Ionic liquids (ILs) stand out as a possible green substitute for the conventional solvents due to their characteristics such as low vapor pressure, versatility, and chemical stability. However, experimental studies are still expensive and molecular simulations demand high computational power. On the other hand, group contribution methods (GCMs) emerge as a viable tool for properties' prediction. In this study, twenty -five ILs were selected, the properties were evaluated and compared using the modified Joback (MJ) and Marrero-Gani (MG) GCMs. The range of application was analyzed, and the accuracy of the calculated specific mass was evaluated using literature. The results show that the MJ method is superior, once it could describe all the selected ILs and with a mean specific mass deviation 10.31 times smaller than MG.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.
hi@scite.ai
10624 S. Eastern Ave., Ste. A-614
Henderson, NV 89052, USA
Copyright © 2024 scite LLC. All rights reserved.
Made with 💙 for researchers
Part of the Research Solutions Family.