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Catalytic Dehydrogenation of Aromatic Hydrocarbons

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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.

  • This report represents the work of one or more WPI undergraduate students submitted to the faculty as evidence of completion of a degree requirement. WPI routinely publishes these reports on its website without editorial or peer review.
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  • E-project-042711-173848
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  • 2011
Date created
  • 2011-04-27
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