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

David Dubbeldam; Casey J. Galvin; Krista S. Walton; Donald E. Ellis; Randall Q. Snurr

doi:10.1021/ja804039c

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

David Dubbeldam, Casey J. Galvin, Krista S. Walton, Donald E. Ellis, Randall Q. Snurr

Research output: Contribution to journal › Article › peer-review

122 Scopus citations

Abstract

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.

Original language	English (US)
Pages (from-to)	10884-10885
Number of pages	2
Journal	Journal of the American Chemical Society
Volume	130
Issue number	33
DOIs	https://doi.org/10.1021/ja804039c
State	Published - Aug 20 2008

ASJC Scopus subject areas

General Chemistry
Biochemistry
Catalysis
Colloid and Surface Chemistry

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10.1021/ja804039c

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abstract = "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.",

author = "David Dubbeldam and Galvin, {Casey J.} and Walton, {Krista S.} and Ellis, {Donald E.} and Snurr, {Randall Q.}",

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AU - Dubbeldam, David

AU - Galvin, Casey J.

AU - Walton, Krista S.

AU - Ellis, Donald E.

AU - Snurr, Randall Q.

PY - 2008/8/20

Y1 - 2008/8/20

N2 - 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.

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

Abstract

ASJC Scopus subject areas

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