Combustion chemistry and flame structure of furan group biofuels using molecular-beam mass spectrometry and gas chromatography - Part I: Furan
Identifieur interne : 000030 ( PascalFrancis/Checkpoint ); précédent : 000029; suivant : 000031Combustion chemistry and flame structure of furan group biofuels using molecular-beam mass spectrometry and gas chromatography - Part I: Furan
Auteurs : DONG LIU [Allemagne] ; Casimir Togbe [Allemagne] ; Luc-Sy Tran [France] ; Daniel Felsmann [Allemagne] ; Patrick Osswald [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.
Descripteurs français
- Pascal (Inist)
- Combustion, Structure flamme, Furane, Dérivé du furane, Biocarburant, Mécanisme réaction, Détecteur ionisation flamme, Faisceau moléculaire, Chromatographie phase gazeuse, Basse pression, Détecteur conductivité thermique, Modèle cinétique, Laser cascade quantique, Thermométrie, Spectrométrie masse, Condition opératoire, Modélisation.
English descriptors
- KwdEn :
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. [Combust. 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.
Affiliations:
- Allemagne, France
- Grand Est, Lorraine (région)
- Nancy
- Centre national de la recherche scientifique, Laboratoire réactions et génie des procédés, Université de Lorraine
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(région)</region><settlement type="city">Nancy</settlement></placeName><orgName type="university">Université de Lorraine</orgName></affiliation></author><author><name sortKey="Sirjean, Baptiste" sort="Sirjean, Baptiste" uniqKey="Sirjean B" first="Baptiste" last="Sirjean">Baptiste Sirjean</name><affiliation wicri:level="4"><inist:fA14 i1="02"><s1>Laboratoire Reactions et Génie des Procédés (LRGP), CNRS, Université de Lorraine, ENSIC, 1 rue Grandville, BP 20451</s1><s2>54001 Nancy</s2><s3>FRA</s3><sZ>3 aut.</sZ><sZ>9 aut.</sZ><sZ>10 aut.</sZ><sZ>11 aut.</sZ><sZ>12 aut.</sZ></inist:fA14><country>France</country><placeName><region type="region" nuts="2">Grand Est</region><region type="old region" nuts="2">Lorraine (région)</region><settlement type="city">Nancy</settlement></placeName><orgName type="university">Université de Lorraine</orgName></affiliation></author><author><name sortKey="Fournet, Rene" sort="Fournet, Rene" uniqKey="Fournet R" first="René" last="Fournet">René Fournet</name><affiliation wicri:level="4"><inist:fA14 i1="02"><s1>Laboratoire Reactions et Génie des Procédés (LRGP), CNRS, Université de Lorraine, ENSIC, 1 rue Grandville, BP 20451</s1><s2>54001 Nancy</s2><s3>FRA</s3><sZ>3 aut.</sZ><sZ>9 aut.</sZ><sZ>10 aut.</sZ><sZ>11 aut.</sZ><sZ>12 aut.</sZ></inist:fA14><country>France</country><placeName><region type="region" nuts="2">Grand Est</region><region type="old region" nuts="2">Lorraine (région)</region><settlement type="city">Nancy</settlement></placeName><orgName type="university">Université de Lorraine</orgName></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="4"><inist:fA14 i1="02"><s1>Laboratoire Reactions et Génie des Procédés (LRGP), CNRS, Université de Lorraine, ENSIC, 1 rue Grandville, BP 20451</s1><s2>54001 Nancy</s2><s3>FRA</s3><sZ>3 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i1="01"><s1>Department of Chemistry, Bielefeld University, Universitätsstrasse 25</s1><s2>33615 Bielefeld</s2><s3>DEU</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ><sZ>7 aut.