Ionic liquids for absorption and separation of gases: An extensive database and a systematic screening method. Issue 4 (8th February 2017)

• Record Type: Journal Article
• Authors: Zhao, Yongsheng; Gani, Rafiqul; Afzal, Raja Muhammad; Zhang, Xiangping; Zhang, Suojiang
• Is Part Of: AIChE journal. Volume 63:Issue 4(2017)
• Page Start: 1353
• Page End: 1367
• Publication Date: 2017-02-08
• Subjects: ionic liquids -- COSMO‐RS method -- database -- gases absorption and separation -- systematic screening method; Chemical engineering -- Periodicals; Génie chimique -- Périodiques; 660.28
• DOI: 10.1002/aic.15618
• Languages: English
• ISSNs: 0001-1541

Abstract

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 C2 H2 from C2 H4 ). 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