<?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-00594584</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="2026-05-11T01:37:56+02:00"/>
      </publicationStmt>
      <sourceDesc>
        <p part="N">HAL API Platform</p>
      </sourceDesc>
    </fileDesc>
  </teiHeader>
  <text>
    <body>
      <listBibl>
        <biblFull>
          <titleStmt>
            <title xml:lang="en">Degradation of PEO in the Solid State: A Theoretical Kinetic Model</title>
            <author role="aut">
              <persName>
                <forename type="first">Pascal</forename>
                <surname>de Sainte Claire</surname>
              </persName>
              <email type="md5">debd4861cc3671a20d583ac40f4648a8</email>
              <email type="domain">univ-bpclermont.fr</email>
              <idno type="idhal" notation="numeric">901463</idno>
              <idno type="halauthorid" notation="string">558694-901463</idno>
              <affiliation ref="#struct-899"/>
            </author>
            <editor role="depositor">
              <persName>
                <forename>Pascal</forename>
                <surname>De Sainte Claire</surname>
              </persName>
              <email type="md5">debd4861cc3671a20d583ac40f4648a8</email>
              <email type="domain">univ-bpclermont.fr</email>
            </editor>
          </titleStmt>
          <editionStmt>
            <edition n="v1" type="current">
              <date type="whenSubmitted">2011-05-20 11:48:41</date>
              <date type="whenModified">2024-04-11 13:08:12</date>
              <date type="whenReleased">2011-05-20 13:08:36</date>
              <date type="whenProduced">2009</date>
              <date type="whenEndEmbargoed">2011-05-20</date>
              <ref type="file" target="https://hal.science/hal-00594584v1/document">
                <date notBefore="2011-05-20"/>
              </ref>
              <ref type="file" subtype="greenPublisher" n="1" target="https://hal.science/hal-00594584v1/file/peo.pdf" id="file-594584-795679">
                <date notBefore="2011-05-20"/>
              </ref>
            </edition>
            <respStmt>
              <resp>contributor</resp>
              <name key="161478">
                <persName>
                  <forename>Pascal</forename>
                  <surname>De Sainte Claire</surname>
                </persName>
                <email type="md5">debd4861cc3671a20d583ac40f4648a8</email>
                <email type="domain">univ-bpclermont.fr</email>
              </name>
            </respStmt>
          </editionStmt>
          <publicationStmt>
            <distributor>CCSD</distributor>
            <idno type="halId">hal-00594584</idno>
            <idno type="halUri">https://hal.science/hal-00594584</idno>
            <idno type="halBibtex">desainteclaire:hal-00594584</idno>
            <idno type="halRefHtml">&lt;i&gt;Macromolecules&lt;/i&gt;, 2009, 42, pp.3469-3482</idno>
            <idno type="halRef">Macromolecules, 2009, 42, pp.3469-3482</idno>
            <availability status="restricted">
              <licence target="https://about.hal.science/hal-authorisation-v1/">HAL Authorization<ref corresp="#file-594584-795679"/></licence>
            </availability>
          </publicationStmt>
          <seriesStmt>
            <idno type="stamp" n="PRES_CLERMONT">Université de Clermont</idno>
            <idno type="stamp" n="CNRS">CNRS - Centre national de la recherche scientifique</idno>
            <idno type="stamp" n="UNIV-BPCLERMONT" corresp="PRES_CLERMONT">Université Blaise Pascal - Clermont-Ferrand II</idno>
            <idno type="stamp" n="ACL-SF" corresp="PRES_CLERMONT">ACL en Sciences fondamentales</idno>
            <idno type="stamp" n="TEST2-HALCNRS">TEST2-HALCNRS</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">Degradation of PEO in the Solid State: A Theoretical Kinetic Model</title>
                <author role="aut">
                  <persName>
                    <forename type="first">Pascal</forename>
                    <surname>de Sainte Claire</surname>
                  </persName>
                  <email type="md5">debd4861cc3671a20d583ac40f4648a8</email>
                  <email type="domain">univ-bpclermont.fr</email>
                  <idno type="idhal" notation="numeric">901463</idno>
                  <idno type="halauthorid" notation="string">558694-901463</idno>
