Anthony M. Dean

Although I retired June 30, 2017 as Vice President for Research, I am still active in various energy-related projects. One significant effort with my former student Dr. Kun Wang is preparation of a book chapter on the generation of rate rules for inclusion in comprehensive reaction mechanisms for the pyrolysis and oxidation of fossil and renewable fuels. Our approach is to calculate rate coefficients for a series of similar reactions with relatively small molecules (where higher levels of theory can be used) and then to use these results to generate rate rules that will be applicable to this reaction type involving larger species. We are especially interested in predicting the temperature and pressure dependence of the branching ratios of chemically-activated reactions and the kinetic characterization of the reactions that lead to production of higher molecular weight species. I’m also involved in consulting as well as manuscript and proposal reviews.

Education

• BS – Chemistry, Spring Hill College
• AM – Physical Chemistry, Harvard University
• PhD – Physical Chemistry, Harvard University

Selected Recent Publications

• “Impact of Molecular Structure on Olefin Pyrolysis”, Kun Wang, Stephanie M. Villano, and Anthony M. Dean, Energy Fuels 31, 6515−6524 (2017) http://dx.doi.org/10.1021/acs.energyfuels.7b00742
• “Experimental and Kinetic Modeling Study of Butene Isomer Pyrolysis: Part II. IsoButene”, Kun Wang, Stephanie M. Villano, and Anthony M. Dean, Combust Flame, 176 23–37 (2017). http://dx.doi.org/10.1016/j.combustflame.2016.07.036
• “Investigation of Iso-octane Ignition and Validation of a Multi-zone Modeling Method in an Ignition Quality Tester (IQT)”, Eric Osecky, Gregory Bogin, Jr., Stephanie Villano, Matthew Ratcliff, Jon Juecke, Bradley Zigler, and Anthony Dean, Energy Fuels, 30, 9761–9771 (2016). http://dx.doi.org/1021/acs.energyfuels.6b01406
•  “Impact of finite mixing on gas-phase partial oxidation for selective removal of deposit precursors from gasifier outlet streams”, Sunyoung Kim and Anthony M. Dean, Energy Fuels, 29, 6501–6511 (2015). http://dx.doi.org/10.1021/acs.energyfuels.5b01616
• “Ab Initio Study of the Influence of Resonance Stabilization on Intramolecular Ring Closure Reactions of Hydrocarbon Radicals”, Kun Wang, Stephanie M. Villano, and Anthony M. Dean, Physical Chemistry Chemical Physics 18, 8437 – 8452 (2016), http://dx.doi.org/1039/C5CP06994G
• “Reactions of Allylic Radicals that Impact Molecular Weight Growth Kinetics”, Kun Wang, Stephanie M. Villano, and Anthony M. Dean, Physical Chemistry Chemical Physics, 17, 6255 – 6273 (2015). DOI:10.1039/c4cp05308g.
• “A Comparison of H₂S, SO₂, and COS Poisoning on Ni/YSZ and Ni/K₂O-CaAl₂O₄ During Methane Steam and Dry Reforming”, Whitney S. Jablonski, Stephanie M. Villano, Anthony M. Dean, Applied Catalysis A, General, 502, 399-409 (2015). DOI:10.1016/j.apcata.2015.06.009.
• “Unravelling the impact of hydrocarbon structure on the fumarate addition mechanism – a gas-phase ab initio study”, Vivek S. Bharadwaj, Shubham Vyas, Stephanie M. Villano, C. Mark Maupin and Anthony M. Dean, Physical Chemistry Chemical Physics, 17, 4054—4066 (2015). DOI:10.1039/c4cp04317k.

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