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Microporous Metal-Organic Framework with Dual Functionalities for Efficient Separation of Acetylene from Light Hydrocarbon Mixtures.

ABSTRACT: Separating acetylene from light hydrocarbon mixtures like ethylene is a very important process for downstream industrial applications. Herein, we report a new MOF [CuL2(SiF6)] (UTSA-220, L = (1E,2E)-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 C2H2 than those for other light hydrocarbons. The potential of this material for trace C2H2 removal from C2H4 has also been demonstrated by a dynamic breakthrough experiment performed with C2H2/C2H4 (1/99 v/v) under simulated industrial conditions. According to the dispersion-corrected density functional theory (DFT-D) simulation, SiF6 2- and azine moieties serve as preferential binding sites for C2H2, indicating the feasibility of the dual functionalities incorporated in UTSA-220 for adsorbent-based C2H2 separations.

SUBMITTER: Li H 

PROVIDER: S-EPMC7923745 | biostudies-literature | 2019

REPOSITORIES: biostudies-literature

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Microporous Metal-Organic Framework with Dual Functionalities for Efficient Separation of Acetylene from Light Hydrocarbon Mixtures.

Li Hao H   Li Libo L   Lin Rui-Biao RB   Ramirez Giorgio G   Zhou Wei W   Krishna Rajamani R   Zhang Zhangjing Z   Xiang Shengchang S   Chen Banglin B  

ACS sustainable chemistry & engineering 20190101 5

Separating acetylene from light hydrocarbon mixtures like ethylene is a very important process for downstream industrial applications. Herein, we report a new MOF [CuL<sub>2</sub>(SiF<sub>6</sub>)] (UTSA-220, L = (1<i>E</i>,2<i>E</i>)-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 C<sub>2</sub>H<sub>2</sub> than those for other light hydrocarbons. The p  ...[more]

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