“…Therefore, a reliable and efficient simulation-based solvent screening method is highly desirable. Until now, a number of theoretical models have been applied for modeling phase behaviors of IL-involved systems, e.g., the classical liquid activity coefficient models NRTL and UNIFAC (Alonso et al, 2007;Lei et al, 2008Lei et al, , 2014Rodríguez-Cabo et al, 2013;Tian et al, 2010) and models based on statistical associating fluid theory PC-SAFT (Paduszynśki and Domanśka, 2012). Nevertheless, these models present a limited predictive capability since they normally require experimentally fitted parameters.…”