Deskins, N Aaron
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.
Worcester Polytechnic Institute
Major Qualifying Project
All authors have granted to WPI a nonexclusive royalty-free license to distribute copies of the work, subject to other agreements. Copyright is held by the author or authors, with all rights reserved, unless otherwise noted.