Chemical Kinetics for Advanced Combustion Strategies.
Alternative Fuels;Experimental Chemical Kinetics;Low Temperature Combustion;Rapid Compression Facility;Shock Tube;Mechanical Engineering;Engineering;Mechanical Engineering
This dissertation presents new understanding of the role of fuel chemistry on reaction pathways important to fuel oxidation and ignition at conditions relevant to advanced combustion strategies. A deeper and quantitative understanding of fuel chemistry effects on combustion behavior can be used to improve modern combustion strategies that operate at low temperature (<1200 K) conditions using conventional or alternative fuels. A comprehensive understanding of the role of fuel chemistry enables high efficiency and low emissions from combustion technologies.This work used experimental and computational studies to understand the impact of fuel chemistry at low temperature conditions that are the focus of modern combustion systems. Optically accessible facilities, including a rapid compression machine and a shock tube, were used to study global and detailed combustion chemistry of several important fuel compounds. The results of the computational study on buffer gas composition effects on fuel ignition indicated that ignition phasing is sensitive to composition effects at low pressures, high levels of dilution, and temperatures corresponding to non-Arrhenius or multi-stage conditions. The results of the work on ignition behavior of methyl trans-3-hexenoate highlighted uncertainties in unsaturated methyl ester reaction chemistry, namely the R+O2 reaction rates and products of smaller unsaturated intermediates. The data presented in the phenyl oxidation study are the first laser schlieren measurements of radical oxidation reactions and the results provide a foundation for further studies which quantify important elementary reaction rates and pathways in oxidation systems, such as phenyl+O2. In the work with the three linear hexene isomers, the length of the alkyl chain was responsible for changes in reactivity, activation energy, and measured differentiation in the formation of stable intermediates at the conditions studied.The results of these studies quantify the reactivity of important fuel compounds, which is particularly vital as fuel feed stocks change and the low temperature operating conditions of modern combustion systems become more reaction limited. The results also inform theory on reaction rate rules for elementary reactions and guide the development of detailed, global, and skeletal reaction mechanisms at low temperatures.
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Chemical Kinetics for Advanced Combustion Strategies.