Oxidation and pyrolysis of methyl propyl ether

The ignition, oxidation, and pyrolysis chemistry of methyl propyl ether (MPE) was probed experimentally at several different conditions, a comprehensive chemical kinetic model constructed to help understand the observations, with many key parameters computed using quantum transition state theory. Experiments were carried out in shock tube measuring time variation CO concentrations, flow product rapid compression machine (RCM) ignition delay times. detailed reaction mechanism Reaction Mechanism Generator software. Sensitivity flux analyses used identify rate thermochemical parameters, which then improve mechanism. Validation final against 1–20 bar 600–1500 K experimental data is presented discussion kinetics. excellent agreement most RCM data. Strong non-monotonic conversion distribution observed flow-tube experiments as temperature increased, unusually strong pressure dependence significant heat release during stroke experiments. These observations are largely explained by close competition between radical decomposition addition sites MPE; this causes small shifts conditions lead big dominant pathways. validated study occurring diesel engine, simulated Ignition Quality Test (IQT) conditions. At IQT where MPE concentration higher, bimolecular reactions peroxy radicals much more important than RCM.