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Research Abstracts Online
January - December 2011

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University of Minnesota Twin Cities
College of Science and Engineering
Department of Chemical Engineering and Materials Science

PI: Aditya Bhan

Kinetics and Methylation of Olefins on Solid Acid Catalysts

The conversion of methanol to hydrocarbons represents the final step in upgrading any gasifiable feedstock to fuels and chemicals. These researchers have initiated a combined experimental and theoretical research effort to understand the kinetics and mechanism of these reactions on inorganic molecular sieve catalysts used in industrial practice. Using density functional theory (DFT), they are investigating the catalytic site requirements and mechanisms for olefin methylation reactions in this catalytic cycle. Specifically, DFT is used to probe electronic mechanisms that govern elementary steps and to distinguish competing mechanisms based on identification of intermediates that are not directly observable by spectroscopy.

Group Members

Samuel Blass, Undergraduate Student
Hsu Chiang, Graduate Student
Ning Gan, Undergraduate Student
Mark N. Mazar, Graduate Student
Srinivas Rangarajan, Graduate Student