Combustion chemistry and flame structure of furan group biofuels using molecular-beam mass spectrometry and gas chromatography – Part I: Furan
Identifieur interne : 000173 ( Pmc/Curation ); précédent : 000172; suivant : 000174Combustion chemistry and flame structure of furan group biofuels using molecular-beam mass spectrometry and gas chromatography – Part I: Furan
Auteurs : Dong Liu [Allemagne] ; Casimir Togbé [Allemagne] ; Luc-Sy Tran [France] ; Daniel Felsmann [Allemagne] ; Patrick O Wald [Allemagne] ; Patrick Nau [Allemagne] ; Julia Koppmann [Allemagne] ; Alexander Lackner [Allemagne] ; Pierre-Alexandre Glaude [France] ; Baptiste Sirjean [France] ; René Fournet [France] ; Frédérique Battin-Leclerc [France] ; Katharina Kohse-Höinghaus [Allemagne]Source :
- Combustion and flame [ 0010-2180 ] ; 2014.
Abstract
Fuels of the furan family, i.e. furan itself, 2-methylfuran (MF), and 2,5-dimethylfuran (DMF) are being proposed as alternatives to hydrocarbon fuels and are potentially accessible from cellulosic biomass. While some experiments and modeling results are becoming available for each of these fuels, a comprehensive experimental and modeling analysis of the three fuels under the same conditions, simulated using the same chemical reaction model, has – to the best of our knowledge – not been attempted before. The present series of three papers, detailing the results obtained in flat flames for each of the three fuels separately, reports experimental data and explores their combustion chemistry using kinetic modeling. The first part of this series focuses on the chemistry of low-pressure furan flames. Two laminar premixed low-pressure (20 and 40 mbar) flat argon-diluted (50%) flames of furan were studied at two equivalence ratios (φ=1.0 and 1.7) using an analytical combination of high-resolution electron-ionization molecular-beam mass spectrometry (EI-MBMS) in Bielefeld and gas chromatography (GC) in Nancy. The time-of-flight MBMS with its high mass resolution enables the detection of both stable and reactive species, while the gas chromatograph permits the separation of isomers. Mole fractions of reactants, products, and stable and radical intermediates were measured as a function of the distance to the burner. A single kinetic model was used to predict the flame structure of the three fuels: furan (in this paper), 2-methylfuran (in Part II), and 2,5-dimethylfuran (in Part III). A refined sub-mechanism for furan combustion, based on the work of Tian et al. [Combustion and Flame 158 (2011) 756-773] was developed which was then compared to the present experimental results. Overall, the agreement is encouraging. The main reaction pathways involved in furan combustion were delineated computing the rates of formation and consumption of all species. It is seen that the predominant furan consumption pathway is initiated by H-addition on the carbon atom neighboring the O-atom with acetylene as one of the dominant products.
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DOI: 10.1016/j.combustflame.2013.05.028
PubMed: 24518999
PubMed Central: 3837219
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des Procédés (LRGP), CNRS, Université de Lorraine, ENSIC, 1 rue Grandville, BP 20451, 54001 Nancy Cedex, France</nlm:aff><country xml:lang="fr">France</country><wicri:regionArea>Laboratoire Réactions et Génie des Procédés (LRGP), CNRS, Université de Lorraine, ENSIC, 1 rue Grandville, BP 20451, 54001 Nancy Cedex</wicri:regionArea></affiliation></author><author><name sortKey="Fournet, Rene" sort="Fournet, Rene" uniqKey="Fournet R" first="René" last="Fournet">René Fournet</name><affiliation wicri:level="1"><nlm:aff id="A2">Laboratoire Réactions et Génie des Procédés (LRGP), CNRS, Université de Lorraine, ENSIC, 1 rue Grandville, BP 20451, 54001 Nancy Cedex, France</nlm:aff><country xml:lang="fr">France</country><wicri:regionArea>Laboratoire Réactions et Génie des Procédés (LRGP), CNRS, Université de Lorraine, ENSIC, 1 rue Grandville, BP 20451, 54001 Nancy Cedex</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="A2">Laboratoire Réactions et Génie des Procédés (LRGP), CNRS, Université de Lorraine, ENSIC, 1 rue Grandville, BP 20451, 54001 Nancy Cedex, France</nlm:aff><country xml:lang="fr">France</country><wicri:regionArea>Laboratoire