How to Detect Possible Pitfalls in ePC-SAFT Modeling. 2. Extension to Binary Mixtures of 96 Ionic Liquids with CO2, H2S, CO, O2, CH4, N2, and H2

The occurrence of numerical pitfalls has been pointed out for the models of equation of state, including the statistical associating fluid theory (SAFT)-based. Following our previous work on pure ILs when modeling with ePC-SAFT, this work extended the research to the IL–gas mixtures, in which the associating term was derived for predicting the critical point with PC-SAFT, and a scheme for detecting a pitfall in IL–gas mixtures was developed. Then, the scheme was applied to detect the pitfall occurrence in IL–gas (gas = CO2, H2S, CO, O2, CH4, N2, and H2) systems, which are commonly encountered in developing IL-based CO2 separation technologies. It shows that a pitfall occurs only in [C8mpy][BF4]–gas (CO2, H2S, CO, O2, CH4, N2, and H2) among all ILs considered in the temperature and pressure range of interest.