Gasoline surrogate oxidation in a motored engine, a JSR, and an RCM: Characterization of cool-flame products by high-resolution mass spectrometry - CNRS - Centre national de la recherche scientifique Accéder directement au contenu
Article Dans Une Revue Energy & Fuels Année : 2022

Gasoline surrogate oxidation in a motored engine, a JSR, and an RCM: Characterization of cool-flame products by high-resolution mass spectrometry

Résumé

The oxidation of a PRF 50 gasoline surrogate (n-heptane/iso-octane) performed earlier in a jet-stirred reactor (JSR) and a rapid compression machine (RCM), showed that oxidation proceeds similarly in both conditions. The present work extends that investigation by oxidizing a n-heptane / isooctane mixture under motored engine conditions. Exhaust gases were collected through bubbling in cooled acetonitrile. The samples were analyzed by ultra-high-pressure liquid chromatography (UHPLC) coupled to high-resolution mass spectrometry (HRMS-orbitrap Q-Exactive™). Low-temperature oxidation intermediates were characterized using tandem mass spectrometry (MS/MS), H/D exchange, and 2,4-dinitrophenyl hydrazine derivatization. In addition to cyclic ethers/ketones/aldehydes (C 7 H 14 O, C 8 H 16 O), ketohydroperoxides (C 7 H 14 O 3 , C 8 H 16 O 3), diketones (C 7 H 12 O 2 , C 8 H 14 O 2), and ketodihydroperoxides (C 7 H 14 O 5 , C 8 H 16 O 5), presented in our previous work, a large set of newly detected or rarely considered low-temperature products are presented here. They include hydroperoxides and diols (C 7 H 16 O 2 , C 8 H 18 O 2), olefinic hydroperoxides/diols (C 7 H 14 O 2 , C 8 H 16 O 2), dihydroperoxides (C 7 H 16 O 4 , C 8 H 18 O 4), olefinic dihydroperoxides (C 7 H 14 O 4 , C 8 H 16 O 4), olefinic cyclic ethers/carbonyls (C 7 H 12 O, C 8 H 14 O), di-and tri-olefinic cyclic ethers/ketones/aldehydes (C 7 H 10 O, C 7 H 8 O), olefinic ketohydroperoxides (C 7 H 12 O 3 , C 8 H 14 O 3), di-olefinic ketohydroperoxides (C 7 H 10 O 3), triketones (C 7 H 10 O 3 , C 8 H 12 O 3), olefinic diketones (C 7 H 10 O 2 , C 8 H 12 O 2), di-olefinic diketones (C 7 H 8 O 2), and diketohydroperoxides (C 7 H 12 O 4 , C 8 H 14 O 4). Motored engine's low-temperature oxidation intermediates were compared to those obtained in JSR and RCM. Despite the strong differences in the experimental conditions, the results indicate the formation of the same products. This indicates that a common chemical mechanism operates in motored engine, JSR, and RCM.
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hal-03652745 , version 1 (27-04-2022)

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Nesrine Belhadj, Maxence Lailliau, Zahraa Dbouk, Roland Benoit, Bruno Moreau, et al.. Gasoline surrogate oxidation in a motored engine, a JSR, and an RCM: Characterization of cool-flame products by high-resolution mass spectrometry. Energy & Fuels, 2022, 36 (7), pp.3893-3908. ⟨10.1021/acs.energyfuels.2c00259⟩. ⟨hal-03652745⟩
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