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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.
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Computer Aided Chemical EngineeringMathematical Modelling of Gas-Phase Complex Reaction Systems: Pyrolysis and Combustionpp.203-257, (2019)
Physical Chemistry Chemical Physicsno. 14 (2018): 9671-9671
JOURNAL OF PHYSICAL CHEMISTRY Ano. 44 (2018): 8808-8808
Physical Chemistry Chemical Physicsno. 14 (2018): 9671-9671
Kay Tindle,Robert Duncan,Anthony Dean, Steve Tupper, Ronald White, Van Romero,Richard Yetter,Stephen Tse, Jan Puszynski,Dilhan Kalyon,Michelle Pantoya
Energetic Materialspp.269-278, (2017)
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