<?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-00265395</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="2026-05-18T15:54:58+02:00"/>
      </publicationStmt>
      <sourceDesc>
        <p part="N">HAL API Platform</p>
      </sourceDesc>
    </fileDesc>
  </teiHeader>
  <text>
    <body>
      <listBibl>
        <biblFull>
          <titleStmt>
            <title xml:lang="en">Modelling of solubility and enthalpy of solution of CO2 in amines aqueous solutions.</title>
            <author role="aut">
              <persName>
                <forename type="first">Hugues</forename>
                <surname>Arcis</surname>
              </persName>
              <idno type="halauthorid">302689-0</idno>
              <affiliation ref="#struct-789"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">Laurence</forename>
                <surname>Rodier</surname>
              </persName>
              <email type="md5">e7ab19ba378b93320dfe70cd413077bf</email>
              <email type="domain">univ-bpclermont.fr</email>
              <idno type="idhal" notation="numeric">846736</idno>
              <idno type="halauthorid" notation="string">114463-846736</idno>
              <affiliation ref="#struct-789"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">Karine</forename>
                <surname>Ballerat-Busserolles</surname>
              </persName>
              <email type="md5">d6d144ca69848a7688bfcb83445ffeed</email>
              <email type="domain">univ-bpclermont.fr</email>
              <idno type="idhal" notation="numeric">776600</idno>
              <idno type="halauthorid" notation="string">195104-776600</idno>
              <idno type="ORCID">https://orcid.org/0000-0002-9936-0641</idno>
              <idno type="IDREF">https://www.idref.fr/200261711</idno>
              <idno type="VIAF">https://viaf.org/viaf/91149717411710950977</idno>
              <idno type="GOOGLE SCHOLAR">https://scholar.google.fr/citations?user=Y2rF304AAAAJ</idno>
              <affiliation ref="#struct-789"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">Jean Yves</forename>
                <surname>Coxam</surname>
              </persName>
              <email type="md5">4174944d9ca0c4942573e2d92a1b6446</email>
              <email type="domain">univ-bpclermont.fr</email>
              <idno type="idhal" notation="string">jean-yves-coxam</idno>
              <idno type="idhal" notation="numeric">7420</idno>
              <idno type="halauthorid" notation="string">302690-7420</idno>
              <idno type="ORCID">https://orcid.org/0000-0002-8128-8637</idno>
              <idno type="IDREF">https://www.idref.fr/033631085</idno>
              <affiliation ref="#struct-789"/>
            </author>
            <editor role="depositor">
              <persName>
                <forename>Karine</forename>
                <surname>Ballerat-Busserolles</surname>
              </persName>
              <email type="md5">d6d144ca69848a7688bfcb83445ffeed</email>
              <email type="domain">univ-bpclermont.fr</email>
            </editor>
          </titleStmt>
          <editionStmt>
            <edition n="v1" type="current">
              <date type="whenSubmitted">2008-03-19 10:40:50</date>
              <date type="whenModified">2024-05-24 19:15:26</date>
              <date type="whenReleased">2008-03-19 10:40:50</date>
              <date type="whenProduced">2008-07-02</date>
            </edition>
            <respStmt>
              <resp>contributor</resp>
              <name key="116815">
                <persName>
                  <forename>Karine</forename>
                  <surname>Ballerat-Busserolles</surname>
                </persName>
                <email type="md5">d6d144ca69848a7688bfcb83445ffeed</email>
                <email type="domain">univ-bpclermont.fr</email>
              </name>
            </respStmt>
          </editionStmt>
          <publicationStmt>
            <distributor>CCSD</distributor>
            <idno type="halId">hal-00265395</idno>
            <idno type="halUri">https://hal.science/hal-00265395</idno>
            <idno type="halBibtex">arcis:hal-00265395</idno>
            <idno type="halRefHtml">&lt;i&gt;63rd calorimetry conference, calcon2008&lt;/i&gt;, Jul 2008, jersey city, NJ, United States</idno>
            <idno type="halRef">63rd calorimetry conference, calcon2008, Jul 2008, jersey city, NJ, United States</idno>
            <availability status="restricted"/>
          </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>
          </seriesStmt>
          <notesStmt>
            <note type="commentary">COMMUNICATION ORALE</note>
            <note type="audience" n="1">Not set</note>
            <note type="invited" n="0">No</note>
            <note type="popular" n="0">No</note>
            <note type="peer" n="1">Yes</note>
            <note type="proceedings" n="0">No</note>
          </notesStmt>
          <sourceDesc>
            <biblStruct>
              <analytic>
                <title xml:lang="en">Modelling of solubility and enthalpy of solution of CO2 in amines aqueous solutions.</title>
                <author role="aut">
                  <persName>
                    <forename type="first">Hugues</forename>
                    <surname>Arcis</surname>
                  </persName>
                  <idno type="halauthorid">302689-0</idno>
