Shock tube measurements of 3-pentanone pyrolysis and oxidation

High-temperature 3-pentanone pyrolysis and oxidation studies were performed behind reflected shock waves using laser-based species time-history measurements (3-pentanone, CH3, CO, C2H4, OH and H2O) and ignition delay time measurements. The overall 3-pentanone decomposition rate coefficient was inferred from the measured 3-pentanone and CH3 time-histories during pyrolysis at temperatures of 1070–1530 K and a pressure of 1.6 atm., and yielded a mathematical expression for ktot = 4.383 × 1049 T−10 exp(−44,780/T) s−1 with an uncertainty of ±35% over 1070–1330 K. The measured species time-histories and ignition delay times were also compared to simulations from a detailed kinetic mechanism of Serinyel et al. (2010) [14]. The measured ktot was approximately 3.5 times faster than the value used by Serinyel et al. Additionally, the absence of a methyl ketene decomposition reaction was identified as the cause of a deficiency in the O-atom balance of the measured 3-pentanone and CO time-histories. Using the revised overall 3-pentanone decomposition rate coefficient and an additional methyl ketene decomposition pathway, the modified mechanism was able to successfully simulate all six species time-histories, and showed a significant improvement in the predictions of ignition delay times. Finally, a comparison of ignition delay times and OH species time-histories during 3-pentanone, 2-pentanone and acetone oxidation found that 3-pentanone was the most reactive of the three ketones.