Réactions et Génie des Procédés (LRGP), CNRS, Université de Lorraine, ENSIC, 1 rue Grandville, BP 20451, 54001 Nancy Cedex</wicri:regionArea></affiliation></author><author><name sortKey="Kohse Hoinghaus, Katharina" sort="Kohse Hoinghaus, Katharina" uniqKey="Kohse Hoinghaus K" first="Katharina" last="Kohse-Höinghaus">Katharina Kohse-Höinghaus</name><affiliation wicri:level="1"><nlm:aff id="A1">Department of Chemistry, Bielefeld University, Universitätsstraße 25, D-33615 Bielefeld, Germany</nlm:aff><country xml:lang="fr">Allemagne</country><wicri:regionArea>Department of Chemistry, Bielefeld University, Universitätsstraße 25, D-33615 Bielefeld</wicri:regionArea></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">PMC</idno><idno type="pmid">24518999</idno><idno type="pmc">3837219</idno><idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3837219</idno><idno type="RBID">PMC:3837219</idno><idno type="doi">10.1016/j.combustflame.2013.05.028</idno><date when="2014">2014</date><idno type="wicri:Area/Pmc/Corpus">000173</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Corpus" wicri:corpus="PMC">000173</idno><idno type="wicri:Area/Pmc/Curation">000173</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Curation">000173</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">Combustion chemistry and flame structure of furan group biofuels using molecular-beam mass spectrometry and gas chromatography – Part I: Furan</title><author><name sortKey="Liu, Dong" sort="Liu, Dong" uniqKey="Liu D" first="Dong" last="Liu">Dong Liu</name><affiliation wicri:level="1"><nlm:aff id="A1">Department of Chemistry, Bielefeld University, Universitätsstraße 25, D-33615 Bielefeld, Germany</nlm:aff><country xml:lang="fr">Allemagne</country><wicri:regionArea>Department of Chemistry, Bielefeld University, Universitätsstraße 25, D-33615 Bielefeld</wicri:regionArea></affiliation></author><author><name sortKey="Togbe, Casimir" sort="Togbe, Casimir" uniqKey="Togbe C" first="Casimir" last="Togbé">Casimir Togbé</name><affiliation wicri:level="1"><nlm:aff id="A1">Department of Chemistry, Bielefeld University, Universitätsstraße 25, D-33615 Bielefeld, Germany</nlm:aff><country xml:lang="fr">Allemagne</country><wicri:regionArea>Department of Chemistry, Bielefeld University, Universitätsstraße 25, D-33615 Bielefeld</wicri:regionArea></affiliation></author><author><name sortKey="Tran, Luc Sy" sort="Tran, Luc Sy" uniqKey="Tran L" first="Luc-Sy" last="Tran">Luc-Sy Tran</name><affiliation wicri:level="1"><nlm:aff id="A2">Laboratoire Réactions et Génie des Procédés (LRGP), CNRS, Université de Lorraine, ENSIC, 1 rue Grandville, BP 20451, 54001 Nancy Cedex, France</nlm:aff><country xml:lang="fr">France</country><wicri:regionArea>Laboratoire Réactions et Génie des Procédés (LRGP), CNRS, Université de Lorraine, ENSIC, 1 rue Grandville, BP 20451, 54001 Nancy Cedex</wicri:regionArea></affiliation></author><author><name sortKey="Felsmann, Daniel" sort="Felsmann, Daniel" uniqKey="Felsmann D" first="Daniel" last="Felsmann">Daniel Felsmann</name><affiliation wicri:level="1"><nlm:aff id="A1">Department of Chemistry, Bielefeld University, Universitätsstraße 25, D-33615 Bielefeld, Germany</nlm:aff><country xml:lang="fr">Allemagne</country><wicri:regionArea>Department of Chemistry, Bielefeld University, Universitätsstraße 25, D-33615 Bielefeld</wicri:regionArea></affiliation></author><author><name sortKey="O Wald, Patrick" sort="O Wald, Patrick" uniqKey="O Wald P" first="Patrick" last="O Wald">Patrick O Wald</name><affiliation wicri:level="1"><nlm:aff id="A1">Department of Chemistry, Bielefeld University, Universitätsstraße 25, D-33615 Bielefeld, Germany</nlm:aff><country xml:lang="fr">Allemagne</country><wicri:regionArea>Department of Chemistry, Bielefeld University, Universitätsstraße 25, D-33615 Bielefeld</wicri:regionArea></affiliation></author><author><name sortKey="Nau, Patrick" sort="Nau, Patrick" uniqKey="Nau P" first="Patrick" last="Nau">Patrick Nau</name><affiliation wicri:level="1"><nlm:aff id="A1">Department of Chemistry, Bielefeld University, Universitätsstraße 25, D-33615 Bielefeld, Germany</nlm:aff><country xml:lang="fr">Allemagne</country><wicri:regionArea>Department of Chemistry, Bielefeld University, Universitätsstraße 25, D-33615 