Characterization of the low-temperature oxidation chemistry of an unsaturated aldehyde 2-butenal in a Jet-stirred reactor

Unsaturated aldehydes such as butenal are essential intermediates in the combustion of various alkenes and oxygenated biofuels. 2-Butenal is a typical intermediate included in the core mechanism, containing a C=C double bond adjacent to an aldehyde group. In the present work, the oxidation of 2-butenal is studied in a jet-stirred reactor (JSR) at atmospheric pressure under temperature ranging from 500 to 850 K. The synchrotron vacuum ultraviolet photoionization mass spectrometry is employed to identify the key intermediates. A kinetic model for 2-butenal oxidation is developed and validated against the experimental datasets. Fuel flux and sensitivity analyses are performed to clarify reactions governing the reactivity of 2-butenal. OH addition to the C=C double bond is essential for fuel reactivity at the initial stage. A combination of experimental observations and kinetic simulations is used to illuminate the Waddington mechanism initiated by OH addition. The resonance-stabilized feature of fuel radicals facilitates their interactions with HO2 radicals, which replenishes a large amount of OH radicals and contributes to the formation of CO2.