期刊
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
卷 130, 期 33, 页码 10884-+出版社
AMER CHEMICAL SOC
DOI: 10.1021/ja804039c
关键词
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资金
- National Science Foundation [CTS0507013]
- Department of Energy [DEFG02-1ER15244]
- TeraGrid
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.
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