Bielefeld</wicri:regionArea></affiliation></author><author><name sortKey="Koppmann, Julia" sort="Koppmann, Julia" uniqKey="Koppmann J" first="Julia" last="Koppmann">Julia Koppmann</name><affiliation wicri:level="1"><nlm:aff id="A1">Department of Chemistry, Bielefeld University, Universitätsstraße 25, D-33615 Bielefeld, Germany</nlm:aff><country xml:lang="fr">Allemagne</country><wicri:regionArea>Department of Chemistry, Bielefeld University, Universitätsstraße 25, D-33615 Bielefeld</wicri:regionArea></affiliation></author><author><name sortKey="Lackner, Alexander" sort="Lackner, Alexander" uniqKey="Lackner A" first="Alexander" last="Lackner">Alexander Lackner</name><affiliation wicri:level="1"><nlm:aff id="A1">Department of Chemistry, Bielefeld University, Universitätsstraße 25, D-33615 Bielefeld, Germany</nlm:aff><country xml:lang="fr">Allemagne</country><wicri:regionArea>Department of Chemistry, Bielefeld University, Universitätsstraße 25, D-33615 Bielefeld</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="A2">Laboratoire Réactions et Génie des Procédés (LRGP), CNRS, Université de Lorraine, ENSIC, 1 rue Grandville, BP 20451, 54001 Nancy Cedex, France</nlm:aff><country xml:lang="fr">France</country><wicri:regionArea>Laboratoire Réactions et Génie des Procédés (LRGP), CNRS, Université de Lorraine, ENSIC, 1 rue Grandville, BP 20451, 54001 Nancy Cedex</wicri:regionArea></affiliation></author><author><name sortKey="Sirjean, Baptiste" sort="Sirjean, Baptiste" uniqKey="Sirjean B" first="Baptiste" last="Sirjean">Baptiste Sirjean</name><affiliation wicri:level="1"><nlm:aff id="A2">Laboratoire Réactions et Génie des Procédés (LRGP), CNRS, Université de Lorraine, ENSIC, 1 rue Grandville, BP 20451, 54001 Nancy Cedex, France</nlm:aff><country xml:lang="fr">France</country><wicri:regionArea>Laboratoire Réactions et Génie des Procédés (LRGP), CNRS, Université de Lorraine, ENSIC, 1 rue Grandville, BP 20451, 54001 Nancy Cedex</wicri:regionArea></affiliation></author><author><name sortKey="Fournet, Rene" sort="Fournet, Rene" uniqKey="Fournet R" first="René" last="Fournet">René Fournet</name><affiliation wicri:level="1"><nlm:aff id="A2">Laboratoire Réactions et Génie des Procédés (LRGP), CNRS, Université de Lorraine, ENSIC, 1 rue Grandville, BP 20451, 54001 Nancy Cedex, France</nlm:aff><country xml:lang="fr">France</country><wicri:regionArea>Laboratoire Réactions et Génie des Procédés (LRGP), CNRS, Université de Lorraine, ENSIC, 1 rue Grandville, BP 20451, 54001 Nancy Cedex</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="A2">Laboratoire Réactions et Génie des Procédés (LRGP), CNRS, Université de Lorraine, ENSIC, 1 rue Grandville, BP 20451, 54001 Nancy Cedex, France</nlm:aff><country xml:lang="fr">France</country><wicri:regionArea>Laboratoire Réactions et Génie des Procédés (LRGP), CNRS, Université de Lorraine, ENSIC, 1 rue Grandville, BP 20451, 54001 Nancy Cedex</wicri:regionArea></affiliation></author><author><name sortKey="Kohse Hoinghaus, Katharina" sort="Kohse Hoinghaus, Katharina" uniqKey="Kohse Hoinghaus K" first="Katharina" last="Kohse-Höinghaus">Katharina Kohse-Höinghaus</name><affiliation wicri:level="1"><nlm:aff id="A1">Department of Chemistry, Bielefeld University, Universitätsstraße 25, D-33615 Bielefeld, Germany</nlm:aff><country xml:lang="fr">Allemagne</country><wicri:regionArea>Department of Chemistry, Bielefeld University, Universitätsstraße 25, D-33615 Bielefeld</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="2014">2014</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en"><p id="P4">Fuels of the furan family, i.e. furan itself, 2-methylfuran (MF), and 2,5-dimethylfuran (DMF) are being proposed as alternatives to hydrocarbon fuels and are potentially accessible from cellulosic biomass. While some experiments and modeling results are becoming available for each of these fuels, a comprehensive experimental and modeling analysis of the three fuels under the same conditions, simulated using the same chemical reaction model, has – to the best of our knowledge – not been attempted before. The present series of three papers, detailing the results obtained in flat flames for each of the three fuels separately, reports experimental data and explores their combustion chemistry using kinetic