Experimental and modeling study of the pyrolysis and combustion of dimethoxymethane

Recent Progress in the Production, Application and Evaluation of Oxymethylene Ethers

“…Based on the preliminary experiences made with OMEs, first evaluation studies have been carried out, e.g., regarding combustion kinetics , , production costs , and thermodynamic fundamentals of OME production . Furthermore, first techno‐economic as well as life‐cycle assessments have been reported , , .…”

“…With respect to combustion kinetics, two studies on the low‐ and intermediate temperature combustion of OMEs have been published very recently , . The pyrolysis and combustion of DMM has been studied theoretically by implementing ab initio‐calculated thermodynamic properties for important species and experimentally by employing an isothermal jet‐stirred reactor.…”

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

“…In 2018, Vermeire et al 15 published a combined experimental and theoretical study on DMM oxidation. To obtain thermochemical data for the most important peroxy species involved, the authors performed quantum chemical calculations at the CBS-QB3 level of theory.…”

“…To further analyze the obtained mole fraction profiles, the authors developed a kinetic model (2821 reactions, 524 species) on the basis of AramcoMech V. 2.0. Rate coefficients for the reactions of DMM were adopted from earlier studies by Kopp et al, 19 Vermeire et al, 15 and Glaude et al. 20 Under pyrolytic conditions, the decomposition of DMM mainly proceeds via C-O bond fissions, yielding either CH 3 and CH 3 OCH 2 O, reaction (R1), or OCH 3 and CH 3 OCH 2 , reaction (R2): 7,8,15,[21][22][23]…”

“…Initial DMM mole fractions range from 0.5 ppm in the shock tube/H-ARAS and 10 000 ppm in the shock tube/TOF-MS experiments. Total rate coefficients k 1+2 were deduced from the measured H atom and DMM concentration-time profiles on the basis of simulations with a small kinetic mechanism (16 reactions, 15 species, H-ARAS results) and the mechanism by Vermeire et al 15 (TOF-MS and GC/MS results). Because the rate coefficients obtained from the different experiments were found to be consistent, one overall Arrhenius expression was given: k 1+2 (T) = 10 13.28 AE 0.27 Â exp[À(247.90 AE 6.36) kJ mol À1 /(RT)] s À1 (T = 1100-1400 K, p = 1.2-2.5 bar).…”