pytherm.lle module

pytherm.lle.calculate_solubility(activity_model: ActivityModel, comp_name, T: float, T_m: float, H_m: float, bounds=(1e-20, 0.99), ftol=1e-18, fabs=1e-10)

pytherm.lle.find_lle(phase1: dict[str, float], phase2, activity_model, solver=<function minimize>, T=298.0, min_ksi=1e-08, notifier=<function lle_notifier>)

pytherm.lle.get_k_molar(activity_model: ActivityModel, system1: dict[str, float], system2: dict[str, float], comp_name: str) → float

Calculate partition coefficient using molar fraction

Parameters:

• activity_model (ActivityModel) – model for activity calculation

• system1 (dict[str, float]) – component dictionary for phase 1

• phase2 (dict[str, float]) – component dictionary for phase 2

• comp_name (str) – target component name

Returns:

partition coefficient

Return type:

float

pytherm.lle.get_kp(activity_model: ActivityModel, system1: dict[str, float], system2: dict[str, float], molar_volumes: dict[str, float], comp_name: str) → float

Calculate partition coefficient

Parameters:

• activity_model (ActivityModel) – model for activity calculation

• system1 (dict[str, float]) – component dictionary for phase 1

• system2 (dict[str, float]) – component dictionary for phase 2

• molar_volumes (dict[str, float]) – molar volume dictionary

• comp_name (str) – target component name

Returns:

partition coefficient

Return type:

float

pytherm.lle.get_yinf(activity_model: ActivityModel, system: dict[str, float], comp_name: str) → float

Calculate activity coefficient at infinity dilution

Parameters:

• activity_model (ActivityModel) – model for activity calculation

• phase (dict[str, float]) – Input dictionary {“Substance name”: concentration}

• comp_name (str) – name of target component from ph

Returns:

activity coefficient at infinity dilution

Return type:

float

pytherm.lle.lle_notifier(f, ph1, ph2)