Activity Coefficient Models: Binary Mixtures

Activity Coefficient Models available in TDE are listed here.

Models can be selected for use through the Mixture Menu on the Main Screen.

Predictive Models (no fitted parameters)

• UNIFAC (Original)
• UNIFAC (NIST-KT)
• UNIFAC (NIST-Modified)
• NIST-COSMO-SAC

Fitted Models

• NRTL
• Redlich-Kister
• UNIQUAC
• Van Laar
• Wilson

A single common representation is used for the temperature dependence of the model parameters a_i :
a_i = A + B/T + C×ln(T) +D×T + E/T² (Equation Details)