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

Published

March 14, 2019

Author(s)

Hao Li, Libo Li, Rui-Biao Lin, Giorgio Ramirez, Wei Zhou, Rajamani Krishna, Zhangjing Zhang, Shengchang Xiang, Banglin Chen

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 C₂H_{4 has also been demonstrated by a dynamic breakthrough experiment performed with C}d2^H₂/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.

Citation

ACS Sustainable Chemistry & Engineering

Volume

7

Issue

5

Pub Type

Journals

Download Paper

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Keywords

Porous Material, Gas Adsorption, Gas Separation

Citation

Li, H. , Li, L. , Lin, R. , Ramirez, G. , Zhou, W. , Krishna, R. , Zhang, Z. , Xiang, S. and Chen, B. (2019), Microporous Metal-Organic Framework with Dual Functionalities for Efficient Separation of Acetylene from Light Hydrocarbon Mixtures, ACS Sustainable Chemistry & Engineering, [online], https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=927415 (Accessed April 20, 2024)