Separation and molecular-level segregation of complex alkane mixtures in metal-organic frameworks

被引：115
|
作者：
Dubbeldam, David [1 ]
Galvin, Casey J. [1 ]
Walton, Krista S. [2 ]
Ellis, Donald E. [3 ]
Snurr, Randall Q. [1 ]
机构：
[1] Northwestern Univ, Dept Biol & Chem Engn, Evanston, IL 60208 USA
[2] Kansas State Univ, Dept Chem Engn, Manhattan, KS 66506 USA
[3] Northwestern Univ, Dept Phys & Astron, Evanston, IL 60208 USA
来源：
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2008年 / 130卷 / 33期
基金：
美国国家科学基金会;
关键词：
D O I：
10.1021/ja804039c
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
In this computational work we explore metal-organic frameworks (MOFs) for separating alkanes according to the degree of branching. We show that the structure MOF-1 shows an adsorption hierarchy for a 13-component light naphtha mixture precisely as desired for increasing the research octane number of gasoline. In addition we report an unusual molecular-level segregation of molecules based on their degree of branching.
引用
收藏
页码：10884 / +
页数：3
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