Understanding inflections and steps in carbon dioxide adsorption isotherms in metal-organic frameworks

被引：466

作者：

Walton, Krista S. ^{[2
]}

Millward, Andrew R. ^{[3
]}

Dubbeldam, David ^{[1
]}

Frost, Houston ^{[1
]}

Low, John J. ^{[4
]}

Yaghi, Omar M. ^{[5
]}

Snurr, Randall Q. ^{[1
]}

机构：

[1] Northwestern Univ, Dept Chem & Biol Engn, Evanston, IL 60208 USA

[2] Kansas State Univ, Dept Chem Engn, Manhattan, KS 66506 USA

[3] Univ Michigan, Dept Chem, Ann Arbor, MI 48109 USA

[4] UOP LLC, Honeywell Co, Des Plaines, IL 60017 USA

[5] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2008年 / 130卷 / 02期

关键词：

D O I：

10.1021/ja076595g

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Adsorption isotherms for CO2 in IRMOF-1 exhibit inflections that grow into pronounced steps at lower temperatures. The isotherm shapes can be predicted by molecular simulations using a rigid crystal structure, indicating that changes in the MOF crystal structure are not responsible far the steps in this system.

引用

页码：406 / +

页数：3

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