Modeling imidazolium-based ionic liquids with ePC-SAFT. Part II. Application to H2S and synthesis-gas components

ePC-SAFT was used to model the gas solubility in ionic liquids (ILs). The gases under consideration were CO, H2, H2S and O2, and the imidazolium-based ILs studied were [Cnmim][Tf2N], [Cnmim][PF6] and [Cnmim][BF4] (n = 2, 4, 6 and 8). For the ePC-SAFT modeling, each IL was considered to be completely dissociated into a cation and an anion. Each ion was modeled as a non-spherical species exerting repulsive, dispersive and Coulomb forces. CO, H2 and O2 were modeled as non-spherical molecules exerting repulsive and dispersive forces, and H2S was modeled as a non-spherical, associating molecule. ePC-SAFT reasonably predicts the gas solubility in the considered gas/IL mixtures. In order to describe the experimental gas solubilities quantitatively in a broad temperature and pressure range, one ion-specific binary interaction parameter between the IL-anion and the gas was applied, which was allowed to depend linearly on temperature.