Experimental investigation of methanol oxidation in flames: Mechanisms and rate constants of elementary steps

A shock tube study of CH 3 OH + OH → Products using OH laser absorption

“…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 À10%/+17% at 961 K and À12%/+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 k 1 (210-1231 K) = 5.71 Â 10 4 T 2.62 exp(343/T[K]) cm 3 mol À1 s À1 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.…”

A shock tube study of the reactions of the hydroxyl radical with several combustion species

“…Except for a flame study [54] in which k s was extracted from a complex system, the present study is the only measurement substantially above 1000 K. It thus provides new confirmation for the reliability of the recommendations of [23] and [52].…”

A comprehensive mechanism for methanol oxidation

“…The agreement with Bowman's shocktube ignition delay measurements [6] was less satisfactory, and only a small subset of the data were reported. Laminar-flame-species profiles were compared to data of Vandooren and Van Tiggelen [7,8], Pauwels et al [9], and Bradley [10]. Although the calculation technique was not specified, it is apparent that the species profiles were forced to match the data point closest to the burner face.…”

“…Temperatures are typically determined using radiation-corrected thermocouple measurements. Species profiles are typically determined by quartz microprobe sampling and gas chromatography for stable species [9,10,57], molecular beam sampling mass spectrometry for both stable and radical species [7,8,58,59], and/or electron spin resonance for H, O and OH [9,60].…”

“…Vandooren and Van Tiggelen performed molecular beam mass spectrometric analysis of three methanol flames with oxygen, argon and/or hydrogen at 40 torr [7,8]. The measured species profiles included the major and minor stable species, as well as H, O, OH, and CH 3 O (a combination of methoxy and hydroxymethyl radicals).…”