Separation and molecular-level segregation of complex alkane mixtures in metal-organic frameworks.
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.
Dubbeldam
David
D
Department of Chemical and Biological Engineering, Northwestern University, Evanston, Illinois 60208, USA.
Galvin
Casey J
CJ
Walton
Krista S
KS
Ellis
Donald E
DE
Snurr
Randall Q
RQ
D000327:Adsorption; D000473:Alkanes / Q000737:chemistry*; D015394:Molecular Structure; D049329:Nanostructures / Q000737:chemistry*; D016062:Porosity; D017640:Silicates / Q000737:chemistry*; D013499:Surface Properties; D017641:Zeolites / Q000737:chemistry*
D000473:Alkanes; D017640:Silicates; D017641:Zeolites