                  <affiliation ref="#struct-789"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">Laurence</forename>
                    <surname>Rodier</surname>
                  </persName>
                  <email type="md5">e7ab19ba378b93320dfe70cd413077bf</email>
                  <email type="domain">univ-bpclermont.fr</email>
                  <idno type="idhal" notation="numeric">846736</idno>
                  <idno type="halauthorid" notation="string">114463-846736</idno>
                  <affiliation ref="#struct-789"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">Karine</forename>
                    <surname>Ballerat-Busserolles</surname>
                  </persName>
                  <email type="md5">d6d144ca69848a7688bfcb83445ffeed</email>
                  <email type="domain">univ-bpclermont.fr</email>
                  <idno type="idhal" notation="numeric">776600</idno>
                  <idno type="halauthorid" notation="string">195104-776600</idno>
                  <idno type="ORCID">https://orcid.org/0000-0002-9936-0641</idno>
                  <idno type="IDREF">https://www.idref.fr/200261711</idno>
                  <idno type="VIAF">https://viaf.org/viaf/91149717411710950977</idno>
                  <idno type="GOOGLE SCHOLAR">https://scholar.google.fr/citations?user=Y2rF304AAAAJ</idno>
                  <affiliation ref="#struct-789"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">Jean Yves</forename>
                    <surname>Coxam</surname>
                  </persName>
                  <email type="md5">4174944d9ca0c4942573e2d92a1b6446</email>
                  <email type="domain">univ-bpclermont.fr</email>
                  <idno type="idhal" notation="string">jean-yves-coxam</idno>
                  <idno type="idhal" notation="numeric">7420</idno>
                  <idno type="halauthorid" notation="string">302690-7420</idno>
                  <idno type="ORCID">https://orcid.org/0000-0002-8128-8637</idno>
                  <idno type="IDREF">https://www.idref.fr/033631085</idno>
                  <affiliation ref="#struct-789"/>
                </author>
              </analytic>
              <monogr>
                <meeting>
                  <title>63rd calorimetry conference, calcon2008</title>
                  <date type="start">2008-07-02</date>
                  <settlement>jersey city, NJ</settlement>
                  <country key="US">United States</country>
                </meeting>
                <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="COMM">Conference papers</classCode>
              <classCode scheme="halOldTypology" n="COMM">Conference papers</classCode>
              <classCode scheme="halTreeTypology" n="COMM">Conference papers</classCode>
            </textClass>
            <abstract xml:lang="en">
              <p>Removal of acid gases is an important step of natural gases and industrial gas streams processing both from the economical and environmental of view. Aqueous solutions of alkanolamines are well known to be efficient chemical solvents for the CO2 capture. Reliable experimental data for solubility and enthalpy of solution of acid gases in aqueous solutions of alkanolamines are required for the design of gas treating equipments and to develop thermodynamic models describing this process. In this work a rigorous model to correlate both the solubility and the enthalpy of solution of CO2 in the absorbent solution is presented. It is based on a system of equations for the chemical and phase equilibria. The activity coefficients of both molecular and ionic species in the liquid phase are calculated from a modified Pitzer equation [1] and the fugacity coefficients in the vapor phase using a truncated Virial equation of state. The equilibrium constants for the chemical reactions and the Henry's law constant are obtained from different literature sources [2,3]. Selected interaction parameters in modified Pitzer equation are regressed from experimental and literature solubility data using the MINUIT code [4]. The enthalpies of solution are calculated from this model by temperature derivation of the equilibrium equations. The model is tested by comparing calculated enthalpies of solution with experimental enthalpies of solution in 15 and 30 wt% aqueous solutions of monoethanolamine (MEA), diethanolamine (DEA), triethanolamine (TEA), 2-Amino-2-Methyl-1-Propanol (AMP) [5] and methyldiethanolamine (MDEA) [6]. The importance of the different enthalpic contributions associated to chemical reactions and physical equilibria will be discussed.</p>
            </abstract>
          </profileDesc>
        </biblFull>
      </listBibl>
    </body>
    <back>
      <listOrg type="structures">
        <org type="laboratory" xml:id="struct-789" status="OLD">
          <orgName>Thermodynamique des solutions et des polymères</orgName>
          <orgName type="acronym">TSP</orgName>
          <date type="start">1983-01-01</date>
          <date type="end">2009-12-31</date>
          <desc>
            <address>
              <addrLine>bat. Chimie 6 24 Av des landais 63177 AUBIERE CEDEX</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://therm04.univ-bpclermont.fr</ref>
          </desc>
          <listRelation>
            <relation active="#struct-205618" type="direct"/>
            <relation name="FRE3099 / UMR6003 / FRE2121 / ESA6003 / URA434" 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="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>