LrgpV1, Main, Exploration, bibRecord, 000558

An experimental and modeling study of the low- and high-temperature oxidation of cyclohexane

Identifieur interne : 000558 ( Main/Exploration ); précédent : 000557; suivant : 000559

An experimental and modeling study of the low- and high-temperature oxidation of cyclohexane

Auteurs : Zeynep Serinyel [France] ; Olivier Herbinet [France] ; Ophélie Frottier [France] ; Patricia Dirrenberger [France] ; Valérie Warth [France] ; Pierre Alexandre Glaude [France] ; Frédérique Battin-Leclerc [France]

Source :

RBID : Hal:hal-00853804

English descriptors

mix :
- -stirred reactor, Cyclohexane, Laminar burning velocity, Low-temperature oxidation.

Abstract

The experimental study of the oxidation of cyclohexane has been performed in a jet-stirred reactor at temperatures ranging from 500 to 1100 K (low- and intermediate temperature zones including the negative temperature-coefficient area), at a residence time of 2 s and for dilute mixtures with equivalence ratios of 0.5, 1, and 2. Experiments were carried out at quasi-atmospheric pressure (1.07 bar). The fuel and reaction product mole fractions were measured using online gas chromatography. A total of 34 reaction products have been detected and quantified in this study. Typical reaction products formed in the low-temperature oxidation of cyclohexane include cyclic ethers (1,2 epoxycyclohexane and 1,4-epoxycyclohexane), 5-hexenal (formed from the rapid decomposition of 1,3-epoxycyclohexane), cyclohexanone, and cyclohexene, as well as benzene and phenol. Cyclohexane displays high low-temperature reactivity with well-marked negative temperature-coefficient (NTC) behavior at equivalence ratios 0.5 and 1. The fuel-rich system (ϕ = 2) is much less reactive in the same region and exhibits no NTC. To the best of our knowledge, this is the first jet-stirred reactor study to report NTC in cyclohexane oxidation. Laminar burning velocities were also measured by the heated burner method at initial gas temperatures of 298, 358, and 398 K and at 1 atm. The laminar burning velocity values peak at ϕ = 1.1 and are measured as 40 and 63.1 cm/s for Ti = 298 and 398 K, respectively. An updated detailed chemical kinetic model including low temperature pathways was used to simulate the present (jet-stirred reactor and laminar burning velocity) and literature experimental (laminar burning velocity, rapid compression machine, and shock tube ignition delay times) data. Reasonable agreement is observed with most of the products observed in our reactor, as well as the literature experimental data considered in this paper.

Url:

https://hal.archives-ouvertes.fr/hal-00853804

DOI: 10.1016/j.combustflame.2013.05.016

Affiliations:

Links toward previous steps (curation, corpus...)

to stream Hal, to step Corpus: 000097
to stream Hal, to step Curation: 000097
to stream Hal, to step Checkpoint: 000538
to stream Main, to step Merge: 000594
to stream Main, to step Curation: 000558

Le document en format XML

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<author><name sortKey="Alexandre Glaude, Pierre" sort="Alexandre Glaude, Pierre" uniqKey="Alexandre Glaude P" first="Pierre" last="Alexandre Glaude">Pierre Alexandre Glaude</name>
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<country>France</country>
<placeName><settlement type="city">Nancy</settlement>
<settlement type="city">Metz</settlement>
<region type="region" nuts="2">Grand Est</region>
<region type="old region" nuts="2">Lorraine (région)</region>
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<idno type="DOI">10.1016/j.combustflame.2013.05.016</idno>
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<profileDesc><textClass><keywords scheme="mix" xml:lang="en"><term>-stirred reactor</term>
<term>Cyclohexane</term>
<term>Laminar burning velocity</term>
<term>Low-temperature oxidation</term>
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<front><div type="abstract" xml:lang="en">The experimental study of the oxidation of cyclohexane has been performed in a jet-stirred reactor at temperatures ranging from 500 to 1100 K (low- and intermediate temperature zones including the negative temperature-coefficient area), at a residence time of 2 s and for dilute mixtures with equivalence ratios of 0.5, 1, and 2. Experiments were carried out at quasi-atmospheric pressure (1.07 bar). The fuel and reaction product mole fractions were measured using online gas chromatography. A total of 34 reaction products have been detected and quantified in this study. Typical reaction products formed in the low-temperature oxidation of cyclohexane include cyclic ethers (1,2 epoxycyclohexane and 1,4-epoxycyclohexane), 5-hexenal (formed from the rapid decomposition of 1,3-epoxycyclohexane), cyclohexanone, and cyclohexene, as well as benzene and phenol. Cyclohexane displays high low-temperature reactivity with well-marked negative temperature-coefficient (NTC) behavior at equivalence ratios 0.5 and 1. The fuel-rich system (ϕ = 2) is much less reactive in the same region and exhibits no NTC. To the best of our knowledge, this is the first jet-stirred reactor study to report NTC in cyclohexane oxidation. Laminar burning velocities were also measured by the heated burner method at initial gas temperatures of 298, 358, and 398 K and at 1 atm. The laminar burning velocity values peak at ϕ = 1.1 and are measured as 40 and 63.1 cm/s for Ti = 298 and 398 K, respectively. An updated detailed chemical kinetic model including low temperature pathways was used to simulate the present (jet-stirred reactor and laminar burning velocity) and literature experimental (laminar burning velocity, rapid compression machine, and shock tube ignition delay times) data. Reasonable agreement is observed with most of the products observed in our reactor, as well as the literature experimental data considered in this paper.</div>
</front>
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<affiliations><list><country><li>France</li>
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<li>Lorraine (région)</li>
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<tree><country name="France"><region name="Grand Est"><name sortKey="Serinyel, Zeynep" sort="Serinyel, Zeynep" uniqKey="Serinyel Z" first="Zeynep" last="Serinyel">Zeynep Serinyel</name>
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<name sortKey="Alexandre Glaude, Pierre" sort="Alexandre Glaude, Pierre" uniqKey="Alexandre Glaude P" first="Pierre" last="Alexandre Glaude">Pierre Alexandre Glaude</name>
<name sortKey="Battin Leclerc, Frederique" sort="Battin Leclerc, Frederique" uniqKey="Battin Leclerc F" first="Frédérique" last="Battin-Leclerc">Frédérique Battin-Leclerc</name>
<name sortKey="Dirrenberger, Patricia" sort="Dirrenberger, Patricia" uniqKey="Dirrenberger P" first="Patricia" last="Dirrenberger">Patricia Dirrenberger</name>
<name sortKey="Frottier, Ophelie" sort="Frottier, Ophelie" uniqKey="Frottier O" first="Ophélie" last="Frottier">Ophélie Frottier</name>
<name sortKey="Herbinet, Olivier" sort="Herbinet, Olivier" uniqKey="Herbinet O" first="Olivier" last="Herbinet">Olivier Herbinet</name>
<name sortKey="Warth, Valerie" sort="Warth, Valerie" uniqKey="Warth V" first="Valérie" last="Warth">Valérie Warth</name>
</country>
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An experimental and modeling study of the low- and high-temperature oxidation of cyclohexane

An experimental and modeling study of the low- and high-temperature oxidation of cyclohexane

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