 => larger sigma_12)
kij (optional, float) :
Mixing parameter for epsilon (kij > 0 => favours mixing, kij < 0 => favours separation)
Utility methods
Set- and get methods for interaction parameters, mixing parameters …
Table of contents
get_epsilon_matrix(self, eps_div_k, kij)
Compute matrix of well-depths, given well depth of each component Warning: Use of mixing parameters is not thouroughly tested.
Args:
eps_div_k (1d array) :
Well depth parameter of each component
kij (2d array) :
Not in use, internal parameter self.kij is used for mixing.
Returns:
2d array :
Well depth for each interaction pair.
get_lambda_matrix(self, lambdas, lij)
Compute pair-interaction $\lambda_r$ parameters, apply mixing parameter.
Args:
lambdas (1d array) :
Repulsive exponents for each pure-component interaction potential
lij (1d array) :
Mixing parameters
Returns:
2d array :
Repulsive exponent for each pair-interaction.
get_sigma_matrix(self, sigma)
Compute interaction parameter $sigma$ for each particle pair, applying mixing parameters given by self.lij.
Warning: Use of mixing parameters is not thouroughly tested.
Args:
sigma (1D array) :
sigma-parameters [m]
Retunrs:
2d array :
N x N matrix of sigma parameters, where sigma_ij = 0.5 * (sigma_i + sigma_j), if self.lij = 0.
Warning:
Use of mixing parameters is not thouroughly tested.
Deprecated methods
Deprecated methods are not maintained, and may be removed in the future.