Ionic liquids for absorption and separation of gases: An extensive database and a systematic screening method

Abstract

Ionic liquids (ILs) have attracted considerable attention in both the academic and industrial communities for absorbing and separating gases. However, a data‐rich and well‐structured systematic database has not yet been established, and screening for highly efficient ILs meeting various requirements remains a challenging task. In this study, an extensive database of estimated Henry's law constants of twelve gases in more than ten thousand ILs at 313.15 K is established using the COSMO‐RS method. Based on the database, a new systematic and efficient screening method for IL selection for the absorption and separation of gases subject to important target properties is proposed. Application of the database and the screening method is highlighted through case studies involving two important gases separation problems (CO2 from CH4 and C2H2 from C2H4). The results demonstrate the effectiveness of using the screening method together with the database to explore and screen novel ILs meeting specific requirements for the absorption and separation of gases. © 2017 American Institute of Chemical Engineers AIChE J, 63: 1353–1367, 2017

MIL‐53(Al) as a Versatile Platform for Ionic‐Liquid/MOF Composites to Enhance CO2 Selectivity over CH4 and N2

“…This decrease was expected, because the pore volumes of the IL/MIL‐53(Al) composites were lower than that of pristine MIL‐53(Al) (Table ). The CO 2 , CH 4 , and N 2 solubilities of the bulk ILs were estimated by using COSMO‐RS calculations, which are widely used to predict and screen the solubility of gases in ILs . According to these results (see the Supporting Information, Figure S8), the order of the gas solubilities in the bulk ILs was quite different to that of the gas uptakes by the corresponding IL/MOF composites.…”

Alkaline Water Electrolysis Powered by Renewable Energy: A Review

“…Furthermore, ILs can be used over a wide electrochemical window [59]. The absorption and separation of gases is an additional area of application [60,61]. However, the toxicity of ILs is a current field of research, and the viscosity is comparably high, which should be taken into account before any large-scale implementation [6,58,59].…”

Process design of carbon dioxide and ethane separation using ionic liquid by extractive distillation

“…It can be applied to both gas and liquid phases and is suitable for non‐polar or slightly polar mixtures at high temperatures and pressures. The UNIFAC model and COSMO‐RS model are the models that are most widely used to describe phase equilibria in systems containing ionic liquids, and they are often applied to systems that lack phase equilibrium data. Lei et al .…”

“…2 phases and is suitable for non-polar or slightly polar mixtures at high temperatures and pressures. The UNIFAC model 32,33 and COSMO-RS model 34 are the models that are most widely used to describe phase equilibria in systems containing ionic liquids, and they are often applied to systems that lack phase equilibrium data. Lei et al 35,36 predicted the solubility of CO 2 and CO(H 2 ) in ILs using the UNIFAC model, and they obtained the interaction parameters for CO 2 , CO (H 2 ) and IL groups by correlating the model data with experimental data.…”