<?xml version="1.0" encoding="utf-8"?>
<TEI xmlns="http://www.tei-c.org/ns/1.0" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:hal="http://hal.archives-ouvertes.fr/" xmlns:gml="http://www.opengis.net/gml/3.3/" xmlns:gmlce="http://www.opengis.net/gml/3.3/ce" version="1.1" xsi:schemaLocation="http://www.tei-c.org/ns/1.0 http://api.archives-ouvertes.fr/documents/aofr-sword.xsd">
  <teiHeader>
    <fileDesc>
      <titleStmt>
        <title>HAL TEI export of hal-02020267</title>
      </titleStmt>
      <publicationStmt>
        <distributor>CCSD</distributor>
        <availability status="restricted">
          <licence target="https://creativecommons.org/publicdomain/zero/1.0/">CC0 1.0 - Universal</licence>
        </availability>
        <date when="2026-05-03T01:43:24+02:00"/>
      </publicationStmt>
      <sourceDesc>
        <p part="N">HAL API Platform</p>
      </sourceDesc>
    </fileDesc>
  </teiHeader>
  <text>
    <body>
      <listBibl>
        <biblFull>
          <titleStmt>
            <title xml:lang="en">Experimental and Modeling Study of the Kinetics of Oxidation of Simple Biodiesel−Biobutanol Surrogates: Methyl Octanoate−Butanol Mixtures</title>
            <author role="aut">
              <persName>
                <forename type="first">C.</forename>
                <surname>Togbé</surname>
              </persName>
              <idno type="halauthorid">1520466-0</idno>
              <affiliation ref="#struct-474628"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">G.</forename>
                <surname>Dayma</surname>
              </persName>
              <email type="md5">25235dab28d06e4bf2bfb0f10aba76b2</email>
              <email type="domain">cnrs-orleans.fr</email>
              <idno type="idhal" notation="string">guillaume-dayma</idno>
              <idno type="idhal" notation="numeric">172584</idno>
              <idno type="halauthorid" notation="string">968964-172584</idno>
              <idno type="ORCID">https://orcid.org/0000-0003-2761-657X</idno>
              <idno type="IDREF">https://www.idref.fr/077305663</idno>
              <idno type="GOOGLE SCHOLAR">https://scholar.google.fr/citations?user=cgpHkkUAAAAJ</idno>
              <idno type="VIAF">https://viaf.org/viaf/194937321</idno>
              <idno type="ISNI">http://isni.org/isni/0000000357213739</idno>
              <affiliation ref="#struct-474628"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">A.</forename>
                <surname>Mzé-Ahmed</surname>
              </persName>
              <idno type="halauthorid">1523941-0</idno>
              <affiliation ref="#struct-474628"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">P.</forename>
                <surname>Dagaut</surname>
              </persName>
              <email type="md5">4a3a90a2e9dc63c8b48a61398fa47c00</email>
              <email type="domain">cnrs-orleans.fr</email>
              <idno type="idhal" notation="string">philippe-dagaut</idno>
              <idno type="idhal" notation="numeric">172480</idno>
              <idno type="halauthorid" notation="string">968965-172480</idno>
              <idno type="RESEARCHERID">http://www.researcherid.com/rid/C-1709-2008</idno>
              <idno type="ORCID">https://orcid.org/0000-0003-4825-3288</idno>
              <idno type="IDREF">https://www.idref.fr/030947596</idno>
              <idno type="RESEARCHERID">http://www.researcherid.com/rid/http://www.researcherid.com/rid/C-1709-2008</idno>
              <idno type="ORCID">https://orcid.org/0000-0001-5789-7208</idno>
              <affiliation ref="#struct-474628"/>
            </author>
            <editor role="depositor">
              <persName>
                <forename>PHILIPPE</forename>
                <surname>DAGAUT</surname>
              </persName>
              <email type="md5">4a3a90a2e9dc63c8b48a61398fa47c00</email>
              <email type="domain">cnrs-orleans.fr</email>
            </editor>
          </titleStmt>
          <editionStmt>
            <edition n="v1" type="current">
              <date type="whenSubmitted">2019-02-15 10:26:35</date>
              <date type="whenModified">2024-04-11 13:26:02</date>
              <date type="whenReleased">2019-02-15 10:26:35</date>
              <date type="whenProduced">2010-07-15</date>
            </edition>
            <respStmt>
              <resp>contributor</resp>
              <name key="698899">
                <persName>
                  <forename>PHILIPPE</forename>
                  <surname>DAGAUT</surname>
                </persName>
                <email type="md5">4a3a90a2e9dc63c8b48a61398fa47c00</email>
                <email type="domain">cnrs-orleans.fr</email>
              </name>
            </respStmt>
          </editionStmt>
          <publicationStmt>
            <distributor>CCSD</distributor>
            <idno type="halId">hal-02020267</idno>
            <idno type="halUri">https://hal.science/hal-02020267</idno>
            <idno type="halBibtex">togbe:hal-02020267</idno>