                  <affiliation ref="#struct-899"/>
                </author>
              </analytic>
              <monogr>
                <idno type="halJournalId" status="VALID">16518</idno>
                <idno type="issn">0024-9297</idno>
                <idno type="eissn">1520-5835</idno>
                <title level="j">Macromolecules</title>
                <imprint>
                  <publisher>American Chemical Society</publisher>
                  <biblScope unit="volume">42</biblScope>
                  <biblScope unit="pp">3469-3482</biblScope>
                  <date type="datePub">2009</date>
                </imprint>
              </monogr>
            </biblStruct>
          </sourceDesc>
          <profileDesc>
            <langUsage>
              <language ident="en">English</language>
            </langUsage>
            <textClass>
              <classCode scheme="halDomain" n="chim.theo">Chemical Sciences/Theoretical and/or physical chemistry</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>A quant. kinetic model is described, which provides insights of the inner mechanisms that play a key role in the natural oxidative degrdn. (photoinduced and thermal) of a model polymer, polyethylene oxide (PEO). A set of key reactions is selected from ab initio data, theor. rate const. calcns., and exptl. rate consts. Exptl. results, i.e., induction times and quantities of carbonyl end-products, are accurately reproduced by this model. While this study grasps the complexity of the degrdn. mechanism, results depend mainly on the reactivity of peroxy radicals and that of hydroperoxide groups. Three pathways are available to the peroxy species, i.e., intermol. and γ-intramol. H-abstraction reactions, and the termination reaction. The competition between these processes is the driving force of the degrdn. mechanism. In thermo-oxidative conditions, the relative quantities of esters and formates depend strongly on four competitive hydroperoxide decompn. channels, i.e., the unimol., bimol., induced decompn. by hydroxyl radicals, and the hydroperoxide H-abstraction reaction. Many of the reactions studied participate also in polymer synthesis, pyrolysis or other degrdn. processes. The simple structure of the model polymer is representative of a wide range of polymer systems.</p>
            </abstract>
          </profileDesc>
        </biblFull>
      </listBibl>
    </body>
    <back>
      <listOrg type="structures">
        <org type="laboratory" xml:id="struct-899" status="OLD">
          <idno type="RNSR">199612300S</idno>
          <orgName>Photochimie moléculaire et macromoléculaire</orgName>
          <orgName type="acronym">PMM</orgName>
          <date type="start">1981-01-01</date>
          <date type="end">2011-12-31</date>
          <desc>
            <address>
              <addrLine>bat. Chimie 6 63177 AUBIERE CEDEX</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.univ-bpclermont.fr/LABOS/lpmm</ref>
          </desc>
          <listRelation>
            <relation active="#struct-205618" type="direct"/>
            <relation active="#struct-341038" type="direct"/>
            <relation name="UMR6505 / URA433" active="#struct-441569" type="direct"/>
          </listRelation>
        </org>
        <org type="institution" xml:id="struct-205618" status="OLD">
          <orgName>Université Blaise Pascal - Clermont-Ferrand 2</orgName>
          <orgName type="acronym">UBP</orgName>
          <date type="end">2016-12-31</date>
          <desc>
            <address>
              <addrLine>34, avenue Carnot - BP 185 / 63006 Clermont-Ferrand cedex</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.univ-bpclermont.fr/</ref>
          </desc>
        </org>
        <org type="institution" xml:id="struct-341038" status="VALID">
          <idno type="IdRef">232435103</idno>
          <idno type="ISNI">000000010626358X</idno>
          <idno type="ROR">https://ror.org/02cte4b68</idno>
          <orgName>Institut de Chimie - CNRS Chimie</orgName>
          <orgName type="acronym">INC-CNRS</orgName>
          <date type="start">2009-10-01</date>
          <desc>
            <address>
              <addrLine>CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE3 rue Michel-Ange75794 PARIS CEDEX 16 - France</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.cnrs.fr/inc</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>
      </listOrg>
    </back>
  </text>
</TEI>