</sZ><sZ>8 aut.</sZ><sZ>13 aut.</sZ></inist:fA14><country>Allemagne</country><wicri:noRegion>33615 Bielefeld</wicri:noRegion><wicri:noRegion>Universitätsstrasse 25</wicri:noRegion><wicri:noRegion>33615 Bielefeld</wicri:noRegion></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">INIST</idno><idno type="inist">14-0107769</idno><date when="2014">2014</date><idno type="stanalyst">PASCAL 14-0107769 INIST</idno><idno type="RBID">Pascal:14-0107769</idno><idno type="wicri:Area/PascalFrancis/Corpus">000025</idno><idno type="wicri:Area/PascalFrancis/Curation">000A84</idno><idno type="wicri:Area/PascalFrancis/Checkpoint">000030</idno><idno type="wicri:explorRef" wicri:stream="PascalFrancis" wicri:step="Checkpoint">000030</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en" level="a">Combustion chemistry and flame structure of furan group biofuels using molecular-beam mass spectrometry and gas chromatography - Part I: Furan</title><author><name sortKey="Dong Liu" sort="Dong Liu" uniqKey="Dong Liu" last="Dong Liu">DONG LIU</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Department of Chemistry, Bielefeld University, Universitätsstrasse 25</s1><s2>33615 Bielefeld</s2><s3>DEU</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ><sZ>7 aut.</sZ><sZ>8 aut.</sZ><sZ>13 aut.</sZ></inist:fA14><country>Allemagne</country><wicri:noRegion>33615 Bielefeld</wicri:noRegion><wicri:noRegion>Universitätsstrasse 25</wicri:noRegion><wicri:noRegion>33615 Bielefeld</wicri:noRegion></affiliation></author><author><name sortKey="Togbe, Casimir" sort="Togbe, Casimir" uniqKey="Togbe C" first="Casimir" last="Togbe">Casimir Togbe</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Department of Chemistry, Bielefeld University, Universitätsstrasse 25</s1><s2>33615 Bielefeld</s2><s3>DEU</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ><sZ>7 aut.</sZ><sZ>8 aut.</sZ><sZ>13 aut.</sZ></inist:fA14><country>Allemagne</country><wicri:noRegion>33615 Bielefeld</wicri:noRegion><wicri:noRegion>Universitätsstrasse 25</wicri:noRegion><wicri:noRegion>33615 Bielefeld</wicri:noRegion></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="4"><inist:fA14 i1="02"><s1>Laboratoire Reactions et Génie des Procédés (LRGP), CNRS, Université de Lorraine, ENSIC, 1 rue Grandville, BP 20451</s1><s2>54001 Nancy</s2><s3>FRA</s3><sZ>3 aut.</sZ><sZ>9 aut.</sZ><sZ>10 aut.</sZ><sZ>11 aut.</sZ><sZ>12 aut.</sZ></inist:fA14><country>France</country><placeName><region type="region" nuts="2">Grand Est</region><region type="old region" nuts="2">Lorraine (région)</region><settlement type="city">Nancy</settlement></placeName><orgName type="university">Université de Lorraine</orgName></affiliation></author><author><name sortKey="Felsmann, Daniel" sort="Felsmann, Daniel" uniqKey="Felsmann D" first="Daniel" last="Felsmann">Daniel Felsmann</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Department of Chemistry, Bielefeld University, Universitätsstrasse 25</s1><s2>33615 Bielefeld</s2><s3>DEU</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ><sZ>7 aut.</sZ><sZ>8 aut.</sZ><sZ>13 aut.