Investigation of OH + Fuel Elementary Reaction
Date: Monday, April 12, 2021, 12:00 PM - 12:30 PM
Chemical kinetic models are required in designing and optimizing novel engine concepts as well as selecting appropriate renewable fuels. Among the many reactions controlling fuel reactivity, OH + Fuel elementary reaction is one of the most important reaction that plays a critical role from low to high temperatures. In this talk, OH + Fuel elementary reactions are discussed for a selection of conventional and renewable fuels. The overall rate coefficients are measured in a shock tube using OH time-history profiles recorded with a UV laser diagnostic.
Alkanes constitute important components of gasoline and diesel. Overall rate coefficients are measured for a series of large branched alkanes and rate rules are then derived based on the next-nearest-neighbor classification method. Next, OH reaction with the simplest alcohol, methanol, is studied. For OH + methanol reaction, site-specific contributions from different C-H bonds are quantified using deuterium kinetic isotopic effect, and the measured rate coefficients are found to improve the general behavior of a detailed methanol kinetic model. Finally, reactions of OH + cyclohexadienes, relevant for the fate of polycyclic aromatics hydrocarbons, are investigated. A highly complex temperature dependence is observed for these molecules, where a six-parameter Arrhenius expression is needed to describe the overall reactivity. The work reported in this talk provides elementary reaction data that are highly valuable for increasing the fidelity and accuracy of predictive chemical kinetic models.
Dapeng Liu is a Ph.D. candidate in the mechanical engineering program at KAUST. He is supervised by Professor Aamir Farooq. Before joining KAUST, he received his bachelor's degree from Xi'an JiaoTong University (XJTU), China. His background in laser diagnostics, fuel kinetics, and shock tubes fuels his passion for revealing the kinetics of combustion such as soot formation and fuel oxidation. His PhD thesis work is focused on studying the rate constants of elementary reactions.