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<title xml:lang="en">Products from the Oxidation of Linear Isomers of Hexene</title>
<author>
<name sortKey="Battin Leclerc, Frederique" sort="Battin Leclerc, Frederique" uniqKey="Battin Leclerc F" first="Frédérique" last="Battin-Leclerc">Frédérique Battin-Leclerc</name>
<affiliation>
<nlm:aff id="A1">Laboratoire Réactions et Génie des Procédés, Université de Lorraine, CNRS, ENSIC, BP 20451, 1 rue Grandville, 54000 Nancy, France</nlm:aff>
</affiliation>
</author>
<author>
<name sortKey="Rodriguez, Anne" sort="Rodriguez, Anne" uniqKey="Rodriguez A" first="Anne" last="Rodriguez">Anne Rodriguez</name>
<affiliation>
<nlm:aff id="A1">Laboratoire Réactions et Génie des Procédés, Université de Lorraine, CNRS, ENSIC, BP 20451, 1 rue Grandville, 54000 Nancy, France</nlm:aff>
</affiliation>
</author>
<author>
<name sortKey="Husson, Benoit" sort="Husson, Benoit" uniqKey="Husson B" first="Benoit" last="Husson">Benoit Husson</name>
<affiliation>
<nlm:aff id="A1">Laboratoire Réactions et Génie des Procédés, Université de Lorraine, CNRS, ENSIC, BP 20451, 1 rue Grandville, 54000 Nancy, France</nlm:aff>
</affiliation>
</author>
<author>
<name sortKey="Herbinet, Olivier" sort="Herbinet, Olivier" uniqKey="Herbinet O" first="Olivier" last="Herbinet">Olivier Herbinet</name>
<affiliation>
<nlm:aff id="A1">Laboratoire Réactions et Génie des Procédés, Université de Lorraine, CNRS, ENSIC, BP 20451, 1 rue Grandville, 54000 Nancy, France</nlm:aff>
</affiliation>
</author>
<author>
<name sortKey="Glaude, Pierre Alexandre" sort="Glaude, Pierre Alexandre" uniqKey="Glaude P" first="Pierre-Alexandre" last="Glaude">Pierre-Alexandre Glaude</name>
<affiliation>
<nlm:aff id="A1">Laboratoire Réactions et Génie des Procédés, Université de Lorraine, CNRS, ENSIC, BP 20451, 1 rue Grandville, 54000 Nancy, France</nlm:aff>
</affiliation>
</author>
<author>
<name sortKey="Wang, Zhandong" sort="Wang, Zhandong" uniqKey="Wang Z" first="Zhandong" last="Wang">Zhandong Wang</name>
<affiliation>
<nlm:aff id="A2">National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, China</nlm:aff>
</affiliation>
</author>
<author>
<name sortKey="Cheng, Zhanjun" sort="Cheng, Zhanjun" uniqKey="Cheng Z" first="Zhanjun" last="Cheng">Zhanjun Cheng</name>
<affiliation>
<nlm:aff id="A2">National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, China</nlm:aff>
</affiliation>
</author>
<author>
<name sortKey="Qi, Fei" sort="Qi, Fei" uniqKey="Qi F" first="Fei" last="Qi">Fei Qi</name>
<affiliation>
<nlm:aff id="A2">National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, China</nlm:aff>
</affiliation>
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<idno type="pmid">24400665</idno>
<idno type="pmc">3908878</idno>
<idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3908878</idno>
<idno type="RBID">PMC:3908878</idno>
<idno type="doi">10.1021/jp4107102</idno>
<date when="2014">2014</date>
<idno type="wicri:Area/Pmc/Corpus">000165</idno>
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<title xml:lang="en" level="a" type="main">Products from the Oxidation of Linear Isomers of Hexene</title>
<author>
<name sortKey="Battin Leclerc, Frederique" sort="Battin Leclerc, Frederique" uniqKey="Battin Leclerc F" first="Frédérique" last="Battin-Leclerc">Frédérique Battin-Leclerc</name>
<affiliation>
<nlm:aff id="A1">Laboratoire Réactions et Génie des Procédés, Université de Lorraine, CNRS, ENSIC, BP 20451, 1 rue Grandville, 54000 Nancy, France</nlm:aff>
</affiliation>
</author>
<author>
<name sortKey="Rodriguez, Anne" sort="Rodriguez, Anne" uniqKey="Rodriguez A" first="Anne" last="Rodriguez">Anne Rodriguez</name>
<affiliation>
<nlm:aff id="A1">Laboratoire Réactions et Génie des Procédés, Université de Lorraine, CNRS, ENSIC, BP 20451, 1 rue Grandville, 54000 Nancy, France</nlm:aff>
</affiliation>
</author>
<author>
<name sortKey="Husson, Benoit" sort="Husson, Benoit" uniqKey="Husson B" first="Benoit" last="Husson">Benoit Husson</name>
<affiliation>
