Combustion and Flame, Vol.159, No.11, 3251-3263, 2012
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 k(tot) = 4.383 x 10(49)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 k(tot) 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. (c) 2012 The Combustion Institute. Published by Elsevier Inc. All rights reserved.