A new fragment contribution‐corresponding states method for physicochemical properties prediction of ionic liquids

Ying HuangBeijing Key Laboratory of Ionic Liquids Clean Process, State Key Laboratory of Multiphase Complex Systems,Key Laboratory of Green Process and Engineering, Institute of Process Engineering, Chinese Academy of Sciences,Beijing 100190, P.R. ChinaCollege of Chemistry and Chemical Engineering, University of Chinese Academy of Sciences,Beijing 100049, P.R. ChinaHaifeng Dong, Xiangping Zhang, Chunshan Li, and Suojiang ZhangBeijing Key Laboratory of Ionic Liquids Clean Process, State Key Laboratory of Multiphase Complex Systems,Key Laboratory of Green Process and Engineering, Institute of Process Engineering, Chinese Academy of Sciences,Beijing 100190, P.R. ChinaDOI 10.1002/aic.13910Published online in Wiley Online Library (wileyonlinelibrary.com).A new fragment contribution-corresponding states (FC—CS) method based on the group contribution method and thecorresponding states principle is developed to predict critical properties of ionic liquids (ILs). There are 46 fragmentsspecially classified for ILs considering the ionic features of ILs, and the corresponding fragment increments aredetermined using the experimental density data. The accuracy of the developed method is verified indirectly viapredicting density and surface tension of ILs. The results show that the FC—CS method is reasonable with an averageabsolute relative deviation less than 4%. With the calculated critical properties, corresponding states heat capacity(CSHC) and corresponding states thermal conductivity (CSTC) correlations are proposed to predict heat capacity andthermal conductivity of ILs, respectively. The predicted results agreed well with the experimental data. The proposedFC—CS method and the two corresponding states correlationsare important for design, simulation, and analysis of newionic liquid processes.