Copper-based metaleorganic framework with two methane traps for efficient CH_(4)/N_(2) separation  

作　　者：Zhiwei Zhao Yating Wang Yuhao Tang Xiaoqing Wang Feifei Zhang Jiangfeng Yang 

机构地区：[1]College of Chemical Engineering and Technology,Taiyuan University of Technology,Taiyuan 030024,China [2]Shanxi Key Laboratory of Gas Energy Efficient and Clean Utilization,Taiyuan 030024,China

出　　处：《Chinese Journal of Chemical Engineering》2025年第3期234-240,共7页中国化学工程学报(英文版)

基　　金：financial support from the National Natural Science Foundation of China(22408258 and 22378287);the Joint Founds of the National Natural Science Foundation of China(U20B6004);the Natural Science Foundation of Shanxi Province(202303021222012).

摘　　要：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 metaleorganic 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 cm^(3)·g^(-1))at 298 K and 0.1 MPa and excellent CH_(4)/N_(2) separation performance under dynamic conditions.Densityfunctional 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 CH_(4)/N_(2) separation.

关 键 词：Natural gas Adsorption SEPARATION Uncoordinated carboxylic acid oxygens Open metal sites Methane trap 

分 类 号：TE64[石油与天然气工程—油气加工工程]