<?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-01530784</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="2026-05-11T05:39:20+02:00"/>
      </publicationStmt>
      <sourceDesc>
        <p part="N">HAL API Platform</p>
      </sourceDesc>
    </fileDesc>
  </teiHeader>
  <text>
    <body>
      <listBibl>
        <biblFull>
          <titleStmt>
            <title xml:lang="en">Predicting diffusion coefficients of chemicals in and through packaging materials</title>
            <author role="aut">
              <persName>
                <forename type="first">Xiaoyi</forename>
                <surname>Fang</surname>
              </persName>
              <idno type="halauthorid">904684-0</idno>
              <affiliation ref="#struct-549820"/>
            </author>
            <author role="crp">
              <persName>
                <forename type="first">Olivier</forename>
                <surname>Vitrac</surname>
              </persName>
              <email type="md5">3b111db41953937bfb89811c7ffd7c6f</email>
              <email type="domain">agroparistech.fr</email>
              <idno type="idhal" notation="string">olivier-vitrac</idno>
              <idno type="idhal" notation="numeric">734895</idno>
              <idno type="halauthorid" notation="string">12362-734895</idno>
              <idno type="RESEARCHERID">http://www.researcherid.com/rid/J-5164-2014</idno>
              <idno type="IDREF">https://www.idref.fr/13249907X</idno>
              <idno type="ORCID">https://orcid.org/0000-0001-7787-5962</idno>
              <idno type="GOOGLE SCHOLAR">https://scholar.google.com/citations?user=LuqeFG4AAAAJ&amp;hl=en</idno>
              <idno type="IDPINRA">ovitrac</idno>
              <idno type="RESEARCHERID">http://www.researcherid.com/rid/http://www.researcherid.com/rid/J-5164-2014</idno>
              <affiliation ref="#struct-549820"/>
            </author>
            <editor role="depositor">
              <persName>
                <forename>Archive Ouverte</forename>
                <surname>ProdInra</surname>
              </persName>
              <email type="md5">9e5ed7d56b52b3d4383123b1ffb42236</email>
              <email type="domain">inrae.fr</email>
            </editor>
          </titleStmt>
          <editionStmt>
            <edition n="v1" type="current">
              <date type="whenSubmitted">2017-05-31 20:36:12</date>
              <date type="whenModified">2025-08-12 16:07:51</date>
              <date type="whenReleased">2017-05-31 20:36:12</date>
              <date type="whenProduced">2017</date>
              <fs>
                <f name="inra_publicVise_local" notation="string" n="SC">
                  <string>inra_publicVise_local_SC</string>
                </f>
              </fs>
            </edition>
            <respStmt>
              <resp>contributor</resp>
              <name key="132775">
                <persName>
                  <forename>Archive Ouverte</forename>
                  <surname>ProdInra</surname>
                </persName>
                <email type="md5">9e5ed7d56b52b3d4383123b1ffb42236</email>
                <email type="domain">inrae.fr</email>
              </name>
            </respStmt>
          </editionStmt>
          <publicationStmt>
            <distributor>CCSD</distributor>
            <idno type="halId">hal-01530784</idno>
            <idno type="halUri">https://hal.science/hal-01530784</idno>
            <idno type="halBibtex">fang:hal-01530784</idno>
            <idno type="halRefHtml">&lt;i&gt;Critical Reviews in Food Science and Nutrition&lt;/i&gt;, 2017, 57 (2), pp.275-312. &lt;a target="_blank" href="https://dx.doi.org/10.1080/10408398.2013.849654"&gt;&amp;#x27E8;10.1080/10408398.2013.849654&amp;#x27E9;&lt;/a&gt;</idno>
            <idno type="halRef">Critical Reviews in Food Science and Nutrition, 2017, 57 (2), pp.275-312. &amp;#x27E8;10.1080/10408398.2013.849654&amp;#x27E9;</idno>
            <availability status="restricted"/>
          </publicationStmt>
          <seriesStmt>
            <idno type="stamp" n="AGROPARISTECH">AgroParisTech</idno>
            <idno type="stamp" n="INRA">INRA - Institut national de la recherche agronomique</idno>
            <idno type="stamp" n="GENIAL">GENIAL</idno>
            <idno type="stamp" n="AGREENIUM">Archive ouverte en agrobiosciences</idno>
            <idno type="stamp" n="INRAE">Institut National de Recherche en Agriculture, Alimentation et Environnement</idno>
            <idno type="stamp" n="GS-BIOSPHERA">Graduate School Biologie, Société, Ecologie &amp; Environnement, Ressources, Agriculture &amp; Alimentation</idno>
            <idno type="stamp" n="APT_TEST">APT_TEST</idno>
          </seriesStmt>
          <notesStmt>
            <note type="audience" n="1">Not set</note>
            <note type="popular" n="0">No</note>
            <note type="peer" n="1">Yes</note>
          </notesStmt>
          <sourceDesc>
            <biblStruct>
              <analytic>
                <title xml:lang="en">Predicting diffusion coefficients of chemicals in and through packaging materials</title>
                <author role="aut">
                  <persName>
                    <forename type="first">Xiaoyi</forename>
                    <surname>Fang</surname>
                  </persName>
                  <idno type="halauthorid">904684-0</idno>
                  <affiliation ref="#struct-549820"/>
                </author>
                <author role="crp">
