Browsing College of Science by Author "Klippenstein, Stephen J."
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Small ester combustion chemistry: Computational kinetics and experimental study of methyl acetate and ethyl acetate
Ahmed, Ahfaz; Pitz, William J.; Cavallotti, Carlo; Mehl, Marco; Lokachari, Nitin; Nilsson, Elna J. K.; Wang, Jui-Yang; Konnov, Alexander A.; Wagnon, Scott W.; Chen, Bingjie; Wang, Zhandong; Kim, Seonah; Curran, Henry J.; Klippenstein, Stephen J.; Roberts, William L.; Sarathy, S. Mani (Elsevier, 2018-07-17)Small esters represent an important class of high octane biofuels for advanced spark ignition engines. They qualify for stringent fuel screening standards and could be synthesized through various pathways. In this work, ... -
Theoretical kinetics analysis for Ḣ atom addition to 1,3-Butadiene and related reactions on the Ċ4H7 potential energy surface
Li, Yang; Klippenstein, Stephen J.; Zhou, Chong-Wen; Curran, Henry J. (American Chemical Society, 2017-09-08)The oxidation chemistry of the simplest conjugated hydrocarbon, 1,3-butadiene, can provide a first step in understanding the role of polyunsaturated hydrocarbons in combustion and, in particular, an understanding of their ...