Temperature- and pressure-dependent kinetics of the competing C–O bond fission reactions of dimethoxymethane

Abstract

Under typical shock tube conditions, dimethoxymethane decomposes mainly to give CH3 + OCH2OCH3.

A Mini-Review on the Advances in the Kinetic Understanding of the Combustion of Linear and Cyclic Oxymethylene Ethers

“…The assumption that the rates of the unimolecular C–O decomposition can be taken as for DME and DEE is therefore somewhat acceptable in the low-temperature range. However, as a dedicated work on the unimolecular bond scission reactions of OME 1 , the calculated rate constants by Golka et al are expected to be more accurate as it matches the experimentally measured rate constants at lower pressures.…”

“…The roaming reaction (R7) has been shown to be sensitive on reactivity only at elevated temperatures. , The kinetic parameters found in literature vary by several orders of magnitude, as illustrated in Figure . Note that, in their experimental work, Golka et al indicated that no molecular channel was found.…”

“…The base model used was AramcoMech 3.0 . The unimolecular C–O bond fission reaction rate constants were adopted from theoretical work . The reaction rate constant from ref was used for the intramolecular elimination, producing methanol and a carbene.…”

“…The reaction rate constant from ref was used for the intramolecular elimination, producing methanol and a carbene. However, the products from this molecular channel were not detected experimentally . The H atom abstraction reactions by Ḣ and ĊH 3 were adopted from Vermeire et al The β-scission reactions of fuel radicals were taken as analogies to DME.…”

“…High pressure reaction rate constants for (R1) (black) and (R2) (gray). Solid lines represent data from ref , and dotted lines represent data from ref .…”