Adsorption and separation of binary mixtures in a metal-organic framework Cu-BTC: A computational study

被引：123

作者：

Wang, Sanyue ^{[1
]}

Yang, Qingyuan ^{[1
]}

Zhong, Chongli ^{[1
]}

机构：

[1] Beijing Inst Chem Technol, Dept Chem Engn, Key Lab Bioprocess Beijing, Beijing 100029, Peoples R China

来源：

SEPARATION AND PURIFICATION TECHNOLOGY | 2008年 / 60卷 / 01期

关键词：

metal-organic framework; adsorption; gas separation; molecular simulations;

D O I：

10.1016/j.seppur.2007.07.050

中图分类号：

TQ [化学工业];

学科分类号：

0817 ;

摘要：

Grand canonical Monte Carlo simulations were conducted to systematically evaluate the adsorption separation of three binary mixtures, CO2/CO, C2H4/CO2, and C2H4/C2H6, in a metal-organic framework Cu-BTC at room temperature. The simulated results showed that Cu-BTC could be potentially used for the purification of carbon monoxide, capture of carbon dioxide and separation of olefin/paraffin. The topology structure of the side pockets in Cu-BTC caused the selective adsorption behaviors between gas components, and its effects were more evident at low adsorption loadings. The results also provided qualitative guidelines for the synthesis and design of new MOFs for applications in mixture separations. (c) 2007 Elsevier B.V. All rights reserved.

引用

页码：30 / 35

页数：6

共 30 条

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