Probing the low-temperature chemistry of di-n-butyl ether: Detection of previously unobserved intermediates
Autor: | Fei Qi, Meirong Zeng, Julia Wullenkord, Frédérique Battin-Leclerc, Luc-Sy Tran, Olivier Herbinet, Yuyang Li, Katharina Kohse-Höinghaus |
---|---|
Přispěvatelé: | Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Universität Bielefeld, Shanghai Jiao Tong University [Shanghai], Université de Lille, CNRS, Physicochimie des Processus de Combustion et de l’Atmosphère - UMR 8522 [PC2A], Laboratoire Réactions et Génie des Procédés [LRGP] |
Jazyk: | angličtina |
Rok vydání: | 2019 |
Předmět: |
General Chemical Engineering
Analytical chemistry Third O2 addition General Physics and Astronomy Energy Engineering and Power Technology chemistry.chemical_element Ether 02 engineering and technology Biofuel Di-n-butyl ether Low-temperature oxidation Butanoic acid Double-NTC behavior Mass spectrometry 01 natural sciences 7. Clean energy Redox chemistry.chemical_compound 020401 chemical engineering 0103 physical sciences 0204 chemical engineering Plug flow reactor model Electron ionization 010304 chemical physics Chemistry [SPI.FLUID]Engineering Sciences [physics]/Reactive fluid environment General Chemistry Atmospheric temperature range Sulfur [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry Fuel Technology 13. Climate action Gas chromatography |
Zdroj: | Combustion and Flame Combustion and Flame, Elsevier, 2019, 210, pp.9-24. ⟨10.1016/j.combustflame.2019.08.022⟩ |
ISSN: | 0010-2180 |
Popis: | International audience; Di-n-butyl ether (DBE, C8H18O) has been proposed as a promising biofuel for diesel engines, but details of its low-temperature (LT) oxidation chemistry are not well understood. This paper reports new speciation data obtained in the temperature range of 400–1100 K at ϕ=1 and nearly-atmospheric pressure, using a plug flow reactor combined with electron ionization molecular-beam mass spectrometry (MBMS) and two different jet-stirred reactors coupled with either online gas chromatography or tunable synchrotron vacuum ultraviolet photoionization-MBMS.The experimental results confirm that DBE is very reactive and exhibits two negative-temperature coefficient (NTC) zones around 500–550 K and 650–750 K. Speciation data with about 40 C0-C8 species are presented, including about 20 LT species not reported previously. Among those, fuel-specific C8H16O2 cyclic ethers were quantified. Also, butanoic acid, which is present in highest amounts among the detected LT intermediates, and C8H14O3 diones, were found to peak already near 500 K, suggesting their importance in the LT chemistry of DBE. Signals of several highly oxygenated peroxides (e.g., C8H14O5 and C8H16O6) were detected, indicating third O2 addition steps. Respective reaction pathways are suggested and discussed based on these experimental results.To better understand the LT chemistry of DBE, the present data were compared to two recent DBE models (Cai et al., 2014; Thion et al., 2017). Significant discrepancies between the experimental data and both models were found for important LT intermediates, of which many were not included in the respective mechanisms. The results reported in the present study thus provide new opportunities for refining DBE kinetic models. |
Databáze: | OpenAIRE |
Externí odkaz: |