Chemical Interpretation on the Multi-Stage Oxidation of Diethyl Ether

• Published in: Journal of thermal science Vol. 32; no. 2; pp. 513 - 520
• Main Authors: Sakai, Yasuyuki, Nakamura, Hisashi, Sugita, Toru, Tezuka, Takuya, Uygun, Yasar
• Format: Journal Article
• Language: English
• Published: Berlin/Heidelberg Springer Berlin Heidelberg 01.03.2023; Springer Nature B.V
• Subjects: Chain branching; Chemiluminescence; Classical and Continuum Physics; Cleavage; Contributed by the 3rd International Discussion Meeting on Chemistry and Technology of Combustion Application (CTCA 2021); Diethyl ether; Engineering Fluid Dynamics; Engineering Thermodynamics; Flame structure; Heat and Mass Transfer; Hydrogen peroxide; Low temperature; Oxidation; Physics; Physics and Astronomy; Reaction kinetics; Temperature profiles; weak flame; micro flow reactor; diethyl ether; reaction path; multi-stage oxidation
• ISSN: 1003-2169; 1993-033X
• DOI: 10.1007/s11630-022-1631-8

Multi-stage ignition and/or double NTC (negative temperature coefficient) behavior resulted from the low-temperature oxidation of ether compounds are still not clearly explained. We have investigated the oxidation mechanism of a stoichiometric DEE (diethyl ether)/air mixture by using a micro flow reactor with a controlled temperature profile to see the detail of low-temperature weak flame structure. The simulation was also performed to understand the chemical kinetics mechanism of observed weak flame structure. Chemiluminescence measurement showed separated weak flame in the temperature range of 600 K–800 K. The simulation also qualitatively reproduced this separated weak flame, and showed four peak of heat release. From the reaction flow analysis, it was found that (1) O-O bond scission reaction of keto-hydroperoxide produced by DEE, (2) O-O bond scission reaction of CH 3 O 2 H, CH 3 CO 3 H, and C 2 H 5 O 2 H, (3) O-O bond scission reaction of H 2 O 2 , and (4) H+O 2 =O+OH are key chain branching reactions to explain the multi-stage oxidation.