            <idno type="halRefHtml">&lt;i&gt;Energy &amp; Fuels&lt;/i&gt;, 2010, 24 (7), pp.3906-3916. &lt;a target="_blank" href="https://dx.doi.org/10.1021/ef100484q"&gt;&amp;#x27E8;10.1021/ef100484q&amp;#x27E9;&lt;/a&gt;</idno>
            <idno type="halRef">Energy &amp; Fuels, 2010, 24 (7), pp.3906-3916. &amp;#x27E8;10.1021/ef100484q&amp;#x27E9;</idno>
            <availability status="restricted"/>
          </publicationStmt>
          <seriesStmt>
            <idno type="stamp" n="CNRS">CNRS - Centre national de la recherche scientifique</idno>
            <idno type="stamp" n="UNIV-ORLEANS">Université d'Orléans</idno>
            <idno type="stamp" n="CNRS_ICARE" corresp="UNIV-ORLEANS">Institut de Combustion Aérothermique Réactivité et Environnement</idno>
          </seriesStmt>
          <notesStmt>
            <note type="audience" n="2">International</note>
            <note type="popular" n="0">No</note>
            <note type="peer" n="1">Yes</note>
          </notesStmt>
          <sourceDesc>
            <biblStruct>
              <analytic>
                <title xml:lang="en">Experimental and Modeling Study of the Kinetics of Oxidation of Simple Biodiesel−Biobutanol Surrogates: Methyl Octanoate−Butanol Mixtures</title>
                <author role="aut">
                  <persName>
                    <forename type="first">C.</forename>
                    <surname>Togbé</surname>
                  </persName>
                  <idno type="halauthorid">1520466-0</idno>
                  <affiliation ref="#struct-474628"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">G.</forename>
                    <surname>Dayma</surname>
                  </persName>
                  <email type="md5">25235dab28d06e4bf2bfb0f10aba76b2</email>
                  <email type="domain">cnrs-orleans.fr</email>
                  <idno type="idhal" notation="string">guillaume-dayma</idno>
                  <idno type="idhal" notation="numeric">172584</idno>
                  <idno type="halauthorid" notation="string">968964-172584</idno>
                  <idno type="ORCID">https://orcid.org/0000-0003-2761-657X</idno>
                  <idno type="IDREF">https://www.idref.fr/077305663</idno>
                  <idno type="GOOGLE SCHOLAR">https://scholar.google.fr/citations?user=cgpHkkUAAAAJ</idno>
                  <idno type="VIAF">https://viaf.org/viaf/194937321</idno>
                  <idno type="ISNI">http://isni.org/isni/0000000357213739</idno>
                  <affiliation ref="#struct-474628"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">A.</forename>
                    <surname>Mzé-Ahmed</surname>
                  </persName>
                  <idno type="halauthorid">1523941-0</idno>
                  <affiliation ref="#struct-474628"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">P.</forename>
                    <surname>Dagaut</surname>
                  </persName>
                  <email type="md5">4a3a90a2e9dc63c8b48a61398fa47c00</email>
                  <email type="domain">cnrs-orleans.fr</email>
                  <idno type="idhal" notation="string">philippe-dagaut</idno>
                  <idno type="idhal" notation="numeric">172480</idno>
                  <idno type="halauthorid" notation="string">968965-172480</idno>
                  <idno type="RESEARCHERID">http://www.researcherid.com/rid/C-1709-2008</idno>
                  <idno type="ORCID">https://orcid.org/0000-0003-4825-3288</idno>
                  <idno type="IDREF">https://www.idref.fr/030947596</idno>
                  <idno type="RESEARCHERID">http://www.researcherid.com/rid/http://www.researcherid.com/rid/C-1709-2008</idno>
                  <idno type="ORCID">https://orcid.org/0000-0001-5789-7208</idno>
                  <affiliation ref="#struct-474628"/>
                </author>
              </analytic>
              <monogr>
                <idno type="halJournalId" status="VALID">4619</idno>
                <idno type="issn">0887-0624</idno>
                <idno type="eissn">1520-5029</idno>
                <title level="j">Energy &amp; Fuels</title>
                <imprint>
                  <publisher>American Chemical Society</publisher>
                  <biblScope unit="volume">24</biblScope>
                  <biblScope unit="issue">7</biblScope>
                  <biblScope unit="pp">3906-3916</biblScope>
                  <date type="datePub">2010-07-15</date>
                </imprint>
              </monogr>
              <idno type="doi">10.1021/ef100484q</idno>
            </biblStruct>
          </sourceDesc>
          <profileDesc>
            <langUsage>
              <language ident="en">English</language>
            </langUsage>
            <textClass>
              <keywords scheme="author">
                <term xml:lang="en">Biodiesel</term>
                <term xml:lang="en">Oxidation -mechanism</term>
                <term xml:lang="en">Jet-stirred reactor</term>
                <term xml:lang="en">Kinetic modeling</term>
                <term xml:lang="en">Butanol</term>
                <term xml:lang="en">methyl octanoate</term>
              </keywords>
              <classCode scheme="halDomain" n="chim.theo">Chemical Sciences/Theoretical and/or physical chemistry</classCode>
