Low-temperature oxidation of a gasoline surrogate: Experimental investigation in JSR and RCM using high-resolution mass spectrometry

Belhadj, Nesrine; Benoit, Roland; Dagaut, Philippe; Lailliau, Maxence; Moreau, Bruno; Foucher, Fabrice

doi:10.1016/j.combustflame.2021.01.037

Cited by 7 publications

(28 citation statements)

References 45 publications

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“…However, compounds such as olefinic hydroperoxides, olefinic dihydroperoxides, olefinic cyclic ethers/ketones/aldehydes, di-and tri-olefinic cyclic ethers/carbonyls, olefinic KHPs, di-olefinic KHPs, triketones, olefinic and di-olefinic diketones have not been reported. The present experimental investigation extends from that previous work 9 . Here, we focus on comparing low-temperature species formed in a motored engine, with experimental data obtained in JSR and RCM experiments.…”

Section: Introductionsupporting

confidence: 90%

“…One can note that C 7 H 12 O olefinic cyclic ethers reach a maximum at 662 K, and olefinic carbonyls at 600 K. This is consistent with the fact that olefinic ethers derive from cyclic ethers which reach a maximum concentration in the negative temperature region (>700 K) 9 . The profile presented in Figure 8g corresponds to the sum of all C 8 H 15 O + peaks (refer to Figure 8b,c, Rt ~ 11-17 min).…”

Section: Hcci Motored Enginesupporting

confidence: 80%

“…Concerning the oxidation of PRFs in rapid compression machines (RCM), oxidation intermediates deriving from n-heptane and iso-octane have been studied previously [5][6][7][8] . However, besides in our previous study 9 , no probing of fuel-specific oxidation intermediates of n-heptane/iso-octane mixtures has been performed earlier in RCM. In that study 9 , we observed the formation of a wide range of low-temperature oxidation products, e.g., hydroperoxides, diols, ketohydroperoxides (KHPs), carboxylic acids, diketones, cyclic ethers (C n H 2n O), and highly oxidized compounds produced through up to six O 2 additions on alkyl radicals (C n H 2n O 11 ).…”

Section: Introductionmentioning

confidence: 94%

“…However, besides in our previous study 9 , no probing of fuel-specific oxidation intermediates of n-heptane/iso-octane mixtures has been performed earlier in RCM. In that study 9 , we observed the formation of a wide range of low-temperature oxidation products, e.g., hydroperoxides, diols, ketohydroperoxides (KHPs), carboxylic acids, diketones, cyclic ethers (C n H 2n O), and highly oxidized compounds produced through up to six O 2 additions on alkyl radicals (C n H 2n O 11 ). However, compounds such as olefinic hydroperoxides, olefinic dihydroperoxides, olefinic cyclic ethers/ketones/aldehydes, di-and tri-olefinic cyclic ethers/carbonyls, olefinic KHPs, di-olefinic KHPs, triketones, olefinic and di-olefinic diketones have not been reported.…”

Section: Introductionmentioning

confidence: 94%

“…As in previous works 9, [16][17][18] , liquid samples were stored in a freezer at -15 °C for HRMS analyses. elsewhere 9,[19][20][21] . It has been successfully used to study the oxidation of a range of hydrocarbon mixture and commercial fuels 1,22 .…”

Section: Hcci Motored Enginementioning

confidence: 99%

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Gasoline Surrogate Oxidation in a Motored Engine, a JSR, and an RCM: Characterization of Cool-Flame Products by High-Resolution Mass Spectrometry

et al. 2022

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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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Section: Introductionsupporting

confidence: 90%

Section: Hcci Motored Enginesupporting

confidence: 80%

Section: Introductionmentioning

confidence: 94%

Section: Introductionmentioning

confidence: 94%

Section: Hcci Motored Enginementioning

confidence: 99%

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Gasoline Surrogate Oxidation in a Motored Engine, a JSR, and an RCM: Characterization of Cool-Flame Products by High-Resolution Mass Spectrometry

et al. 2022

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Experimental and kinetic modeling study of n-hexane oxidation. Detection of complex low-temperature products using high-resolution mass spectrometry

Belhadj

Lailliau

Benoit

et al. 2021

Combustion and Flame

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HAL is a multi-disciplinary open access archive for the deposit and dissemination of scientific research documents, whether they are published or not. The documents may come from teaching and research institutions in France or abroad, or from public or private research centers. L'archive ouverte pluridisciplinaire HAL, est destinée au dépôt et à la diffusion de documents scientifiques de niveau recherche, publiés ou non, émanant des établissements d'enseignement et de recherche français ou étrangers, des laboratoires publics ou privés.

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Experimental and kinetic modeling study of n-pentane oxidation at 10 atm, Detection of complex low-temperature products by Q-Exactive Orbitrap

Belhadj

Lailliau

Benoit

et al. 2022

Combustion and Flame

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Low-temperature oxidation of a gasoline surrogate: Experimental investigation in JSR and RCM using high-resolution mass spectrometry

Cited by 7 publications

References 45 publications

Gasoline Surrogate Oxidation in a Motored Engine, a JSR, and an RCM: Characterization of Cool-Flame Products by High-Resolution Mass Spectrometry

Gasoline Surrogate Oxidation in a Motored Engine, a JSR, and an RCM: Characterization of Cool-Flame Products by High-Resolution Mass Spectrometry

Experimental and kinetic modeling study of n-hexane oxidation. Detection of complex low-temperature products using high-resolution mass spectrometry

Experimental and kinetic modeling study of n-pentane oxidation at 10 atm, Detection of complex low-temperature products by Q-Exactive Orbitrap

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