Copper-based metal–organic framework with two methane traps for efficient CH4/N2 separation

IF 3.7 3区工程技术 Q2 ENGINEERING, CHEMICAL

Chinese Journal of Chemical Engineering Pub Date : 2025-03-01 DOI:10.1016/j.cjche.2024.12.002

Zhiwei Zhao , Yating Wang , Yuhao Tang , Xiaoqing Wang , Feifei Zhang , Jiangfeng Yang

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Abstract

Unconventional natural gas has become an important supplement to conventional energy sources, and the process of enrichment and purification of methane from low concentration coalbed methane is crucial. To this end, we report a copper-based metal–organic framework (MOF), ZJNU-119Cu, featuring two methane traps constructed with uncoordinated carboxylic acid oxygens and open metal sites. ZJNU-119Cu exhibits a high methane adsorption capacity (58.2 cm³·g⁻¹) at 298 K and 0.1 MPa and excellent CH₄/N₂ separation performance under dynamic conditions. Density-functional theory calculations combined with grand canonical Monte Carlo simulation theory reveal the interaction mechanism for the uncoordinated carboxylic acid oxygen atoms and open metal sites in ZJNU-119Cu with CH₄. The gas adsorption isotherms, heat of adsorption calculations, and breakthrough separation experiments indicate that this MOF is a very promising adsorbent for CH₄/N₂ separation.

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来源期刊

Chinese Journal of Chemical Engineering 工程技术-工程：化工

CiteScore

6.60

自引率

5.30%

发文量

4309

审稿时长

31 days

期刊介绍： The Chinese Journal of Chemical Engineering (Monthly, started in 1982) is the official journal of the Chemical Industry and Engineering Society of China and published by the Chemical Industry Press Co. Ltd. The aim of the journal is to develop the international exchange of scientific and technical information in the field of chemical engineering. It publishes original research papers that cover the major advancements and achievements in chemical engineering in China as well as some articles from overseas contributors. The topics of journal include chemical engineering, chemical technology, biochemical engineering, energy and environmental engineering and other relevant fields. Papers are published on the basis of their relevance to theoretical research, practical application or potential uses in the industry as Research Papers, Communications, Reviews and Perspectives. Prominent domestic and overseas chemical experts and scholars have been invited to form an International Advisory Board and the Editorial Committee. It enjoys recognition among Chinese academia and industry as a reliable source of information of what is going on in chemical engineering research, both domestic and abroad.