modeling. The first part of this series focuses on the chemistry of low-pressure furan flames. Two laminar premixed low-pressure (20 and 40 mbar) flat argon-diluted (50%) flames of furan were studied at two equivalence ratios (φ=1.0 and 1.7) using an analytical combination of high-resolution electron-ionization molecular-beam mass spectrometry (EI-MBMS) in Bielefeld and gas chromatography (GC) in Nancy. The time-of-flight MBMS with its high mass resolution enables the detection of both stable and reactive species, while the gas chromatograph permits the separation of isomers. Mole fractions of reactants, products, and stable and radical intermediates were measured as a function of the distance to the burner. A single kinetic model was used to predict the flame structure of the three fuels: furan (in this paper), 2-methylfuran (in Part II), and 2,5-dimethylfuran (in Part III). A refined sub-mechanism for furan combustion, based on the work of Tian et al. [Combustion and Flame 158 (2011) 756-773] was developed which was then compared to the present experimental results. Overall, the agreement is encouraging. The main reaction pathways involved in furan combustion were delineated computing the rates of formation and consumption of all species. It is seen that the predominant furan consumption pathway is initiated by H-addition on the carbon atom neighboring the O-atom with acetylene as one of the dominant products.</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">24518999</article-id><article-id pub-id-type="pmc">3837219</article-id><article-id pub-id-type="doi">10.1016/j.combustflame.2013.05.028</article-id><article-id pub-id-type="manuscript">EMS54900</article-id><article-categories><subj-group subj-group-type="heading"><subject>Article</subject></subj-group></article-categories><title-group><article-title>Combustion chemistry and flame structure of furan group biofuels using molecular-beam mass spectrometry and gas chromatography – Part I: Furan</article-title></title-group><contrib-group><contrib contrib-type="author"><name><surname>Liu</surname><given-names>Dong</given-names></name><xref ref-type="aff" rid="A1">1</xref></contrib><contrib contrib-type="author"><name><surname>Togbé</surname><given-names>Casimir</given-names></name><xref ref-type="aff" rid="A1">1</xref></contrib><contrib contrib-type="author"><name><surname>Tran</surname><given-names>Luc-Sy</given-names></name><xref ref-type="aff" rid="A2">2</xref></contrib><contrib contrib-type="author"><name><surname>Felsmann</surname><given-names>Daniel</given-names></name><xref ref-type="aff" rid="A1">1</xref></contrib><contrib contrib-type="author"><name><surname>Oßwald</surname><given-names>Patrick</given-names></name><xref ref-type="aff" rid="A1">1</xref><xref ref-type="author-notes" rid="FN1">#</xref></contrib><contrib contrib-type="author"><name><surname>Nau</surname><given-names>Patrick</given-names></name><xref ref-type="aff" rid="A1">1</xref></contrib><contrib contrib-type="author"><name><surname>Koppmann</surname><given-names>Julia</given-names></name><xref ref-type="aff" rid="A1">1</xref></contrib><contrib contrib-type="author"><name><surname>Lackner</surname><given-names>Alexander</given-names></name><xref ref-type="aff" rid="A1">1</xref></contrib><contrib contrib-type="author"><name><surname>Glaude</surname><given-names>Pierre-Alexandre</given-names></name><xref ref-type="aff" rid="A2">2</xref></contrib><contrib contrib-type="author"><name><surname>Sirjean</surname><given-names>Baptiste</given-names></name><xref ref-type="aff" rid="A2">2</xref></contrib><contrib contrib-type="author"><name><surname>Fournet</surname><given-names>René</given-names></name><xref ref-type="aff" rid="A2">2</xref></contrib><contrib contrib-type="author"><name><surname>Battin-Leclerc</surname><given-names>Frédérique</given-names></name><xref ref-type="aff" rid="A2">2</xref><xref ref-type="corresp" rid="CR1">*</xref></contrib><contrib contrib-type="author"><name><surname>Kohse-Höinghaus</surname><given-names>Katharina</given-names></name><xref ref-type="aff" rid="A1">1</xref><xref ref-type="corresp" rid="CR1">*</xref></contrib></contrib-group><aff id="A1"><label>1</label>Department of Chemistry, Bielefeld University, Universitätsstraße 25, D-33615 Bielefeld, Germany</aff><aff id="A2"><label>2</label>Laboratoire Réactions et Génie des Procédés (LRGP), CNRS, Université de Lorraine, ENSIC, 1 rue Grandville, BP 20451, 54001 Nancy Cedex, France</aff><author-notes><corresp id="CR1"><label>*</label>Corresponding authors. Katharina Kohse-Höinghaus: <email>kkh@uni-bielefeld.de</email>, Phone: +49 521 106 2052, Fax: +49 521 106 6027 and Frédérique Battin-Leclerc: <email>Frederique.Battin-Leclerc@univ-lorraine.fr</email>, Phone: +33 3 83 17 51 25, Fax: +33 3 83 37 81 20
