Covalent organic framework shows high isobutene adsorption selectivity from C4 hydrocarbons: Mechanism of interpenetration isomerism and pedal motion
Covalent organic framework shows high isobutene adsorption selectivity from C4 hydrocarbons: Mechanism of interpenetration isomerism and pedal motion
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DOI：
10.1016/j.gee.2020.09.016
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发表时间：
2020-09
影响因子：
13.3
通讯作者：
Wei Chen;Mian Li;Wenli Peng;Ling Huang;Chao Zhao;Dinesh Acharya;Wentao Liu;Anmin Zheng
中科院分区：
文献类型：
--
作者：
Wei Chen;Mian Li;Wenli Peng;Ling Huang;Chao Zhao;Dinesh Acharya;Wentao Liu;Anmin Zheng
C4烃的吸附分离是石油化工过程中的关键步骤。利用多孔材料提高分离效率已引起人们的广泛关注。金刚石拓扑结构的共价有机框架，dia-COFs，通常表现出独特的结构特性，如互穿异构和踏板运动。因此，为了深入了解这种碳纤维的结构与性能之间的关系，本文提出了一系列碳纤维材料，并对碳四分离进行了理论研究。发现这些介-COF相对于其它C4烃（即，1，3-丁二烯、1-丁烯、2-顺丁烯、2-反丁烯、异丁烷和正丁烷）。此外，还建立了COF-300（dia-cN）的拓扑结构参数与实验合成可行性之间的关系，预测了未报道的COF-300（dia-c3）的实验合成可行性。我们的研究结果不仅为深入了解dia-COFs的拓扑结构特征对C4吸附分离性能的影响机理提供了理论依据，而且对新型高效多孔材料的设计和合成具有指导意义.
Adsorption and separation of C4hydrocarbons are crucial steps in petrochemical processes. Employment of porous materials for enhancing the separation efficiency have paid much attention. Covalent-organic frameworks of diamond-topology,dia-COFs, often exhibit unique structural properties such as interpenetration isomerism and pedal motion. Herein, in order to get a deep insight into the structure-performance correlation of suchdia-COFs, a series ofdia-COF materials have been proposed and theoretically investigated on the C4separation. It is found that thesedia-COFs display an excellent adsorption and separation property towards isobutene with respect to other C4hydrocarbons (i.e., 1,3-butadiene, 1-butene, 2-cis-butene, 2-trans-butene, isobutane and n-butane). What’s more, the correlation between the topology parameters and experimental synthesis feasibility has been established for COF-300 (dia-cN), and the unreported COF-300 (dia-c3) is predicted to be experimentally feasible synthesized. Our findings not only provide a deep insight into the mechanism of topology characteristics ofdia-COFs on C4adsorption and separation properties but also guide the design and synthesis of novel highly-effective porous materials.