LrgpV1, Main, Merge, bibRecord, 000090

Experimental Study of Tetrahydrofuran Oxidation and Ignition in Low-Temperature Conditions

Identifieur interne : 000090 ( Main/Merge ); précédent : 000089; suivant : 000091

Experimental Study of Tetrahydrofuran Oxidation and Ignition in Low-Temperature Conditions

Auteurs : Guillaume Vanhove [France] ; Yi Yu [Danemark] ; Mohamed A. Boumehdi [France] ; Ophélie Frottier [France] ; Olivier Herbinet [France] ; Pierre-Alexandre Glaude [France] ; Frédérique Battin-Leclerc [France]

Source :

Energy and Fuels [ 0887-0624 ] ; 2015-09.

RBID : Hal:hal-01266247

Abstract

The chemistry associated with low-temperature oxidation and ignition of tetrahydrofuran (THF) has been probed through experimental work in two distinct devices: a rapid compression machine (RCM) and a jet-stirred reactor (JSR). Ignition delays of stoichiometric THF/O-2/inert mixtures have been measured for pressures ranging from 0.5 to 1.0 MPa and core gas temperatures from 640 to 900 K. Two-stage ignition is visible up to 810 K, and the evolution of the ignition delay with the temperature shows a clear deviation from Arrhenius behavior between 680 and 750 K. Sampling of the reactive mixture during the ignition delay provided evidence of the formation of C-1-C-4 aldehydes and alkenes, a variety of oxygenated heterocycles, including oxirane, methyloxirane, oxetane, furan, both isomers of dihydrofuran, and 1,4-dioxene, as well as cyclopropanecarboxaldehyde and formic acid-2-propenyl ester. JSR experiments have been performed under pressure close to 1 atm, at temperatures from 500 to 1000 K, and at equivalence ratios from 0.5 to 2, with detailed analysis of the low-temperature intermediate products. Major products include carbon monoxide, carbon dioxide, C-1-C-2 hydrocarbons, and aldehydes, 1-butene, ethylene oxide, methylvinylether, acrolein, propanal, both isomers of dihydrofuran, furan, 2-butenal, cyclopropanecarboxaldehyde, 1,4-dioxene, and unsaturated dihydrofuranols. The obtained mole fraction profiles indicate a significant low-temperature reactivity of THF beginning at temperatures around 550 K, with a marked negative temperature coefficient zone. The results from both experimental devices are put in perspective and allow for the identification of the major formation pathways of the observed species.

Url:

https://hal.univ-lorraine.fr/hal-01266247

DOI: 10.1021/acs.energyfuels.5b01057

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Le document en format XML

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<author><name sortKey="Herbinet, Olivier" sort="Herbinet, Olivier" uniqKey="Herbinet O" first="Olivier" last="Herbinet">Olivier Herbinet</name>
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<author><name sortKey="Glaude, Pierre Alexandre" sort="Glaude, Pierre Alexandre" uniqKey="Glaude P" first="Pierre-Alexandre" last="Glaude">Pierre-Alexandre Glaude</name>
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<idno type="DOI">10.1021/acs.energyfuels.5b01057</idno>
<series><title level="j">Energy and Fuels</title>
<idno type="ISSN">0887-0624</idno>
<imprint><date type="datePub">2015-09</date>
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<front><div type="abstract" xml:lang="en">The chemistry associated with low-temperature oxidation and ignition of tetrahydrofuran (THF) has been probed through experimental work in two distinct devices: a rapid compression machine (RCM) and a jet-stirred reactor (JSR). Ignition delays of stoichiometric THF/O-2/inert mixtures have been measured for pressures ranging from 0.5 to 1.0 MPa and core gas temperatures from 640 to 900 K. Two-stage ignition is visible up to 810 K, and the evolution of the ignition delay with the temperature shows a clear deviation from Arrhenius behavior between 680 and 750 K. Sampling of the reactive mixture during the ignition delay provided evidence of the formation of C-1-C-4 aldehydes and alkenes, a variety of oxygenated heterocycles, including oxirane, methyloxirane, oxetane, furan, both isomers of dihydrofuran, and 1,4-dioxene, as well as cyclopropanecarboxaldehyde and formic acid-2-propenyl ester. JSR experiments have been performed under pressure close to 1 atm, at temperatures from 500 to 1000 K, and at equivalence ratios from 0.5 to 2, with detailed analysis of the low-temperature intermediate products. Major products include carbon monoxide, carbon dioxide, C-1-C-2 hydrocarbons, and aldehydes, 1-butene, ethylene oxide, methylvinylether, acrolein, propanal, both isomers of dihydrofuran, furan, 2-butenal, cyclopropanecarboxaldehyde, 1,4-dioxene, and unsaturated dihydrofuranols. The obtained mole fraction profiles indicate a significant low-temperature reactivity of THF beginning at temperatures around 550 K, with a marked negative temperature coefficient zone. The results from both experimental devices are put in perspective and allow for the identification of the major formation pathways of the observed species.</div>
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Experimental Study of Tetrahydrofuran Oxidation and Ignition in Low-Temperature Conditions

Experimental Study of Tetrahydrofuran Oxidation and Ignition in Low-Temperature Conditions

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