Reversed C2H6/C2H4 separation in interpenetrated diamondoid coordination networks with enhanced host-guest interaction
Reversed C2H6/C2H4 separation in interpenetrated diamondoid coordination networks with enhanced host-guest interaction
复制标题
互穿类金刚石配位网络中 C2H6/C2H4 的反向分离，增强主客体相互作用
DOI：
10.1016/j.seppur.2021.119385
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发表时间：
2021
影响因子：
8.6
通讯作者：
Yang Qing-Yuan
中科院分区：
文献类型：
--
作者：
Wang Shao-Min;Wang Fei;Dong Yong-Li;Shivanna Mohana;Dong Qiubing;Mu Xuan-Tong;Duan Jingui;Yang Qingyuan;Zaworotko Michael J.;Yang Qing-Yuan
乙烷（C2 H6）和乙烯（C2 H4）的分离是化工领域最具挑战性和重要的任务之一。本文报道了两种互穿类金刚石（diamondoid，dia）配位网络Dia-4-M[M（pba）2]（pba = 4-（4-吡啶基）苯甲酸酯; M = Ni或Co），它们可以直接从乙烷-乙烯混合物中捕获乙烷，并实现C2 H6/C2 H4的反向分离。这两种材料不仅表现出超高的C2 H6吸收（100 cm 3g − 1的Dia-4-Ni; 103 cm 3g − 1的Dia-4-Co），而且还显示出良好的C2 H6/C2 H4选择性（1.76的Dia-4-Ni; 2.04的Dia-4-Co）。动态穿透实验证实了Dia-4-M的分离性能，在常温下，Dia-4-M可以从C2 H6/C2 H4混合物（v（C2 H6）/v（C2 H4）= 1：9和1：15）中萃取低浓度的C2 H6，并得到高纯度（99.9%）的C2 H4。通过巨正则蒙特卡罗（GCMC）模拟和密度泛函理论（DFT）计算阐明了C2 H6/C2 H4选择性分离的机理。总的来说，本研究表明，Dia-4-M具有显着的潜力，作为有效的C2 H6-选择性吸附剂，用于乙烯的纯化在实践中。
The separation of ethane (C2H6) from ethylene (C2H4) is one of the most challenging and important tasks in chemical industry. Herein we report two interpenetrated diamondoid (dia) coordination networks,Dia-4-M[M(pba)2] (pba = 4-(4-pyridyl)benzoate); M = Ni or Co), that can directly capture ethane from ethane-ethylene mixtures with reverse C2H6/C2H4separation. Both materials not only exhibit ultra-high C2H6uptake (100 cm3g−1forDia-4-Ni; 103 cm3g−1forDia-4-Co) but also display good C2H6/C2H4selectivity (1.76 forDia-4-Ni; 2.04 forDia-4-Co). Such C2H6/C2H4separation performance was confirmed by dynamic breakthrough experiments.Dia-4-Mcould extract low concentrated of C2H6from C2H6/C2H4mixture (v(C2H6)/v(C2H4) = 1:9 and 1:15) and produce high purity (99.9%) of C2H4under ambient conditions. The mechanism for selective C2H6/C2H4separation was clarified through Grand Canonical Monte Carlo (GCMC) simulations and Density functional theory (DFT) calculations. Overall, this research demonstrates thatDia-4-Mhas a significant potential as effective C2H6-selective adsorbents for the purification of ethylene in practice.