              <classCode scheme="halDomain" n="spi.fluid">Engineering Sciences [physics]/Reactive fluid environment</classCode>
              <classCode scheme="halTypology" n="ART">Journal articles</classCode>
              <classCode scheme="halOldTypology" n="ART">Journal articles</classCode>
              <classCode scheme="halTreeTypology" n="ART">Journal articles</classCode>
            </textClass>
            <abstract xml:lang="en">
              <p>There is growing interest for using butanol−biodiesel fuel blends in diesel engines, but neither kinetic data nor kinetic models were available for simulating their combustion. Therefore, the kinetics of oxidation of a biodiesel−biobutanol surrogate fuel (methyl octanoate−1-butanol) was studied experimentally in a jet-stirred reactor (JSR) at 10 atm, at a constant mean residence time of 0.7 s, over the temperature range 560−1190 K, and for several equivalence ratios ranging from 0.5 to 2. Concentration profiles of reactants, stable intermediates, and final products were determined as a function of temperature, by low-pressure sonic probe sampling followed by online Fourier transform infrared spectrometry (FTIR), and off-line gas chromatography (GC) analyses with thermal conductivity (TCD), flame ionization (FID), and mass spectrometry (MS) detection. The oxidation of this fuel in the aforementioned conditions was modeled using a detailed chemical kinetic reaction mechanism consisting of 4545 reactions and 1098 species. The proposed kinetic reaction mechanism generally yielded a good representation of the kinetics of oxidation of this biodiesel−biobutanol surrogate under the present conditions. The kinetic modeling was used to delineate the reactions enhancing the low-temperature oxidation of 1-butanol, important for diesel and HCCI engine applications. The present results also indicated that the methyl octanoate−1-butanol mixtures are less prone to emitting acetaldehyde than the corresponding methyl octanoate−ethanol mixtures oxidized in a JSR.</p>
            </abstract>
          </profileDesc>
        </biblFull>
      </listBibl>
    </body>
    <back>
      <listOrg type="structures">
        <org type="laboratory" xml:id="struct-474628" status="VALID">
          <idno type="IdRef">130578657</idno>
          <idno type="ISNI">0000000092583805</idno>
          <idno type="RNSR">200817616T</idno>
          <idno type="ROR">https://ror.org/03txr3336</idno>
          <idno type="Wikidata">Q30261464</idno>
          <orgName>Institut de Combustion, Aérothermique, Réactivité et Environnement</orgName>
          <orgName type="acronym">ICARE</orgName>
          <date type="start">2007-01-01</date>
          <desc>
            <address>
              <addrLine>1C, avenue de la Recherche Scientifique, CS 50060, 45071 - Orléans Cedex 2</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">https://icare.cnrs.fr/</ref>
          </desc>
          <listRelation>
            <relation name="UPR 3021" active="#struct-300297" type="direct"/>
            <relation name="UPR3021" active="#struct-441569" type="direct"/>
            <relation name="UPR3021" active="#struct-474627" type="direct"/>
          </listRelation>
        </org>
        <org type="institution" xml:id="struct-300297" status="VALID">
          <idno type="IdRef">026402971</idno>
          <idno type="ISNI">0000 0001 2158 1666</idno>
          <idno type="ROR">https://ror.org/014zrew76</idno>
          <orgName>Université d'Orléans</orgName>
          <orgName type="acronym">UO</orgName>
          <desc>
            <address>
              <addrLine>Château de la Source - Avenue du Parc Floral - BP 6749 - 45067 Orléans cedex 2</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.univ-orleans.fr/</ref>
          </desc>
        </org>
        <org type="regroupinstitution" xml:id="struct-441569" status="VALID">
          <idno type="IdRef">02636817X</idno>
          <idno type="ISNI">0000000122597504</idno>
          <idno type="ROR">https://ror.org/02feahw73</idno>
          <orgName>Centre National de la Recherche Scientifique</orgName>
          <orgName type="acronym">CNRS</orgName>
          <date type="start">1939-10-19</date>
          <desc>
            <address>
              <country key="FR"/>
            </address>
            <ref type="url">https://www.cnrs.fr/</ref>
          </desc>
        </org>
        <org type="institution" xml:id="struct-474627" status="VALID">
          <idno type="IdRef">232435111</idno>
          <idno type="ISNI">0000000405066498</idno>
          <idno type="ROR">https://ror.org/00s19x989</idno>
          <orgName>Institut des Sciences de l'Ingénierie et des Systèmes - CNRS Ingénierie</orgName>
          <orgName type="acronym">INSIS - CNRS</orgName>
          <date type="start">2009-11-01</date>
          <desc>
            <address>
              <addrLine>3 rue Michel-Ange, 75794, Paris cedex 16, France</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">https://www.insis.cnrs.fr/fr</ref>
          </desc>
        </org>
      </listOrg>
    </back>
  </text>
</TEI>