</sZ></inist:fA14><country>Allemagne</country><wicri:noRegion>33615 Bielefeld</wicri:noRegion><wicri:noRegion>Universitätsstrasse 25</wicri:noRegion><wicri:noRegion>33615 Bielefeld</wicri:noRegion></affiliation></author><author><name sortKey="Osswald, Patrick" sort="Osswald, Patrick" uniqKey="Osswald P" first="Patrick" last="Osswald">Patrick Osswald</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Department of Chemistry, Bielefeld University, Universitätsstrasse 25</s1><s2>33615 Bielefeld</s2><s3>DEU</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ><sZ>7 aut.</sZ><sZ>8 aut.</sZ><sZ>13 aut.</sZ></inist:fA14><country>Allemagne</country><wicri:noRegion>33615 Bielefeld</wicri:noRegion><wicri:noRegion>Universitätsstrasse 25</wicri:noRegion><wicri:noRegion>33615 Bielefeld</wicri:noRegion></affiliation></author><author><name sortKey="Nau, Patrick" sort="Nau, Patrick" uniqKey="Nau P" first="Patrick" last="Nau">Patrick Nau</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Department of Chemistry, Bielefeld University, Universitätsstrasse 25</s1><s2>33615 Bielefeld</s2><s3>DEU</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ><sZ>7 aut.</sZ><sZ>8 aut.</sZ><sZ>13 aut.</sZ></inist:fA14><country>Allemagne</country><wicri:noRegion>33615 Bielefeld</wicri:noRegion><wicri:noRegion>Universitätsstrasse 25</wicri:noRegion><wicri:noRegion>33615 Bielefeld</wicri:noRegion></affiliation></author><author><name sortKey="Koppmann, Julia" sort="Koppmann, Julia" uniqKey="Koppmann J" first="Julia" last="Koppmann">Julia Koppmann</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Department of Chemistry, Bielefeld University, Universitätsstrasse 25</s1><s2>33615 Bielefeld</s2><s3>DEU</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ><sZ>7 aut.</sZ><sZ>8 aut.</sZ><sZ>13 aut.</sZ></inist:fA14><country>Allemagne</country><wicri:noRegion>33615 Bielefeld</wicri:noRegion><wicri:noRegion>Universitätsstrasse 25</wicri:noRegion><wicri:noRegion>33615 Bielefeld</wicri:noRegion></affiliation></author><author><name sortKey="Lackner, Alexander" sort="Lackner, Alexander" uniqKey="Lackner A" first="Alexander" last="Lackner">Alexander Lackner</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Department of Chemistry, Bielefeld University, Universitätsstrasse 25</s1><s2>33615 Bielefeld</s2><s3>DEU</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ><sZ>7 aut.</sZ><sZ>8 aut.</sZ><sZ>13 aut.</sZ></inist:fA14><country>Allemagne</country><wicri:noRegion>33615 Bielefeld</wicri:noRegion><wicri:noRegion>Universitätsstrasse 25</wicri:noRegion><wicri:noRegion>33615 Bielefeld</wicri:noRegion></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="4"><inist:fA14 i1="02"><s1>Laboratoire Reactions et Génie des Procédés (LRGP), CNRS, Université de Lorraine, ENSIC, 1 rue Grandville, BP 20451</s1><s2>54001 Nancy</s2><s3>FRA</s3><sZ>3 aut.</sZ><sZ>9 aut.</sZ><sZ>10 aut.</sZ><sZ>11 aut.</sZ><sZ>12 aut.</sZ></inist:fA14><country>France</country><placeName><region type="region" nuts="2">Grand Est</region><region type="old region" nuts="2">Lorraine (région)</region><settlement type="city">Nancy</settlement></placeName><orgName type="university">Université de Lorraine</orgName></affiliation></author><author><name sortKey="Sirjean, Baptiste" sort="Sirjean, Baptiste" uniqKey="Sirjean B" first="Baptiste" last="Sirjean">Baptiste Sirjean</name><affiliation wicri:level="4"><inist:fA14 i1="02"><s1>Laboratoire Reactions et Génie des Procédés (LRGP), CNRS, Université de Lorraine, ENSIC, 1 rue Grandville, BP 20451</s1><s2>54001 Nancy</s2><s3>FRA</s3><sZ>3 aut.