Article ID Journal Published Year Pages File Type
6679274 Proceedings of the Combustion Institute 2015 8 Pages PDF
Abstract
The rate coefficient for the reaction of methanol (CH3OH) with the hydroxyl (OH) radical was determined in reflected shock wave experiments at temperatures of 961-1231 K and pressures of 1.18-1.48 atm. Pseudo-first order reaction conditions were achieved with mixtures of CH3OH and tert-butyl hydroperoxide (TBHP) diluted in argon. Rapid thermal decomposition of TBHP at high temperatures was used as a fast OH radical source, and OH time-histories were measured using laser absorption of OH radicals near 306.7 nm. The rate coefficient of the title reaction was found from best-fit comparison of simulated OH profiles with measured data, using simulations from the Wang et al. USC-Mech II reaction mechanism (2007). A detailed uncertainty analysis was performed, with estimated uncertainties of −10%/+17% at 961 K and −12%/+18% at 1231 K. The current results agree well with the results of Vandooren and Van Tiggelen (1981), Hess and Tully (1989), and Xu and Lin (2007). The three-parameter Arrhenius expression k1(210-1231 K) = 5.71 × 104 T2.62 exp(343/T[K]) cm3mol−1s−1 is recommended from a fit to the combined data of Hess and Tully (1989), Jiménez et al. (2003), Dillon et al. (2005), and the current work.
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Physical Sciences and Engineering Chemical Engineering Chemical Engineering (General)
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