典型文献
Screening and design of COF-based mixed-matrix membrane for CH4/N2 separation
文献摘要：
Membrane separation is a high-efficiency,energy-saving,and environment-friendly separation technol-ogy.Covalent organic framework(COF)-based mixed-matrix membranes(MMMs)have broad application prospects in gas separation and are expected to provide new solutions for coal-bed methane purification.Herein,a high-throughput screening method is used to calculate and evaluate COF-based MMMs for CH4/N2 separation.General design rules are proposed from thermodynamic and kinetic points of view using the computation-ready,experimental COFs.From our database containing 471,671 generated COFs,5 COF membrane materials were screened with excellent membrane selectivities,which were then used as the filler of MMMs for separation performance evaluation.Among them,BAR-NAP-Benzene_CF3 com-bined with polydimethylsiloxane and styrene-b-butadiene-b-styrene show high CH4 permeability of 4.43×10-13 mol·m·s-1·Pa-1·m-2 and high CH4/N2 selectivity of 9.54,respectively.The obtained results may provide reasonable information for the design of COF-based membranes for the efficient separation of CH4/N2.
文献关键词：
中图分类号：
作者姓名：
Tongan Yan;Dahuan Liu;Qingyuan Yang;Chongli Zhong
作者机构：
State Key Laboratory of Organic-Inorganic Composites,Beijing University of Chemical Technology,Beijing 100029,China;State Key Laboratory of Separation Membranes and Membrane Processes,Tiangong University,Tianjin 300387,China
文献出处：
引用格式：
[1]Tongan Yan;Dahuan Liu;Qingyuan Yang;Chongli Zhong-.Screening and design of COF-based mixed-matrix membrane for CH4/N2 separation)[J].中国化学工程学报（英文版）,2022(02):170-177
A类：
B类：
Screening,design,mixed,matrix,CH4,N2,separation,Membrane,is,high,efficiency,energy,saving,environment,friendly,technol,ogy,Covalent,organic,framework,membranes,MMMs,have,broad,application,prospects,gas,are,expected,provide,new,solutions,coal,bed,methane,purification,Herein,throughput,screening,method,used,calculate,evaluate,General,rules,proposed,from,thermodynamic,kinetic,points,view,using,computation,ready,experimental,COFs,From,our,database,containing,generated,materials,were,screened,excellent,selectivities,which,then,filler,performance,evaluation,Among,them,BAR,NAP,Benzene,CF3,bined,polydimethylsiloxane,styrene,butadiene,show,permeability,Pa,selectivity,respectively,obtained,results,may,reasonable,information,efficient
AB值：
0.640083
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