Faculty Advisor

Deskins, N Aaron

Abstract

The purpose of this paper is to investigate the decomposition of several aromatic, tar compounds over a Pt (111) surface. Density functional theory is used for the modeling. Atomic adsorption energies are found and used to find reaction energies in agreement with other works. A favorable reaction pathway for the dehydrogenation reaction of benzene to dehydrobenzyne is calculated, as well as the dehydrogenation reaction pathway for naphthalene.

Publisher

Worcester Polytechnic Institute

Date Accepted

April 2011

Major

Chemical Engineering

Project Type

Major Qualifying Project

Accessibility

Unrestricted

Advisor Department

Chemical Engineering

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