feos.saftvrqmie.SaftVRQMieParameters¶
- class feos.saftvrqmie.SaftVRQMieParameters¶
Methods
__init__
()diameter
(temperature)Calculate temperature dependent diameter.
epsilon_k_eff
(temperature)Calculate effective epsilon_k.
Creates parameters from json files.
from_model_records
(model_records)Creates parameters from model records with default values for the molar weight, identifiers, and binary interaction parameters.
Creates parameters from json files.
from_records
(pure_records[, binary_records, ...])Creates parameters from records.
lammps_tables
(temperature, n, r_min, r_max)Generate energy and force tables to be used with LAMMPS' pair_style table command.
new_binary
(pure_records[, binary_record])Creates parameters for a binary system from pure records and an optional binary interaction parameter or binary interaction parameter record.
new_pure
(pure_record)Creates parameters for a pure component from a pure record.
quantum_d
(temperature)Calculate FH pre-factor D.
sigma_eff
(temperature)Calculate effective sigma.
Attributes
binary_records
de_boer
Calculate de Boer parameter.
k_ij
l_ij
pure_records