Ionic Liquids for Absorption and Separation of Gases: an Extensive Database and a Systematic Screening Method.
Ionic Liquids for Absorption and Separation of Gases: an Extensive Database and a Systematic Screening Method.
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用于气体吸收和分离的离子液体：广泛的数据库和系统的筛选方法。
DOI：
10.1002/aic.15618
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发表时间：
2017
期刊：
影响因子：
--
通讯作者：
Suojiang Zhang
中科院分区：
文献类型：
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作者：
Yongsheng Zhao;Rafiqul Gani;Raja Muhammad Afzal;Xiangping Zhang;Suojiang Zhang
离子液体作为一种新型的气体吸收和分离材料，已经引起了学术界和工业界的广泛关注。然而，尚未建立数据丰富且结构良好的系统数据库，筛选满足各种要求的高效离子液体仍然是一项具有挑战性的任务。在这项研究中，估计亨利定律常数的12种气体在超过一万IL在313.15 K的广泛的数据库建立使用COSMO‐RS方法。基于该数据库，提出了一种新的系统和有效的筛选方法，用于选择IL吸收和分离的气体受到重要的目标性质。应用数据库和筛选方法突出通过案例研究，涉及两个重要的气体分离问题（CO2从CH 4和C2 H2从C2 H4）。结果表明，使用筛选方法与数据库一起探索和筛选满足气体吸收和分离的特定要求的新型离子液体的有效性。© 2017美国化学工程师学会AIChE J，63：1353-1367，2017
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 (CO2from CH4and C2H2from 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 EngineersAIChE J, 63: 1353–1367, 2017