<nlm:aff id="A1">Laboratoire Réactions et Génie des Procédés, Université de Lorraine, CNRS, ENSIC, BP 20451, 1 rue Grandville, 54000 Nancy, France</nlm:aff>
</affiliation>
</author>
<author>
<name sortKey="Herbinet, Olivier" sort="Herbinet, Olivier" uniqKey="Herbinet O" first="Olivier" last="Herbinet">Olivier Herbinet</name>
<affiliation>
<nlm:aff id="A1">Laboratoire Réactions et Génie des Procédés, Université de Lorraine, CNRS, ENSIC, BP 20451, 1 rue Grandville, 54000 Nancy, France</nlm:aff>
</affiliation>
</author>
<author>
<name sortKey="Glaude, Pierre Alexandre" sort="Glaude, Pierre Alexandre" uniqKey="Glaude P" first="Pierre-Alexandre" last="Glaude">Pierre-Alexandre Glaude</name>
<affiliation>
<nlm:aff id="A1">Laboratoire Réactions et Génie des Procédés, Université de Lorraine, CNRS, ENSIC, BP 20451, 1 rue Grandville, 54000 Nancy, France</nlm:aff>
</affiliation>
</author>
<author>
<name sortKey="Wang, Zhandong" sort="Wang, Zhandong" uniqKey="Wang Z" first="Zhandong" last="Wang">Zhandong Wang</name>
<affiliation>
<nlm:aff id="A2">National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, China</nlm:aff>
</affiliation>
</author>
<author>
<name sortKey="Cheng, Zhanjun" sort="Cheng, Zhanjun" uniqKey="Cheng Z" first="Zhanjun" last="Cheng">Zhanjun Cheng</name>
<affiliation>
<nlm:aff id="A2">National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, China</nlm:aff>
</affiliation>
</author>
<author>
<name sortKey="Qi, Fei" sort="Qi, Fei" uniqKey="Qi F" first="Fei" last="Qi">Fei Qi</name>
<affiliation>
<nlm:aff id="A2">National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, China</nlm:aff>
</affiliation>
</author>
</analytic>
<series>
<title level="j">The journal of physical chemistry. A</title>
<idno type="ISSN">1089-5639</idno>
<idno type="eISSN">1520-5215</idno>
<imprint>
<date when="2014">2014</date>
</imprint>
</series>
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<front>
<div type="abstract" xml:lang="en">
<p id="P1">The experimental study of the oxidation of the three linear isomers of hexene was performed in a quartz isothermal jet-stirred reactor (JSR) at temperatures ranging from 500 to 1100 K including the negative temperature coefficient (NTC) zone, at quasi-atmospheric pressure (1.07 bar), at a residence time of 2 s and with dilute stoichiometric mixtures. The fuel and reaction product mole fractions were measured using online gas chromatography. In the case of 1-hexene, the JSR has also been coupled through a molecular-beam sampling system to a reflectron time-of-flight mass spectrometer combined with tunable synchrotron vacuum ultraviolet photoionization.</p>
<p id="P2">A difference of reactivity between the three fuels which varies with the temperature range has been observed and is discussed according to the changes in the possible reaction pathways when the double bond is displaced. An enhanced importance of the reactions via the Waddington mechanism and of those of allylic radicals with HO
<sub>2</sub>
radicals can be noted for 2- and 3-hexenes compared to 1-hexene.</p>
</div>
</front>
</TEI>
<pmc article-type="research-article">
<pmc-comment>The publisher of this article does not allow downloading of the full text in XML form.</pmc-comment>
<pmc-dir>properties manuscript</pmc-dir>
<front>
<journal-meta>
<journal-id journal-id-type="nlm-journal-id">9890903</journal-id>
<journal-id journal-id-type="pubmed-jr-id">22920</journal-id>
<journal-id journal-id-type="nlm-ta">J Phys Chem A</journal-id>
<journal-id journal-id-type="iso-abbrev">J Phys Chem A</journal-id>
<journal-title-group>
<journal-title>The journal of physical chemistry. A</journal-title>
</journal-title-group>
<issn pub-type="ppub">1089-5639</issn>
<issn pub-type="epub">1520-5215</issn>
</journal-meta>
<article-meta>
<article-id pub-id-type="pmid">24400665</article-id>
<article-id pub-id-type="pmc">3908878</article-id>
<article-id pub-id-type="doi">10.1021/jp4107102</article-id>
<article-id pub-id-type="manuscript">EMS56210</article-id>
<article-categories>
<subj-group subj-group-type="heading">