</sZ><sZ>9 aut.</sZ><sZ>10 aut.</sZ><sZ>11 aut.</sZ><sZ>12 aut.</sZ></inist:fA14><country>France</country><placeName><region type="region" nuts="2">Grand Est</region><region type="old region" nuts="2">Lorraine (région)</region><settlement type="city">Nancy</settlement></placeName><orgName type="university">Université de Lorraine</orgName></affiliation></author><author><name sortKey="Fournet, Rene" sort="Fournet, Rene" uniqKey="Fournet R" first="René" last="Fournet">René Fournet</name><affiliation wicri:level="4"><inist:fA14 i1="02"><s1>Laboratoire Reactions et Génie des Procédés (LRGP), CNRS, Université de Lorraine, ENSIC, 1 rue Grandville, BP 20451</s1><s2>54001 Nancy</s2><s3>FRA</s3><sZ>3 aut.</sZ><sZ>9 aut.</sZ><sZ>10 aut.</sZ><sZ>11 aut.</sZ><sZ>12 aut.</sZ></inist:fA14><country>France</country><placeName><region type="region" nuts="2">Grand Est</region><region type="old region" nuts="2">Lorraine (région)</region><settlement type="city">Nancy</settlement></placeName><orgName type="university">Université de Lorraine</orgName></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="4"><inist:fA14 i1="02"><s1>Laboratoire Reactions et Génie des Procédés (LRGP), CNRS, Université de Lorraine, ENSIC, 1 rue Grandville, BP 20451</s1><s2>54001 Nancy</s2><s3>FRA</s3><sZ>3 aut.</sZ><sZ>9 aut.</sZ><sZ>10 aut.</sZ><sZ>11 aut.</sZ><sZ>12 aut.</sZ></inist:fA14><country>France</country><placeName><region type="region" nuts="2">Grand Est</region><region type="old region" nuts="2">Lorraine (région)</region><settlement type="city">Nancy</settlement></placeName><orgName type="university">Université de Lorraine</orgName><placeName><settlement type="city">Nancy</settlement><region type="region" nuts="2">Grand Est</region><region type="region" nuts="2">Lorraine (région)</region></placeName><orgName type="laboratoire" n="5">Laboratoire réactions et génie des procédés</orgName><orgName type="university">Université de Lorraine</orgName><orgName type="institution">Centre national de la recherche scientifique</orgName></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"><inist:fA14 i1="01"><s1>Department of Chemistry, Bielefeld University, Universitätsstrasse 25</s1><s2>33615 Bielefeld</s2><s3>DEU</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ><sZ>7 aut.</sZ><sZ>8 aut.</sZ><sZ>13 aut.</sZ></inist:fA14><country>Allemagne</country><wicri:noRegion>33615 Bielefeld</wicri:noRegion><wicri:noRegion>Universitätsstrasse 25</wicri:noRegion><wicri:noRegion>33615 Bielefeld</wicri:noRegion></affiliation></author></analytic><series><title level="j" type="main">Combustion and flame</title><title level="j" type="abbreviated">Combust. flame</title><idno type="ISSN">0010-2180</idno><imprint><date when="2014">2014</date></imprint></series></biblStruct></sourceDesc><seriesStmt><title level="j" type="main">Combustion and flame</title><title level="j" type="abbreviated">Combust. flame</title><idno type="ISSN">0010-2180</idno></seriesStmt></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Biofuel</term><term>Combustion</term><term>Flame ionization detector</term><term>Flame structure</term><term>Furan</term><term>Furan derivatives</term><term>Gas chromatography</term><term>Kinetic model</term><term>Low pressure</term><term>Mass spectrometry</term><term>Modeling</term><term>Molecular