Window effect on CO2/N2 selectivity in metal organic framework materials

被引：4

作者：

Ma, Yuguang ^{[1
]}

Balbuena, Perla B. ^{[1
]}

机构：

[1] Texas A&M Univ, Dept Chem Engn, College Stn, TX 77843 USA

来源：

CHEMICAL PHYSICS LETTERS | 2012年 / 552卷

关键词：

CARBON-DIOXIDE; GAS; CO2; SEPARATION; MIXTURES; SORPTION; CH4; ADSORPTION; DIFFUSION; MEMBRANE;

D O I：

10.1016/j.cplett.2012.09.069

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Selectivity for gas separation from a binary mixture in metal organic framework (MOF) materials is identified as arising from a window effect. Our initial analysis based on geometrical models shows that the selectivity, which is related to shape and size of the gas molecules, can be tuned by the window size. Classical molecular dynamics are then used to evaluate CO2/N-2 selectivities in MOF-5 derivatives with various window structures. The results verify that the size/shape of molecular windows can change diffusion rates and consequently result in selectivity enhancement. The effect may effectively boost the overall performance of diffusion-driven separation in MOFs. (C) 2012 Elsevier B.V. All rights reserved.

引用

页码：136 / 140

页数：5

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