LrgpV1, Main, Curation, bibRecord, 000D72

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

Identifieur interne : 000D72 ( Main/Curation ); précédent : 000D71; suivant : 000D73

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 : PCCP [ 1463-9076 ] ; 2010.

RBID : PMC:3616266

Descripteurs français

KwdFr :
- Butanes (analyse), Chromatographie en phase gazeuse (instrumentation), Oxydoréduction, Spectrométrie de masse (instrumentation), Température.
MESH :
- analyse : Butanes.
- instrumentation : Chromatographie en phase gazeuse, Oxydoréduction, Spectrométrie de masse, Température.

English descriptors

KwdEn :
- Butanes (analysis), Chromatography, Gas (instrumentation), Mass Spectrometry (instrumentation), Oxidation-Reduction, Temperature.
MESH :
- chemical , analysis : Butanes.
- instrumentation : Chromatography, Gas, Mass Spectrometry.
- Oxidation-Reduction, Temperature.

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 6s and with a stoichiometric n-butane/oxygen/argon mixture (composition = 4/26/70 in mol %). 36 reaction products have been quantified, including 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:

http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3616266

DOI: 10.1039/c0cp00539h
PubMed: 21031192
PubMed Central: 3616266

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Le document en format XML

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<term>Oxidation-Reduction</term>
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<term>Temperature</term>
</keywords>
<keywords scheme="MESH" qualifier="instrumentation" xml:lang="fr"><term>Chromatographie en phase gazeuse</term>
<term>Oxydoréduction</term>
<term>Spectrométrie de masse</term>
<term>Température</term>
</keywords>
</textClass>
</profileDesc>
</teiHeader>
<front><div type="abstract" xml:lang="en"><p id="P1"><graphic xlink:href="emss-52619-f0001.jpg" position="float" orientation="portrait"></graphic>
</p>
<p id="P2">The products obtained from the low-temperature oxidation of <italic>n-</italic>
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 6s and with a stoichiometric <italic>n</italic>
-butane/oxygen/argon mixture (composition = 4/26/70 in mol %). 36 reaction products have been quantified, including addition to the usual oxidation products, acetic acid, hydrogen peroxide, C<sub>1</sub>
, C<sub>2</sub>
 and C<sub>4</sub>
 alkylhydroperoxides and C<sub>4</sub>
 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.</p>
</div>
</front>
</TEI>
</record>

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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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