Toward a better understanding of 2-butanone oxidation: Detailed species measurements and kinetic modeling

To provide insight into the oxidation mechanism of 2-butanone, the newly measured experimental data was used to develop and validate a detailed chemical kinetic model. To this end, the reactions for the low-temperature regime, especially concerning early fuel consumption, radical formation, and subsequent low-temperature oxidation, were examined in detail, and used to extend and adapt an existing reaction mechanism (Burke et al., 2016 [23]) to more accurately predict the new low-temperature conditions studied. The resulting model that incorporates the latest theoretical kinetic calculations available in the literature was compared to the measurements presented here as well as validated using literature data. To the authors' knowledge, the present model represents the most robustly validated mechanism available for the prediction of 2-butanone combustion targets to date.