Towards a Comprehensive Characterization of the Low-Temperature Autoxidation of Di-n-Butyl Ether
| Autor: | Roland Benoit, Maxence Lailliau, Philippe Dagaut, Nesrine Belhadj |
|---|---|
| Přispěvatelé: | Institut de Combustion, Aérothermique, Réactivité et Environnement (ICARE), Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Institut des Sciences de l'Ingénierie et des Systèmes (INSIS), Région Centre-Val-de-Loire, EFRD, and CPER (projects PROMESTOCK and APROPOR-E), ANR-11-LABX-0006,CAPRYSSES,Cinétique chimique et Aérothermodynamique pour des Propulsions et des Systèmes Energétiques Propres(2011), ANR-10-LABX-0100,VOLTAIRE,Geofluids and Volatil elements – Earth, Atmosphere, Interfaces – Resources and Environment(2010) |
| Jazyk: | angličtina |
| Rok vydání: | 2021 |
| Předmět: |
di-butyl ether
atmospheric chemistry Kinetic modeling 020209 energy Analytical chemistry Pharmaceutical Science Organic chemistry Ether Autoxidation 02 engineering and technology Cool flame Combustion Orbitrap High-performance liquid chromatography Article Analytical Chemistry law.invention chemistry.chemical_compound QD241-441 020401 chemical engineering law Drug Discovery 0202 electrical engineering electronic engineering information engineering liquid chromatography 0204 chemical engineering Physical and Theoretical Chemistry Acetonitrile di-n-butyl ether jet-stirred reactor low-temperature oxidation high resolution mass spectrometry kinetic modeling Chemistry [SPI.FLUID]Engineering Sciences [physics]/Reactive fluid environment Oxidation -mechanism [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry 13. Climate action Chemistry (miscellaneous) Atmospheric chemistry Orbitrap MS Molecular Medicine Gas chromatography Hplc chromatography |
| Zdroj: | Molecules, Vol 26, Iss 7174, p 7174 (2021) Molecules Molecules, MDPI, 2021, 26 (23), pp.7174. ⟨10.3390/molecules26237174⟩ Molecules; Volume 26; Issue 23; Pages: 7174 |
| ISSN: | 1420-3049 |
| DOI: | 10.3390/molecules26237174⟩ |
| Popis: | In the present study, we investigated the oxidation of 2500 ppm of di-n-butyl ether under fuel-rich conditions (φ = 2) at low temperatures (460–780 K), a residence time of 1 s, and 10 atm. The experiments were carried out in a fused silica jet-stirred reactor. Oxidation products were identified and quantified in gas samples by gas chromatography and Fourier transform infrared spectrometry. Samples were also trapped through bubbling in cool acetonitrile for high-pressure liquid chromatography (HPLC) analyses. 2,4-dinitro-phenylhydrazine was used to derivatize carbonyl products and distinguish them from other isomers. HPLC coupled to high resolution mass spectrometry (Orbitrap Q-Exactive®) allowed for the detection of oxygenated species never observed before, i.e., low-temperature oxidation products (C8H12O4,6, C8H16O3,5,7, and C8H18O2,5) and species that are more specific products of atmospheric oxidation, i.e., C16H34O4, C11H24O3, C11H22O3, and C10H22O3. Flow injection analyses indicated the presence of high molecular weight oxygenated products (m/z > 550). These results highlight the strong similitude in terms of classes of oxidation products of combustion and atmospheric oxidation, and through autoxidation processes. A kinetic modeling of the present experiments indicated some discrepancies with the present data. |
| Databáze: | OpenAIRE |
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