“…In addition, COSMO-RS, a quantum chemical-based thermodynamic prediction model, was used to investigate the molecular interactions of water and ionic liquids. The advantage of COSMO-RS [48,49], compared to the widely used Non-Random Two Liquid (NRTL) thermodynamic model used [50,51] is that not only it can predict the activity coefficients of water in ionic liquids, but it also can provide the sigma profile and potential of pure compounds, and predictions of thermodynamic properties such as excess enthalpy and entropies. The -profile can be used to understand the behavior of the molecule in terms of their polarity, while the -potential describes the likeliness of the molecules studied to interact with other molecules that have a charge density [px( )] and polarity [48,49].…”