Boosting C_(2)H_(6)/C_(2)H_(4) separation via the precise electrostatic modulation of synthetic 1D channel at atomic level  

作　　者：Salamanti Ainiwaner Hengcong Huang Jia-Jia Zheng Fengting Li Xue-Tong Yang Yang-Yang Guo Fangli Yuan Ming-Shui Yao Yifan Gu 

机构地区：[1]College of Environmental Science and Engineering, State Key Laboratory of Pollution Control and Resource Reuse, Tongji University, Shanghai, 200092, China [2]Laboratory of Theoretical and Computational Nanoscience, National Center for Nanoscience and Technology, Chinese Academy of Sciences, Beijing, 100190, China [3]Skate Key Laboratory of Mesoscience and Engineering, Institute of Process Engineering, Chinese Academy of Sciences, Beijing, 100190, China [4]Chinese Academy of Sciences, University of Chinese Academy of Sciences, Beijing, 100049, China

出　　处：《Nano Research》2024年第11期10083-10087,共5页纳米研究（英文版）

基　　金：supported by the National Key Research and Development Program of China(No.2022YFE0110500);the National Natural Science Foundation of China(No.22376161);the research fund of State Key Laboratory of Mesoscience and Engineering(Nos.MESO-23-A07,MESO-23-T02,and MESO-23-T05);the Qinghai Provincial Key Laboratory of Geology and Environment of Salt Lakes(No.2024-KFKT-A09);the Science and Technology Plan Project of Qinghai Province Incentive Fund 2022–2024);the Fundamental Research Funds for the Central Universities of China.

摘　　要：The regulation of gas sorption via simple pore modification is crucial to molecular recognition and chemical separation.Herein,a rational pore surface electrostatic modulation in synthetic one dimensioned(1-D)channel is demonstrated to boost ethane/ethylene(C_(2)H_(6)/C_(2)H_(4))selectivity for one-step extraction of C_(2)H_(4) from C_(2)H_(6)/C_(2)H_(4) mixtures.Through the precise modulation of the surface charge arrangement with negatively charged moieties in the 1-D channel of a metal—organic framework(MOF),enhanced C_(2)H_(6)—host framework and decreased C_(2)H_(4)—host framework electrostatic interactions were obtained,which resulted in an obvious improvement in adsorption selectivity.Furthermore,the breakthrough separation performance rendered the obtained MOF an efficient adsorbent for C_(2)H_(4) purification from C_(2)H_(6)/C_(2)H_(4) mixture.The combined detail theoretical studies prove that the gas sorption selectivity is remarkably sensitive to framework electrostatic change even in the case of pore surface modification at the atomic level.These results are of fundamental importance to the design of porous materials for challenging separation tasks.

关 键 词：metal—organic framework ethane/ethylene separation ethane—selective MOF adsorption electrostatic modulation 

分 类 号：O64[理学—物理化学]