UNIFACVLE

UNIFAC Module.

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

Bases: GeModel

UNIFAC VLE model.

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

Example

from yaeos import UNIFACVLE

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

groups = [water, ethanol]

model = UNIFAVLE(groups)

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