阳离子聚合
金属有机骨架
选择性
物理吸附
吸附
化学
选择性吸附
密度泛函理论
格子(音乐)
蓝图
拓扑(电路)
化学工程
纳米技术
计算化学
物理化学
有机化学
材料科学
催化作用
物理
声学
工程类
组合数学
机械工程
数学
作者
Subhajit Dutta,Soumya Mukherjee,Omid T. Qazvini,Arvind Gupta,Shivani Sharma,Debanjan Mahato,Ravichandar Babarao,Sujit K. Ghosh
标识
DOI:10.1002/anie.202114132
摘要
Energy-efficient selective physisorption driven C2 H2 separation from industrial C2-C1 impurities such as C2 H4 , CO2 and CH4 is of great importance in the purification of downstream commodity chemicals. We address this challenge employing a series of isoreticular cationic metal-organic frameworks, namely iMOF-nC (n=5, 6, 7). All three square lattice topology MOFs registered higher C2 H2 uptakes versus the competing C2-C1 gases (C2 H4 , CO2 and CH4 ). Dynamic column breakthrough experiments on the best-performing iMOF-6C revealed the first three-in-one C2 H2 adsorption selectivity guided separation of C2 H2 from 1:1 C2 H2 /CO2 , C2 H2 /C2 H4 and C2 H2 /CH4 mixtures. Density functional theory calculations critically examined the C2 H2 selective interactions in iMOF-6C. Thanks to the abundance of square lattice topology MOFs, this study introduces a crystal engineering blueprint for designing C2 H2 -selective layered metal-organic physisorbents, previously unreported in cationic frameworks.
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