Experimental and modeling study of the thermal decomposition of methyl decanoate
Identifieur interne : 000168 ( Pmc/Curation ); précédent : 000167; suivant : 000169Experimental and modeling study of the thermal decomposition of methyl decanoate
Auteurs : Olivier Herbinet [France] ; Pierre-Alexandre Glaude [France] ; Valérie Warth [France] ; Frédérique Battin-Leclerc [France]Source :
- Combustion and flame [ 0010-2180 ] ; 2011.
Abstract
The experimental study of the thermal decomposition of methyl decanoate was performed in a jet-stirred reactor at temperatures ranging from 773 to 1123 K, at residence times between 1 and 4 s, at a pressure of 800 Torr (106.6 kPa) and at high dilution in helium (fuel inlet mole fraction of 0.0218). Species leaving the reactor were analyzed by gas chromatography. Main reaction products were hydrogen, carbon oxides, small hydrocarbons from C1 to C3, large 1-olefins from 1-butene to 1-nonene, and unsaturated esters with one double bond at the end of the alkyl chain from methyl-2-propenoate to methyl-8-nonenoate. At the highest temperatures, the formation of polyunsaturated species was observed: 1,3-butadiene, 1,3-cyclopentadiene, benzene, toluene, indene, and naphthalene. These results were compared with previous ones about the pyrolysis of n-dodecane, an n-alkane of similar size. The reactivity of both molecules was found to be very close. The alkane produces more olefins while the ester yields unsaturated oxygenated compounds.
A detailed kinetic model for the thermal decomposition of methyl decanoate has been generated using the version of software EXGAS which was updated to take into account the specific chemistry involved in the oxidation of methyl esters. This model contains 324 species and 3231 reactions. It provided a very good prediction of the experimental data obtained in jet-stirred reactor. The formation of the major products was analyzed. The kinetic analysis showed that the retro-ene reactions of intermediate unsaturated methyl esters are of importance in low reactivity systems.
Url:
DOI: 10.1016/j.combustflame.2010.11.009
PubMed: 23710078
PubMed Central: 3661903
Links toward previous steps (curation, corpus...)
- to stream Pmc, to step Corpus: Pour aller vers cette notice dans l'étape Curation :000168
Links to Exploration step
PMC:3661903Le document en format XML
<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Experimental and modeling study of the thermal decomposition of methyl decanoate</title>
<author><name sortKey="Herbinet, Olivier" sort="Herbinet, Olivier" uniqKey="Herbinet O" first="Olivier" last="Herbinet">Olivier Herbinet</name>
<affiliation wicri:level="1"><nlm:aff id="A1">Laboratoire Réactions et Génie des Procédés, Nancy Université, CNRS UPR 3349, BP 20451, 1 rue Grandville, 54001 Nancy, France</nlm:aff>
<country xml:lang="fr">France</country>
<wicri:regionArea>Laboratoire Réactions et Génie des Procédés, Nancy Université, CNRS UPR 3349, BP 20451, 1 rue Grandville, 54001 Nancy</wicri:regionArea>
</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 wicri:level="1"><nlm:aff id="A1">Laboratoire Réactions et Génie des Procédés, Nancy Université, CNRS UPR 3349, BP 20451, 1 rue Grandville, 54001 Nancy, France</nlm:aff>
<country xml:lang="fr">France</country>
<wicri:regionArea>Laboratoire Réactions et Génie des Procédés, Nancy Université, CNRS UPR 3349, BP 20451, 1 rue Grandville, 54001 Nancy</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Warth, Valerie" sort="Warth, Valerie" uniqKey="Warth V" first="Valérie" last="Warth">Valérie Warth</name>
<affiliation wicri:level="1"><nlm:aff id="A1">Laboratoire Réactions et Génie des Procédés, Nancy Université, CNRS UPR 3349, BP 20451, 1 rue Grandville, 54001 Nancy, France</nlm:aff>