beam</term><term>Operating conditions</term><term>Quantum cascade laser</term><term>Reaction mechanism</term><term>Thermal conductivity detector</term><term>Thermometry</term></keywords><keywords scheme="Pascal" xml:lang="fr"><term>Combustion</term><term>Structure flamme</term><term>Furane</term><term>Dérivé du furane</term><term>Biocarburant</term><term>Mécanisme réaction</term><term>Détecteur ionisation flamme</term><term>Faisceau moléculaire</term><term>Chromatographie phase gazeuse</term><term>Basse pression</term><term>Détecteur conductivité thermique</term><term>Modèle cinétique</term><term>Laser cascade quantique</term><term>Thermométrie</term><term>Spectrométrie masse</term><term>Condition opératoire</term><term>Modélisation</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">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. [Combust. 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.</div></front></TEI><inist><standard h6="B"><pA><fA01 i1="01" i2="1"><s0>0010-2180</s0></fA01><fA02 i1="01"><s0>CBFMAO</s0></fA02><fA03 i2="1"><s0>Combust. flame</s0></fA03><fA05><s2>161</s2></fA05><fA06><s2>3</s2></fA06><fA08 i1="01" i2="1" l="ENG"><s1>Combustion chemistry and flame structure of furan group biofuels using molecular-beam mass spectrometry and gas chromatography - Part I: Furan</s1></fA08><fA09 i1="01" i2="1" l="ENG"><s1>Special Issue on Alternative Fuels</s1></fA09><fA11 i1="01" i2="1"><s1>DONG LIU</s1></fA11><fA11 i1="02" i2="1"><s1>TOGBE (Casimir)</s1></fA11><fA11 i1="03" i2="1"><s1>TRAN (Luc-Sy)</s1></fA11><fA11 i1="04" i2="1"><s1>FELSMANN (Daniel)</s1></fA11><fA11 i1="05" i2="1"><s1>OSSWALD (Patrick)</s1></fA11><fA11 i1="06" i2="1"><s1>NAU (Patrick)</s1></fA11><fA11 i1="07" i2="1"><s1>KOPPMANN (Julia)</s1></fA11><fA11 i1="08" i2="1"><s1>LACKNER (Alexander)</s1></fA11><fA11 i1="09" i2="1"><s1>GLAUDE (Pierre-Alexandre)</s1></fA11><fA11 i1="10" i2="1"><s1>SIRJEAN (Baptiste)</s1></fA11><fA11 i1="11" i2="1"><s1>FOURNET (René)</s1></fA11><fA11 i1="12" i2="1"><s1>BATTIN-LECLERC (Frédérique)</s1></fA11><fA11 i1="13" i2="1"><s1>KOHSE-HÖINGHAUS (Katharina)</s1></fA11><fA12 i1="01" i2="1"><s1>DAGAUT (Philippe)</s1><s9>limin.</s9></fA12><fA12 i1="02" i2="1"><s1>EGOLFOPOULOS (Fokion N.)</s1><s9>limin.</s9></fA12><fA14 i1="01"><s1>Department of Chemistry, Bielefeld University, Universitätsstrasse 25</s1><s2>33615 Bielefeld</s2><s3>DEU</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ><sZ>7 aut.</sZ><sZ>8 aut.</sZ><sZ>13 aut.</sZ></fA14><fA14 i1="02"><s1>Laboratoire Reactions et Génie des Procédés (LRGP), CNRS, Université de Lorraine, ENSIC, 1 rue Grandville, BP 20451</s1><s2>54001 Nancy</s2><s3>FRA</s3><sZ>3 aut.</sZ><sZ>9 aut.</sZ><sZ>10 aut.</sZ><sZ>11 aut.</sZ><sZ>12 aut.</sZ></fA14><fA15 i1="01"><s1>Centre National de la Recherche Scientifique (CNRS-INSIS), 1C, Avenue de la Recherche Scientifique</s1><s2>45071 Orléans</s2><s3>FRA</s3><sZ>1 aut.</sZ></fA15><fA15 i1="02"><s1>Department of Aerospace and Mechanical Engineering, University of Southern California</s1><s2>Los Angeles, CA 90089-1453</s2><s3>USA</s3><sZ>2 aut.</sZ></fA15><fA20><s1>748-765</s1></fA20><fA21><s1>2014</s1></fA21><fA23 i1="01"><s0>ENG</s0></fA23><fA43 i1="01"><s1>INIST</s1><s2>8319</s2><s5>354000506152860100</s5></fA43><fA44><s0>0000</s0><s1>© 2014 INIST-CNRS. All rights reserved.