                  <persName>
                    <forename type="first">Olivier</forename>
                    <surname>Vitrac</surname>
                  </persName>
                  <email type="md5">3b111db41953937bfb89811c7ffd7c6f</email>
                  <email type="domain">agroparistech.fr</email>
                  <idno type="idhal" notation="string">olivier-vitrac</idno>
                  <idno type="idhal" notation="numeric">734895</idno>
                  <idno type="halauthorid" notation="string">12362-734895</idno>
                  <idno type="RESEARCHERID">http://www.researcherid.com/rid/J-5164-2014</idno>
                  <idno type="IDREF">https://www.idref.fr/13249907X</idno>
                  <idno type="ORCID">https://orcid.org/0000-0001-7787-5962</idno>
                  <idno type="GOOGLE SCHOLAR">https://scholar.google.com/citations?user=LuqeFG4AAAAJ&amp;hl=en</idno>
                  <idno type="IDPINRA">ovitrac</idno>
                  <idno type="RESEARCHERID">http://www.researcherid.com/rid/http://www.researcherid.com/rid/J-5164-2014</idno>
                  <affiliation ref="#struct-549820"/>
                </author>
              </analytic>
              <monogr>
                <idno type="halJournalId" status="VALID">12189</idno>
                <idno type="issn">1040-8398</idno>
                <title level="j">Critical Reviews in Food Science and Nutrition</title>
                <imprint>
                  <publisher>Taylor &amp; Francis</publisher>
                  <biblScope unit="volume">57</biblScope>
                  <biblScope unit="issue">2</biblScope>
                  <biblScope unit="pp">275-312</biblScope>
                  <date type="datePub">2017</date>
                </imprint>
              </monogr>
              <idno type="doi">10.1080/10408398.2013.849654</idno>
              <idno type="prodinra">384213</idno>
              <idno type="pubmed">25831407</idno>
              <idno type="wos">000387762600004</idno>
              <ref target="https://archives-publications.inrae.fr/384213" type="seeAlso"/>
            </biblStruct>
          </sourceDesc>
          <profileDesc>
            <langUsage>
              <language ident="en">English</language>
            </langUsage>
            <textClass>
              <classCode scheme="halDomain" n="sdv">Life Sciences [q-bio]</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>Most of the physicochemical properties in polymers such as activity and partition coefficients, diffusion coefficients, and their activation with temperature are accessible to direct calculations from first principles. Such predictions are particularly relevant for food packaging as they can be used (1) to demonstrate the compliance or safety of numerous polymer materials and of their constitutive substances (e.g. additives, residues…), when they are used: as containers, coatings, sealants, gaskets, printing inks, etc. (2) or to predict the indirect contamination of food by pollutants (e.g. from recycled polymers, storage ambiance…) (3) or to assess the plasticization of materials in contact by food constituents (e.g. fat matter, aroma…). This review article summarizes the classical and last mechanistic descriptions of diffusion in polymers and discusses the reliability of semi-empirical approaches used for compliance testing both in EU and US. It is concluded that simulation of diffusion in or through polymers is not limited to worst-case assumptions but could also be applied to real cases for risk assessment, designing packaging with low leaching risk or to synthesize plastic additives with low diffusion rates.</p>
            </abstract>
          </profileDesc>
        </biblFull>
      </listBibl>
    </body>
    <back>
      <listOrg type="structures">
        <org type="laboratory" xml:id="struct-549820" status="OLD">
          <idno type="RNSR">200919241E</idno>
          <orgName>Ingénierie, Procédés, Aliments</orgName>
          <orgName type="acronym">GENIAL</orgName>
          <date type="end">2019-12-31</date>
          <desc>
            <address>
              <addrLine>1, avenue des Olympiades, F-91744 Massy</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">https://www6.jouy.inra.fr/umr-genial/</ref>
          </desc>
          <listRelation>
            <relation name="UMR1145" active="#struct-92114" type="direct"/>
            <relation active="#struct-148117" type="direct"/>
          </listRelation>
        </org>
        <org type="institution" xml:id="struct-92114" status="OLD">
          <idno type="ROR">https://ror.org/01x3gbx83</idno>
          <orgName>Institut National de la Recherche Agronomique</orgName>
          <orgName type="acronym">INRA</orgName>
          <date type="start">1946-05-18</date>
          <date type="end">2019-12-31</date>
          <desc>
            <address>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.inra.fr</ref>
          </desc>
        </org>
        <org type="institution" xml:id="struct-148117" status="VALID">
          <idno type="IdRef">139408088</idno>
          <idno type="ROR">https://ror.org/02kbmgc12</idno>
          <orgName>AgroParisTech</orgName>
          <date type="start">2007-01-01</date>
          <desc>
            <address>
              <addrLine>22 place de l'Agronomie CS 20040 91123 Palaiseau cedex</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">https://www.agroparistech.fr/</ref>
          </desc>
        </org>
      </listOrg>
    </back>
  </text>
</TEI>