<country xml:lang="fr">France</country>
<wicri:regionArea>Laboratoire Réactions et Génie des Procédés, Nancy Université, CNRS UPR 3349, BP 20451, 1 rue Grandville, 54001 Nancy</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Battin Leclerc, Frederique" sort="Battin Leclerc, Frederique" uniqKey="Battin Leclerc F" first="Frédérique" last="Battin-Leclerc">Frédérique Battin-Leclerc</name>
<affiliation wicri:level="1"><nlm:aff id="A1">Laboratoire Réactions et Génie des Procédés, Nancy Université, CNRS UPR 3349, BP 20451, 1 rue Grandville, 54001 Nancy, France</nlm:aff>
<country xml:lang="fr">France</country>
<wicri:regionArea>Laboratoire Réactions et Génie des Procédés, Nancy Université, CNRS UPR 3349, BP 20451, 1 rue Grandville, 54001 Nancy</wicri:regionArea>
</affiliation>
</author>
</titleStmt>
<publicationStmt><idno type="wicri:source">PMC</idno>
<idno type="pmid">23710078</idno>
<idno type="pmc">3661903</idno>
<idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3661903</idno>
<idno type="RBID">PMC:3661903</idno>
<idno type="doi">10.1016/j.combustflame.2010.11.009</idno>
<date when="2011">2011</date>
<idno type="wicri:Area/Pmc/Corpus">000168</idno>
<idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Corpus" wicri:corpus="PMC">000168</idno>
<idno type="wicri:Area/Pmc/Curation">000168</idno>
<idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Curation">000168</idno>
</publicationStmt>
<sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">Experimental and modeling study of the thermal decomposition of methyl decanoate</title>
<author><name sortKey="Herbinet, Olivier" sort="Herbinet, Olivier" uniqKey="Herbinet O" first="Olivier" last="Herbinet">Olivier Herbinet</name>
<affiliation wicri:level="1"><nlm:aff id="A1">Laboratoire Réactions et Génie des Procédés, Nancy Université, CNRS UPR 3349, BP 20451, 1 rue Grandville, 54001 Nancy, France</nlm:aff>
<country xml:lang="fr">France</country>
<wicri:regionArea>Laboratoire Réactions et Génie des Procédés, Nancy Université, CNRS UPR 3349, BP 20451, 1 rue Grandville, 54001 Nancy</wicri:regionArea>
</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 wicri:level="1"><nlm:aff id="A1">Laboratoire Réactions et Génie des Procédés, Nancy Université, CNRS UPR 3349, BP 20451, 1 rue Grandville, 54001 Nancy, France</nlm:aff>
<country xml:lang="fr">France</country>
<wicri:regionArea>Laboratoire Réactions et Génie des Procédés, Nancy Université, CNRS UPR 3349, BP 20451, 1 rue Grandville, 54001 Nancy</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Warth, Valerie" sort="Warth, Valerie" uniqKey="Warth V" first="Valérie" last="Warth">Valérie Warth</name>
<affiliation wicri:level="1"><nlm:aff id="A1">Laboratoire Réactions et Génie des Procédés, Nancy Université, CNRS UPR 3349, BP 20451, 1 rue Grandville, 54001 Nancy, France</nlm:aff>
<country xml:lang="fr">France</country>
<wicri:regionArea>Laboratoire Réactions et Génie des Procédés, Nancy Université, CNRS UPR 3349, BP 20451, 1 rue Grandville, 54001 Nancy</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Battin Leclerc, Frederique" sort="Battin Leclerc, Frederique" uniqKey="Battin Leclerc F" first="Frédérique" last="Battin-Leclerc">Frédérique Battin-Leclerc</name>
<affiliation wicri:level="1"><nlm:aff id="A1">Laboratoire Réactions et Génie des Procédés, Nancy Université, CNRS UPR 3349, BP 20451, 1 rue Grandville, 54001 Nancy, France</nlm:aff>
<country xml:lang="fr">France</country>
<wicri:regionArea>Laboratoire Réactions et Génie des Procédés, Nancy Université, CNRS UPR 3349, BP 20451, 1 rue Grandville, 54001 Nancy</wicri:regionArea>
