A comprehensive experimental and kinetic modeling study of 1-hexene

It is important to understand the low-temperature chemistry of 1-hexene as it used a representative alkene component in gasoline surrogate fuels. Ignition delay times (IDTs) measured rapid compression machines (RCMs) can be validate its chemistry. However, volume history profiles are not available for published RCM IDT data. This has restricted validation at engine-relevant conditions (i.e. low temperatures and high pressures). Thus, new data with associated needed. In this study, both an high-pressure shock tube (ST) employed measure IDTs equivalence ratios 0.5, 1.0 2.0 ‘air’ pressures 15 30 atm. A cool-flame (first stage) total (second ignition was observed experiments. Moreover, carbon monoxide water versus time histories produced during oxidation highly diluted were ST. detailed chemical kinetic model describing proposed validated using these together various experimental literature. The predict well auto-ignition behavior processes conditions. rate constants branching ratio hydroxyl radical addition double bond particularly discussed based on theoretically calculated results from previous studies jet-stirred reactor (JSR) species profiles. Flux sensitivity analyses performed determine reaction classes show that reactions hydroxy contribute most reactivity 1-hexene. negative temperature coefficient (NTC) regime, isomerization hexenyl-peroxy radicals promotes fuel due chain pathways.