Mechanistic Aspects of the Hydrodeoxygenation of Phenolics and Furanics over Supported Metal Catalysts

Resasco, Daniel

Title:

Mechanistic Aspects of the Hydrodeoxygenation of Phenolics and Furanics over Supported Metal Catalysts

dc.contributor.author	Resasco, Daniel
dc.contributor.corporatename	Georgia Institute of Technology. School of Chemical and Biomolecular Engineering	en_US
dc.contributor.corporatename	University of Oklahoma	en_US
dc.date.accessioned	2016-11-02T20:14:16Z
dc.date.available	2016-11-02T20:14:16Z
dc.date.issued	2016-10-19
dc.description	Presented on October 19, 2016 from 4-5 p.m. in room G011 of the Molecular Science and Engineering Building on the Georgia Tech campus.	en_US
dc.description	Daniel Resasco is a Professor at the University of Oklahoma.	en_US
dc.description	Runtime: 53:53 minutes	en_US
dc.description.abstract	Elucidating the detailed reaction mechanisms of the hydrodeoxygenation (HDO) of phenolics has been the goal of a number of recent studies. Yet, there are aspects of the mechanism that remain unsettled and require further analysis. Microkinetic and theoretical studies have been conducted on a series of different metal supported on various oxide supports with varying degrees of reducibility and acidity. Depending on the metal and support used, different mechanisms are operational. Density functional theory (DFT) calculations show that the energy barrier for the direct dehydroxylation of m-cresol over Pt and Pd surfaces is too high, indicating that this path is unfavorable. Instead, a path via a ketone tautomer that undergoes hydrogenation of the carbonyl group followed by dehydration to form toluene and water is favorable on these noble metals. By contrast, over the more oxophilic Ru or Fe surfaces the direct dehydroxylation of m-cresol becomes more favorable than the tautomerization route. In addition, the selective deactivation of the different types of sites present on the metal catalyst as well as the effect of this deactivation on HDO selectivity have been investigated on a micro-pulse reactor over a series of metal catalysts of varying particle size and simulated with DFT calculations over FCC metal surfaces of varying defect densities.	en_US
dc.format.extent	53:53 minutes
dc.identifier.uri	http://hdl.handle.net/1853/56000
dc.language.iso	en_US	en_US
dc.publisher	Georgia Institute of Technology	en_US
dc.relation.ispartofseries	School of Chemical and Biomolecular Engineering Seminar Series	en_US
dc.relation.ispartofseries	School of Chemical and Biomolecular Engineering Seminar Series
dc.subject	Density functional theory	en_US
dc.subject	Norman	en_US
dc.title	Mechanistic Aspects of the Hydrodeoxygenation of Phenolics and Furanics over Supported Metal Catalysts	en_US
dc.type	Moving Image
dc.type.genre	Lecture
dspace.entity.type	Publication
local.contributor.corporatename	School of Chemical and Biomolecular Engineering
local.contributor.corporatename	College of Engineering
local.relation.ispartofseries	School of Chemical and Biomolecular Engineering Seminar Series
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