Solvers Fitting module

Solvers.

Module that contains different solvers for specific porpouses.

binary_isofugacity_x1y1pt(x, p, t, model: ArModel)[source]

Isofugacity evaluation at a given P and T.

solve_pt(model: ArModel, pressure: float, temperature: float, kind: str) → tuple[float, float][source]

Solve a point at a given P and T.

This function solves a point at a given pressure and temperature. That is, solve the composition of two phases in equilibrium at T and P. The function handles liquid-vapor or liquid-liquid.

Parameters:

  • model (ArModel) – yaeos ArModel object.

  • pressure (float) – Pressure [bar].

  • temperature (float) – Temperature [K].

  • kind (str) – Kind of phase equilibrium calculation. Options are: - “liquid-liquid”: liquid-liquid equilibrium calculation. - “PT”: pressure-temperature calculation.

Returns:

x1, y1: Mole fractions of component 1 (light component) in both phases.

Return type:

tuple[float, float]

find_init_binary_ll(model: ArModel, pressure: float, temperature: float, kind: str) → tuple[float, float][source]

Find initial guess for a binary liquid-liquid system.

Parameters:

  • model (ArModel) – yaeos ArModel object.

  • pressure (float) – Pressure [bar].

  • temperature (float) – Temperature [K].

  • kind (str) – Kind of phase equilibrium calculation. Options are: - “liquid-liquid”: liquid-liquid equilibrium calculation. - “PT”: pressure-temperature calculation.

Returns:

x1, y1: Initial guess for mole fractions of component 1 (light component) in both phases.

Return type:

tuple[float, float]