</affiliation>
</author>
</analytic>
<series><title level="j">Combustion and flame</title>
<idno type="ISSN">0010-2180</idno>
<idno type="eISSN">1556-2921</idno>
<imprint><date when="2011">2011</date>
</imprint>
</series>
</biblStruct>
</sourceDesc>
</fileDesc>
<profileDesc><textClass></textClass>
</profileDesc>
</teiHeader>
<front><div type="abstract" xml:lang="en"><p id="P1">The experimental study of the thermal decomposition of methyl decanoate was performed in a jet-stirred reactor at temperatures ranging from 773 to 1123 K, at residence times between 1 and 4 s, at a pressure of 800 Torr (106.6 kPa) and at high dilution in helium (fuel inlet mole fraction of 0.0218). Species leaving the reactor were analyzed by gas chromatography. Main reaction products were hydrogen, carbon oxides, small hydrocarbons from C<sub>1</sub>
to C<sub>3</sub>
, large 1-olefins from 1-butene to 1-nonene, and unsaturated esters with one double bond at the end of the alkyl chain from methyl-2-propenoate to methyl-8-nonenoate. At the highest temperatures, the formation of polyunsaturated species was observed: 1,3-butadiene, 1,3-cyclopentadiene, benzene, toluene, indene, and naphthalene. These results were compared with previous ones about the pyrolysis of n-dodecane, an n-alkane of similar size. The reactivity of both molecules was found to be very close. The alkane produces more olefins while the ester yields unsaturated oxygenated compounds.</p>
<p id="P2">A detailed kinetic model for the thermal decomposition of methyl decanoate has been generated using the version of software EXGAS which was updated to take into account the specific chemistry involved in the oxidation of methyl esters. This model contains 324 species and 3231 reactions. It provided a very good prediction of the experimental data obtained in jet-stirred reactor. The formation of the major products was analyzed. The kinetic analysis showed that the retro-ene reactions of intermediate unsaturated methyl esters are of importance in low reactivity systems.</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">9891739</journal-id>
<journal-id journal-id-type="pubmed-jr-id">41274</journal-id>
<journal-id journal-id-type="nlm-ta">Combust Flame</journal-id>
<journal-id journal-id-type="iso-abbrev">Combust Flame</journal-id>
<journal-title-group><journal-title>Combustion and flame</journal-title>
</journal-title-group>
<issn pub-type="ppub">0010-2180</issn>
<issn pub-type="epub">1556-2921</issn>
</journal-meta>
<article-meta><article-id pub-id-type="pmid">23710078</article-id>
<article-id pub-id-type="pmc">3661903</article-id>
<article-id pub-id-type="doi">10.1016/j.combustflame.2010.11.009</article-id>
<article-id pub-id-type="manuscript">EMS53302</article-id>
<article-categories><subj-group subj-group-type="heading"><subject>Article</subject>
</subj-group>
</article-categories>
<title-group><article-title>Experimental and modeling study of the thermal decomposition of methyl decanoate</article-title>
</title-group>
<contrib-group><contrib contrib-type="author"><name><surname>Herbinet</surname>
<given-names>Olivier</given-names>
</name>
<xref ref-type="aff" rid="A1">a</xref>
<xref ref-type="corresp" rid="CR1">*</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Glaude</surname>
<given-names>Pierre-Alexandre</given-names>
</name>
<xref ref-type="aff" rid="A1">a</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Warth</surname>
<given-names>Valérie</given-names>
</name>
<xref ref-type="aff" rid="A1">a</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Battin-Leclerc</surname>
<given-names>Frédérique</given-names>
</name>
<xref ref-type="aff" rid="A1">a</xref>
</contrib>
