UNIFAC PSRK

PSRK-UNIFAC Module.

class UNIFACPSRK(molecules: List[dict])[source]

Bases: GeModel

PSRK-UNIFAC model.

Please refer to the yaeos user documentation for an in-depth look at the model’s information: https://ipqa-research.github.io/yaeos/page/index.html

Parameters:: molecules (list of dict) – List of dicts with the groups and their amounts for each molecule.

Example

from yaeos import UNIFACPSRK

# Groups for water and ethanol
water = {16: 1}
ethanol = {1: 1, 2: 1, 14: 1}

groups = [water, ethanol]

model = UNIFACPSRK(groups)

model.ln_gamma([0.5, 0.5], 298.15)

size() → int[source]

Get the number of components.

Returns:: Number of components
Return type:: int