On the Ignition Chemistry of an Unsaturated Methyl Ester: methyl trans-3-hexenoate

摘要

The current work presents the results of an experimental and computational study of methyl trans-3-hexenoate ignition. Ignition studies were conducted using the University of Michigan rapid compression facility. Pressure time histories were used to determine ignition delay times as a function of test gas composition and experimental conditions. The fuel/oxygen equivalence ratio and dilution level were Φ = 0.3 and inert/O_2 = 3.76 (mole basis). End of compression conditions targeted an average pressure of 10.5 atm and temperatures ranging from 884 to 1085 K. A correlation in Arrhenius form was developed by regression analysis of the experimental data, where the ignition delay time is τ_(ign) [ms] = 1.4·10~(-6) ·exp[30100/(R{top}-)_([cal/mol/K]) ·T]] with an R~2 value of 0.99. Gas sampling experiments were also conducted to measure stable intermediates formed during ignition. A detailed reaction mechanism was developed and model predictions are compared with the experimental data. The results of the study highlight the uncertainties in the reaction chemistry of unsaturated esters.