The reaction kinetics of dimethyl ether. I: High-temperature pyrolysis and oxidation in flow reactors

An ignition delay and kinetic modeling study of methane, dimethyl ether, and their mixtures at high pressures

“…Species profiles were first measured by Dagaut et al [18] in a jet-stirred reactor (JSR) using fuel mixtures highly diluted in argon, for equivalence ratios from 0.2 to 1.0, at a pressure of 10 atm, and in the temperature range 550−1100 K. Subsequently, flow-reactor data were taken by Fischer et al [19] (1118 K, 3.5 atm, and 1085 K, 1 atm, φ = 0.32 − 3.40) and Curran et al [20] (550 − 850 K, 12 − 18 atm, φ = 0.7 − 4.2). These studies [19,20] also developed a detailed chemical kinetic mechanism to simulate their experimental data, using it to identify the important reaction pathways controlling DME fuel oxidation.…”

Ab initio and kinetic modeling studies of formic acid oxidation

“…of oxygenated hydrocarbons such as methanol [6] and DME [7]. The detection of carboxylic acid emissions from engines has prompted interest in the combustion chemistry of these components and their formation in laminar premixed hydrocarbon flames has been investigated both experimentally [8] and in terms of chemical kinetic modeling [9].…”

“…Detailed reaction subsets for HOCHO formation and oxidation have been proposed by Marinov [10], Fisher et al [7] and, more recently, by BattinLeclerc et al [9]. Battin-Leclerc et al conclude that formic acid in hydrocarbon flames is mostly formed from the addition of OH radicals to formaldehyde, followed by the elimination of a hydrogen atom [9], CH 2 …”

Experimental and kinetic modeling study of the shock tube ignition of a large oxygenated fuel: Tri-propylene glycol mono-methyl ether

“…It contains both the alcoholic and ether moiety, with secondary C-H bonds adjacent to the alcoholic functional group and primary, secondary and tertiary C-H bonds adjacent to the ether moieties distributed throughout the molecule. Most other oxygenated fuels investigated previously in the literature (methanol [6], iso-butanol [7], dimethyl ether [8,9] and methyl tert-butyl ether [10] etc.) are much smaller than TPGME in molecular size and are either lightly-branched or straight-chained in their skeletal structure.…”

“…Site 1 was the only site where an "alkane" rule was not used. Here, the rate constant was assumed to be the same as for fuel radical addition to O 2 for a primary site in DME [8,9]. Analogous reaction rate constant rules were used for reaction class 26, hydroperoxy-alkyl radical addition to O 2 ( ̇O OH + O 2 ↔ Ȯ 2 QOOH) reactions.…”