A robust Th-azole framework for highly efficient purification of C2H4 from a C2H4/C2H2/C2H6 mixture
A robust Th-azole framework for highly efficient purification of C2H4 from a C2H4/C2H2/C2H6 mixture
复制标题
强大的 Th-氮唑框架，可从 C2H4/C2H2/C2H6 混合物中高效纯化 C2H4
DOI：
10.1038/s41467-020-16960-9
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发表时间：
2020-06-22
影响因子：
16.6
通讯作者：
Chen, Banglin
中科院分区：
文献类型：
--
作者：
Xu, Zhenzhen;Xiong, Xiaohong;Chen, Banglin
从具有高工作容量的C2 H4/C2 H2/C2 H6混合物中分离C2 H4仍然是一个具有挑战性的任务。本文中，我们特意设计了Th-金属-有机骨架（MOF），用于从二元C2 H6/C2 H4和三元C2 H4/C2 H2/C2 H6混合物中高效分离C2 H4。所合成的MOF唑-Th-1显示出UiO-66型结构，其具有构建在Th 6二级构建单元和基于四唑的接头上的fcu拓扑结构。这种引人注目的结构通过具有高化学稳定性的N，O-供体配体连接。在100 kPa和298 K下，Azole-Th-1不仅可以从C2 H6/C2 H4（1：9，v/v）二元混合物中分离C2 H4（纯度99.9%），而且可以从C2 H6/C2 H2/C2 H4（9：1：90，v/v/v）三元混合物中分离C2 H4（纯度99.9%），相应的工作容量分别可达1.13和1.34 mmol g−1。通过密度泛函理论计算，揭示了分离机理是由于乙烷和MOF骨架之间较强的货车范德华相互作用。
Separation of C2H4 from C2H4/C2H2/C2H6 mixture with high working capacity is still a challenging task. Herein, we deliberately design a Th-metal-organic framework (MOF) for highly efficient separation of C2H4 from a binary C2H6/C2H4 and ternary C2H4/C2H2/C2H6 mixture. The synthesized MOF Azole-Th-1 shows a UiO-66-type structure with fcu topology built on a Th6 secondary building unit and a tetrazole-based linker. Such noticeable structure, is connected by a N,O-donor ligand with high chemical stability. At 100 kPa and 298 K Azole-Th-1 performs excellent separation of C2H4 (purity 99.9%) from not only a binary C2H6/C2H4 (1:9, v/v) mixture but also a ternary mixture of C2H6/C2H2/C2H4 (9:1:90, v/v/v), and the corresponding working capacity can reach up to 1.13 and 1.34 mmol g−1, respectively. The separation mechanism, as unveiled by the density functional theory calculation, is due to a stronger van der Waals interaction between ethane and the MOF skeleton.