PC-SAFT

PC-SAFT Equation of State.

class PCSAFT(m: ndarray, sigma: ndarray, epsilon_k: ndarray, kij=None)[source]

Bases: ArModel

PC-SAFT Equation of State.

This class implements the residual contribution of the PC-SAFT equation of state for multi-component systems.

Parameters:

  • m (list, float) – Segment number for each component.

  • sigma (list, float) – Segment diameter for each component (in Angstroms).

  • epsilon_k (list, float) – Segment energy parameter for each component (in Kelvin).

  • kij (list, list, float, optional) – Binary interaction parameter matrix. Default is None, which sets all interaction parameters to zero.

Example

from yaeos import PCSAFT

m = [1.0582, 3.3004]
sigma = [3.6316, 3.8639]
epsilon_k = [145.5257, 224.0780]

model = PCSAFT(m, sigma, epsilon_k)

# Or use kij matrix for binary interaction parameters
kij = [[0.0, 0.03],
       [0.03, 0.0]]

model = PCSAFT(m, sigma, epsilon_k, kij=kij)
size() → int[source]

Return the number of components in the model.