Abstract
Accurate knowledge of gas solubility is necessary for the development of processes involving ionic liquids (ILs) and gases. In this work, a group contribution approach is used to predict the phase behavior of CO2+IL systems based on the statistical associating fluid theory (SAFT-γ) as proposed by Lymperiadis et al. The IL molecule is divided into groups of CH3, CH2, cation head, and the anion. The SAFT-γ parameters of CO2+imidazolium-based ionic liquids with either [PF6], [BF4] or [Tf2N] anions are optimized to experimental data. The ability of the model to describe the phase behavior of these systems is demonstrated within a temperature range of 313.15–353.15K and pressures up to 100bars. Moreover, by using the optimized group parameters, the performance of the model is examined by predicting equilibrium data of some CO2+IL systems not included in the optimization database. The results show good agreement with experimental data.
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