Oxidation mechanism of diethyl ether: a complex process for a …
Beyond the determination of a complex oxidation mechanism for such a simple molecule, our results suggest that the two main reaction channels open in solution are the direct decomposition (β-scission) of DEE radical issued of the initiation step and the isomerization of the peroxy radical formed upon oxygen attack (DEEOO˙).
Diethyl ether oxidation: Revisiting the kinetics of the …
2022年10月15日 · Abstract. Diethyl ether is an attractive alternative to diesel fuel for its high autoignition propensity, high energy density, and potential to reduce pollutant emissions. Low-temperature oxidation kinetics play an important role governing fuel autoignition in engines.
Improved Kinetic Mechanism for Diethyl Ether Oxidation with a …
2017年2月28日 · An improved diethyl ether (DEE) reaction mechanism consisting of 174 species and 973 reactions has been proposed. The present model is derived from an original model of Yasunaga et al. [Yasunaga, K...
Diethyl ether oxidation: Revisiting the kinetics of the …
2022年10月15日 · Diethyl ether is an attractive alternative to diesel fuel for its high autoignition propensity, high energy density, and potential to reduce pollutant emissions. Low-temperature oxidation kinetics play an important role governing fuel autoignition in engines.
Oxidation of diethyl ether: Extensive characterization of products ...
2021年6月1日 · The present article reports new experimental results for the oxidation of a stoichiometric diethyl ether-oxygen-nitrogen mixture in a jet-stirred reactor at 10 atm, an equivalence ratio of 1, a residence times of 1 s, and temperatures ranging from 440 to 740 K.
A mechanistic and experimental study on the diethyl ether oxidation ...
2013年7月27日 · This work presents the results of the theoretical investigations on autoxidation process of diethyl ether (DEE), a chemical largely used as solvent in laboratories and considered to be responsible ...
Chemical Interpretation on the Multi-Stage Oxidation of Diethyl Ether ...
2022年5月11日 · 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.
[PDF] Oxidation mechanism of diethyl ether: a complex process …
2011年8月4日 · The atmospheric oxidation mechanisms of dimethyl ether, diethyl ether and diisopropyl ether are studied by using quantum chemistry and unimolecular reaction theory (RRKM-ME) calculations, suggesting their low volatility and potential contribution to secondary organic aerosols.
A Multiple Shock Tube and Chemical Kinetic Modeling Study of Diethyl …
2010年8月6日 · The pyrolysis and oxidation of diethyl ether (DEE) has been studied at pressures from 1 to 4 atm and temperatures of 900−1900 K behind reflected shock waves. A variety of spectroscopic diagnostics have been used, including time-resolved infrared absorption at 3.39 μm and time-resolved ultraviolet emission at 431 nm and absorption at 306.7 nm.
Non-Boltzmann Effects in Chain Branching and Pathway Branching …
2021年10月20日 · For diethyl ether (DEE), a promising biofuel, current estimates of the KHP decomposition rate constant are largely based on empirical fits to data. In this study, we investigate the most important KHP isomer in DEE LT oxidation by applying variable reaction coordinate transition state theory to the main pathway for KHP decomposition: OO bond ...