LrgpV1, Main, Merge, bibRecord, 000C05

Detailed product analysis during the low temperature oxidation of n-butane

Identifieur interne : 000C05 ( Main/Merge ); précédent : 000C04; suivant : 000C06

Detailed product analysis during the low temperature oxidation of n-butane

Auteurs : Olivier Herbinet [France] ; Frédérique Battin-Leclerc [France] ; Sarah Bax [France] ; Hervé Le Gall [France] ; Pierre Alexandre Glaude [France] ; René Fournet [France] ; Zhongyue Zhou [République populaire de Chine] ; Liulin Deng [République populaire de Chine] ; Huijun Guo [République populaire de Chine] ; Mingfeng Xie [République populaire de Chine] ; Fei Qi [République populaire de Chine]

Source :

Physical Chemistry Chemical Physics [ 1463-9076 ] ; 2011.

RBID : Hal:hal-00602156

Abstract

The products obtained from the low-temperature oxidation of n-butane in a jet-stirred reactor (JSR) have been analysed using two methods: gas chromatography analysis of the outlet gas and reflectron time-of-flight mass spectrometry. The mass spectrometer was combined with tunable synchrotron vacuum ultraviolet photoionization and coupled with a JSR via a molecular-beam sampling system. Experiments were performed under quasi-atmospheric pressure, for temperatures between 550 and 800 K, at a mean residence time of 6 s and with a stoichiometric n-butane/oxygen/argon mixture (composition = 4/26/70 in mol%). 36 reaction products have been quantified, including in addition to the usual oxidation products, acetic acid, hydrogen peroxide, C1, C2 and C4 alkylhydroperoxides and C4 ketohydroperoxides. Evidence of the possible formation of products (dihydrofuranes, furanones) derived from cyclic ethers has also been found. The performance of a detailed kinetic model of the literature has been assessed with the simulation of the formation of this extended range of species. These simulations have also allowed the analysis of possible pathways for the formation of some obtained products.

Url:

https://hal.archives-ouvertes.fr/hal-00602156

DOI: 10.1039/C0CP00539H

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<author><name sortKey="Deng, Liulin" sort="Deng, Liulin" uniqKey="Deng L" first="Liulin" last="Deng">Liulin Deng</name>
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<author><name sortKey="Guo, Huijun" sort="Guo, Huijun" uniqKey="Guo H" first="Huijun" last="Guo">Huijun Guo</name>
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<country>République populaire de Chine</country>
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<author><name sortKey="Xie, Mingfeng" sort="Xie, Mingfeng" uniqKey="Xie M" first="Mingfeng" last="Xie">Mingfeng Xie</name>
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<country>République populaire de Chine</country>
</affiliation>
</author>
<author><name sortKey="Qi, Fei" sort="Qi, Fei" uniqKey="Qi F" first="Fei" last="Qi">Fei Qi</name>
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</analytic>
<idno type="DOI">10.1039/C0CP00539H</idno>
<series><title level="j">Physical Chemistry Chemical Physics</title>
<idno type="ISSN">1463-9076</idno>
<imprint><date type="datePub">2011</date>
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<front><div type="abstract" xml:lang="en">The products obtained from the low-temperature oxidation of n-butane in a jet-stirred reactor (JSR) have been analysed using two methods: gas chromatography analysis of the outlet gas and reflectron time-of-flight mass spectrometry. The mass spectrometer was combined with tunable synchrotron vacuum ultraviolet photoionization and coupled with a JSR via a molecular-beam sampling system. Experiments were performed under quasi-atmospheric pressure, for temperatures between 550 and 800 K, at a mean residence time of 6 s and with a stoichiometric n-butane/oxygen/argon mixture (composition = 4/26/70 in mol%). 36 reaction products have been quantified, including in addition to the usual oxidation products, acetic acid, hydrogen peroxide, C1, C2 and C4 alkylhydroperoxides and C4 ketohydroperoxides. Evidence of the possible formation of products (dihydrofuranes, furanones) derived from cyclic ethers has also been found. The performance of a detailed kinetic model of the literature has been assessed with the simulation of the formation of this extended range of species. These simulations have also allowed the analysis of possible pathways for the formation of some obtained products.</div>
</front>
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Detailed product analysis during the low temperature oxidation of n-butane

Detailed product analysis during the low temperature oxidation of n-butane

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