</contrib-group>
<aff id="A1"><label>a</label>
Laboratoire Réactions et Génie des Procédés, Nancy Université, CNRS UPR 3349, BP 20451, 1 rue Grandville, 54001 Nancy, France</aff>
<author-notes><corresp id="CR1"><label>*</label>
Corresponding author: Olivier Herbinet, Laboratoire Réactions et Génie des Procédés, Nancy Université, CNRS UPR 3349, BP 20451, 1 rue Grandville, 54000 Nancy, France. Tel : +33 3 83 17 53 60 ; Fax : +33 3 83 37 81 20 <email>olivier.herbinet@ensic.inpl-nancy.fr</email>
</corresp>
</author-notes>
<pub-date pub-type="nihms-submitted"><day>16</day>
<month>5</month>
<year>2013</year>
</pub-date>
<pub-date pub-type="ppub"><month>7</month>
<year>2011</year>
</pub-date>
<pub-date pub-type="pmc-release"><day>23</day>
<month>5</month>
<year>2013</year>
</pub-date>
<volume>158</volume>
<issue>7</issue>
<fpage>1288</fpage>
<lpage>1300</lpage>
<self-uri xlink:href="http://www.sciencedirect.com/science/article/pii/S0010218010003391"></self-uri>
<abstract><p id="P1">The experimental study of the thermal decomposition of methyl decanoate was performed in a jet-stirred reactor at temperatures ranging from 773 to 1123 K, at residence times between 1 and 4 s, at a pressure of 800 Torr (106.6 kPa) and at high dilution in helium (fuel inlet mole fraction of 0.0218). Species leaving the reactor were analyzed by gas chromatography. Main reaction products were hydrogen, carbon oxides, small hydrocarbons from C<sub>1</sub>
to C<sub>3</sub>
, large 1-olefins from 1-butene to 1-nonene, and unsaturated esters with one double bond at the end of the alkyl chain from methyl-2-propenoate to methyl-8-nonenoate. At the highest temperatures, the formation of polyunsaturated species was observed: 1,3-butadiene, 1,3-cyclopentadiene, benzene, toluene, indene, and naphthalene. These results were compared with previous ones about the pyrolysis of n-dodecane, an n-alkane of similar size. The reactivity of both molecules was found to be very close. The alkane produces more olefins while the ester yields unsaturated oxygenated compounds.</p>
<p id="P2">A detailed kinetic model for the thermal decomposition of methyl decanoate has been generated using the version of software EXGAS which was updated to take into account the specific chemistry involved in the oxidation of methyl esters. This model contains 324 species and 3231 reactions. It provided a very good prediction of the experimental data obtained in jet-stirred reactor. The formation of the major products was analyzed. The kinetic analysis showed that the retro-ene reactions of intermediate unsaturated methyl esters are of importance in low reactivity systems.</p>
</abstract>
<kwd-group><kwd>Methyl decanoate</kwd>
<kwd>Biodiesel</kwd>
<kwd>Jet-stirred reactor</kwd>
<kwd>Thermal decomposition</kwd>
<kwd>Pyrolysis</kwd>
<kwd>Kinetic modeling</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>
Pour manipuler ce document sous Unix (Dilib)
EXPLOR_STEP=$WICRI_ROOT/Wicri/Lorraine/explor/LrgpV1/Data/Pmc/Curation
HfdSelect -h $EXPLOR_STEP/biblio.hfd -nk 000168 | SxmlIndent | more
Ou
HfdSelect -h $EXPLOR_AREA/Data/Pmc/Curation/biblio.hfd -nk 000168 | SxmlIndent | more
Pour mettre un lien sur cette page dans le réseau Wicri
{{Explor lien |wiki= Wicri/Lorraine |area= LrgpV1 |flux= Pmc |étape= Curation |type= RBID |clé= PMC:3661903 |texte= Experimental and modeling study of the thermal decomposition of methyl decanoate }}
Pour générer des pages wiki
HfdIndexSelect -h $EXPLOR_AREA/Data/Pmc/Curation/RBID.i -Sk "pubmed:23710078" \ | HfdSelect -Kh $EXPLOR_AREA/Data/Pmc/Curation/biblio.hfd \ | NlmPubMed2Wicri -a LrgpV1
![]() | This area was generated with Dilib version V0.6.32. | ![]() |