</corresp><fn fn-type="current-aff" id="FN1"><label>#</label><p id="P1">now at German Aerospace Center (DLR), Institute of Combustion Technology, Pfaffenwaldring 38-40, D-70569 Stuttgart, Germany</p></fn><fn id="FN3"><p id="P2"><bold>Statement about contributions of authors</bold></p><p id="P3">The EI-MBMS measurements were performed by CT, LST, DL, and DF; they also, with contributions by PO, evaluated the data. PN, JK, and AL performed the temperature measurements. GC measurements and their evaluation were done by LST and PAG with some contributions of DF. Model development and simulations were performed by PAG, BS, LST, and RF. KKH and FBL directed the work and structured the research and discussions as well as the manuscript writing.</p></fn></author-notes><pub-date pub-type="nihms-submitted"><day>26</day><month>9</month><year>2013</year></pub-date><pub-date pub-type="ppub"><day>1</day><month>3</month><year>2014</year></pub-date><pub-date pub-type="pmc-release"><day>01</day><month>9</month><year>2015</year></pub-date><volume>161</volume><issue>3</issue><fpage>748</fpage><lpage>765</lpage><pmc-comment>elocation-id from pubmed: 10.1016/j.combustflame.2013.05.028</pmc-comment>
<self-uri xlink:href="http://www.sciencedirect.com/science/article/pii/S0010218013002216"></self-uri><abstract><p id="P4">Fuels of the furan family, i.e. furan itself, 2-methylfuran (MF), and 2,5-dimethylfuran (DMF) are being proposed as alternatives to hydrocarbon fuels and are potentially accessible from cellulosic biomass. While some experiments and modeling results are becoming available for each of these fuels, a comprehensive experimental and modeling analysis of the three fuels under the same conditions, simulated using the same chemical reaction model, has – to the best of our knowledge – not been attempted before. The present series of three papers, detailing the results obtained in flat flames for each of the three fuels separately, reports experimental data and explores their combustion chemistry using kinetic modeling. The first part of this series focuses on the chemistry of low-pressure furan flames. Two laminar premixed low-pressure (20 and 40 mbar) flat argon-diluted (50%) flames of furan were studied at two equivalence ratios (φ=1.0 and 1.7) using an analytical combination of high-resolution electron-ionization molecular-beam mass spectrometry (EI-MBMS) in Bielefeld and gas chromatography (GC) in Nancy. The time-of-flight MBMS with its high mass resolution enables the detection of both stable and reactive species, while the gas chromatograph permits the separation of isomers. Mole fractions of reactants, products, and stable and radical intermediates were measured as a function of the distance to the burner. A single kinetic model was used to predict the flame structure of the three fuels: furan (in this paper), 2-methylfuran (in Part II), and 2,5-dimethylfuran (in Part III). A refined sub-mechanism for furan combustion, based on the work of Tian et al. [Combustion and Flame 158 (2011) 756-773] was developed which was then compared to the present experimental results. Overall, the agreement is encouraging. The main reaction pathways involved in furan combustion were delineated computing the rates of formation and consumption of all species. It is seen that the predominant furan consumption pathway is initiated by H-addition on the carbon atom neighboring the O-atom with acetylene as one of the dominant products.</p></abstract><kwd-group><kwd>Furan</kwd><kwd>low-pressure flame</kwd><kwd>detailed kinetic model</kwd><kwd>quantum cascade laser thermometry</kwd><kwd>molecular-beam mass spectrometry</kwd><kwd>gas chromatography</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)
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