<subject>Article</subject>
</subj-group>
</article-categories>
<title-group>
<article-title>Products from the Oxidation of Linear Isomers of Hexene</article-title>
</title-group>
<contrib-group>
<contrib contrib-type="author">
<name>
<surname>Battin-Leclerc</surname>
<given-names>Frédérique</given-names>
</name>
<xref ref-type="aff" rid="A1">1</xref>
<xref ref-type="corresp" rid="CR1">*</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Rodriguez</surname>
<given-names>Anne</given-names>
</name>
<xref ref-type="aff" rid="A1">1</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Husson</surname>
<given-names>Benoit</given-names>
</name>
<xref ref-type="aff" rid="A1">1</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Herbinet</surname>
<given-names>Olivier</given-names>
</name>
<xref ref-type="aff" rid="A1">1</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Glaude</surname>
<given-names>Pierre-Alexandre</given-names>
</name>
<xref ref-type="aff" rid="A1">1</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Wang</surname>
<given-names>Zhandong</given-names>
</name>
<xref ref-type="aff" rid="A2">2</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Cheng</surname>
<given-names>Zhanjun</given-names>
</name>
<xref ref-type="aff" rid="A2">2</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Qi</surname>
<given-names>Fei</given-names>
</name>
<xref ref-type="aff" rid="A2">2</xref>
</contrib>
</contrib-group>
<aff id="A1">
<label>1</label>
Laboratoire Réactions et Génie des Procédés, Université de Lorraine, CNRS, ENSIC, BP 20451, 1 rue Grandville, 54000 Nancy, France</aff>
<aff id="A2">
<label>2</label>
National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, China</aff>
<author-notes>
<corresp id="CR1">
<label>*</label>
<email>Frederique.Battin-Leclerc@univ-lorraine.fr</email>
, Tel : 33 3 83175125, Fax : 33 3 83378120</corresp>
</author-notes>
<pub-date pub-type="nihms-submitted">
<day>6</day>
<month>1</month>
<year>2014</year>
</pub-date>
<pub-date pub-type="epub">
<day>14</day>
<month>1</month>
<year>2014</year>
</pub-date>
<pub-date pub-type="ppub">
<day>30</day>
<month>1</month>
<year>2014</year>
</pub-date>
<pub-date pub-type="pmc-release">
<day>31</day>
<month>1</month>
<year>2014</year>
</pub-date>
<volume>118</volume>
<issue>4</issue>
<fpage>673</fpage>
<lpage>683</lpage>
<pmc-comment>elocation-id from pubmed: 10.1021/jp4107102</pmc-comment>
<abstract>
<p id="P1">The experimental study of the oxidation of the three linear isomers of hexene was performed in a quartz isothermal jet-stirred reactor (JSR) at temperatures ranging from 500 to 1100 K including the negative temperature coefficient (NTC) zone, at quasi-atmospheric pressure (1.07 bar), at a residence time of 2 s and with dilute stoichiometric mixtures. The fuel and reaction product mole fractions were measured using online gas chromatography. In the case of 1-hexene, the JSR has also been coupled through a molecular-beam sampling system to a reflectron time-of-flight mass spectrometer combined with tunable synchrotron vacuum ultraviolet photoionization.</p>
<p id="P2">A difference of reactivity between the three fuels which varies with the temperature range has been observed and is discussed according to the changes in the possible reaction pathways when the double bond is displaced. An enhanced importance of the reactions via the Waddington mechanism and of those of allylic radicals with HO
<sub>2</sub>
radicals can be noted for 2- and 3-hexenes compared to 1-hexene.</p>
</abstract>
<kwd-group>
<kwd>Jet-stirred reactor</kwd>
<kwd>linear isomers of hexene</kwd>
<kwd>low-temperature oxidation</kwd>
<kwd>alkene oxidation</kwd>
<kwd>hydroxycyclic ethers</kwd>
<kwd>unsaturated hydroperoxides</kwd>
</kwd-group>
<funding-group>
<award-group>
<funding-source country="International">European Research Council : </funding-source>
<award-id>227669 || ERC_</award-id>
</award-group>
</funding-group>
</article-meta>
</front>
</pmc>
</record>

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