Ionic Liquids for Absorption and Separation of Gases: An Extensive Database and a Systematic Screening Method

Yongsheng Zhao, Rafiqul Gani, Raja Muhammad Afzal, Xiangping Zhang, Suojiang Zhang

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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. 
Original languageEnglish
JournalA I Ch E Journal
Volume63
Issue number4
Pages (from-to)1353-1367
ISSN0001-1541
DOIs
Publication statusPublished - 2017

Keywords

  • Ionic liquids
  • COSMO-RS method
  • Database
  • Database, gases absorption and separation
  • Systematic screening method

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