具有双功能的微孔金属有机框架用于从轻质烃混合物中高效分离乙炔
Microporous Metal-Organic Framework with Dual Functionalities for Efficient Separation of Acetylene from Light Hydrocarbon Mixtures.
作者信息
Li Hao, Li Libo, Lin Rui-Biao, Ramirez Giorgio, Zhou Wei, Krishna Rajamani, Zhang Zhangjing, Xiang Shengchang, Chen Banglin
机构信息
Fujian Provincial Key Laboratory of Polymer Materials, College of Materials Science and Engineering, Fujian Normal University, Fuzhou 350007, Fujian, People's Republic of China.
Department of Chemistry, University of Texas at San Antonio, One UTSA Circle, San Antonio, Texas 78249-0698, United States.
出版信息
ACS Sustain Chem Eng. 2019;7(5). doi: 10.1021/acssuschemeng.8b05480.
Separating acetylene from light hydrocarbon mixtures like ethylene is a very important process for downstream industrial applications. Herein, we report a new MOF [CuL(SiF)] (UTSA-220, L = (1,2)-1,2-bis(pyridin-4-ylmethylene)hydrazine) with dual functionalities featuring optimal pore size with strong binding sites for acetylene. UTSA-220 exhibits apparently higher uptake capacity for CH than those for other light hydrocarbons. The potential of this material for trace CH removal from CH has also been demonstrated by a dynamic breakthrough experiment performed with CH/CH (1/99 v/v) under simulated industrial conditions. According to the dispersion-corrected density functional theory (DFT-D) simulation, SiF and azine moieties serve as preferential binding sites for CH, indicating the feasibility of the dual functionalities incorporated in UTSA-220 for adsorbent-based CH separations.
从乙烯等轻质烃混合物中分离乙炔是下游工业应用中非常重要的过程。在此，我们报道了一种具有双重功能的新型金属有机框架材料[CuL(SiF)]（UTSA-220，L = (1,2)-1,2-双(吡啶-4-基亚甲基)肼），其具有最佳孔径以及对乙炔有强结合位点的特性。UTSA-220对CH的吸附容量明显高于对其他轻质烃的吸附容量。在模拟工业条件下用CH/CH（1/99 v/v）进行的动态突破实验也证明了该材料从CH中去除痕量CH的潜力。根据色散校正密度泛函理论（DFT-D）模拟，SiF和嗪部分作为CH的优先结合位点，这表明UTSA-220中纳入的双重功能对于基于吸附剂的CH分离是可行的。
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