Comparison of CP-PC-SAFT and SAFT-VR-Mie in Predicting Phase Equilibria of Binary Systems Comprising Gases and 1-Alkyl-3-methylimidazolium Ionic Liquids

This study compares performances of the Critical Point-based revision of Perturbed-Chain SAFT (CP-PC-SAFT) and the SAFT of Variable Range and Mie Potential (SAFT-VR-Mie) in predicting the available data on VLE, LLVE, critical loci and saturated phase densities of systems comprising CO, O-2, CH4, H2S, SO2, propane, the refrigerants R22, R23, R114, R124, R125, R125, R134a, and R1234ze(E) and ionic liquids (ILs) with 1-alkyl-3-methylimidazolium ([C(n)mim](+)) cations and bis(trifluoromethanesulfonyl)imide ([NTf2](-)), tetrafluoroborate ([BF4](-)) and hexafluorophosphate ([PF6](-)) anions. Both models were implemented in the entirely predictive manner with k(12) = 0. The fundamental Global Phase Diagram considerations of the IL systems are discussed. It is demonstrated that despite a number of quantitative inaccuracies, both models are capable of reproducing the regularities characteristic for the considered systems, which makes them suitable for preliminary estimation of selectivity of the ILs in separating various gases.

Automated summary

This study compares the performances of CP-PC-SAFT and SAFT-VR-Mie in predicting systems with different components, showing that despite some quantitative inaccuracies, both models are capable of reproducing regularities of the considered systems.