</s1></fA44><fA45><s0>50 ref.</s0></fA45><fA47 i1="01" i2="1"><s0>14-0107769</s0></fA47><fA60><s1>P</s1></fA60><fA61><s0>A</s0></fA61><fA64 i1="01" i2="1"><s0>Combustion and flame</s0></fA64><fA66 i1="01"><s0>NLD</s0></fA66><fC01 i1="01" l="ENG"><s0>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. [Combust. 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.</s0></fC01><fC02 i1="01" i2="X"><s0>001D06D02E3</s0></fC02><fC02 i1="02" i2="X"><s0>230</s0></fC02><fC03 i1="01" i2="X" l="FRE"><s0>Combustion</s0><s5>01</s5></fC03><fC03 i1="01" i2="X" l="ENG"><s0>Combustion</s0><s5>01</s5></fC03><fC03 i1="01" i2="X" l="SPA"><s0>Combustión</s0><s5>01</s5></fC03><fC03 i1="02" i2="X" l="FRE"><s0>Structure flamme</s0><s5>02</s5></fC03><fC03 i1="02" i2="X" l="ENG"><s0>Flame structure</s0><s5>02</s5></fC03><fC03 i1="02" i2="X" l="SPA"><s0>Estructura llama</s0><s5>02</s5></fC03><fC03 i1="03" i2="X" l="FRE"><s0>Furane</s0><s2>NK</s2><s5>03</s5></fC03><fC03 i1="03" i2="X" l="ENG"><s0>Furan</s0><s2>NK</s2><s5>03</s5></fC03><fC03 i1="03" i2="X" l="SPA"><s0>Furano</s0><s2>NK</s2><s5>03</s5></fC03><fC03 i1="04" i2="X" l="FRE"><s0>Dérivé du furane</s0><s5>04</s5></fC03><fC03 i1="04" i2="X" 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quantique</s0><s5>13</s5></fC03><fC03 i1="13" i2="3" l="ENG"><s0>Quantum cascade laser</s0><s5>13</s5></fC03><fC03 i1="14" i2="X" l="FRE"><s0>Thermométrie</s0><s5>14</s5></fC03><fC03 i1="14" i2="X" l="ENG"><s0>Thermometry</s0><s5>14</s5></fC03><fC03 i1="14" i2="X" l="SPA"><s0>Termometría</s0><s5>14</s5></fC03><fC03 i1="15" i2="X" l="FRE"><s0>Spectrométrie masse</s0><s5>15</s5></fC03><fC03 i1="15" i2="X" l="ENG"><s0>Mass spectrometry</s0><s5>15</s5></fC03><fC03 i1="15" i2="X" l="SPA"><s0>Espectrometría masa</s0><s5>15</s5></fC03><fC03 i1="16" i2="X" l="FRE"><s0>Condition opératoire</s0><s5>32</s5></fC03><fC03 i1="16" i2="X" l="ENG"><s0>Operating conditions</s0><s5>32</s5></fC03><fC03 i1="16" i2="X" l="SPA"><s0>Condición operatoria</s0><s5>32</s5></fC03><fC03 i1="17" i2="X" l="FRE"><s0>Modélisation</s0><s5>33</s5></fC03><fC03 i1="17" i2="X" l="ENG"><s0>Modeling</s0><s5>33</s5></fC03><fC03 i1="17" i2="X" l="SPA"><s0>Modelización</s0><s5>33</s5></fC03><fN21><s1>146</s1></fN21></pA></standard></inist><affiliations><list><country><li>Allemagne</li><li>France</li></country><region><li>Grand Est</li><li>Lorraine (région)</li></region><settlement><li>Nancy</li></settlement><orgName><li>Centre national de la recherche scientifique</li><li>Laboratoire réactions et génie des procédés</li><li>Université de Lorraine</li></orgName></list><tree><country name="Allemagne"><noRegion><name sortKey="Dong Liu" sort="Dong Liu" uniqKey="Dong Liu" last="Dong Liu">DONG LIU</name></noRegion><name sortKey="Felsmann, Daniel" sort="Felsmann, Daniel" uniqKey="Felsmann D" first="Daniel" last="Felsmann">Daniel Felsmann</name><name sortKey="Kohse Hoinghaus, Katharina" sort="Kohse Hoinghaus, Katharina" uniqKey="Kohse Hoinghaus K" first="Katharina" last="Kohse-Höinghaus">Katharina Kohse-Höinghaus</name><name sortKey="Koppmann, Julia" sort="Koppmann, Julia" uniqKey="Koppmann J" first="Julia" last="Koppmann">Julia Koppmann</name><name sortKey="Lackner, Alexander" sort="Lackner, Alexander" uniqKey="Lackner A" first="Alexander" last="Lackner">Alexander Lackner</name><name sortKey="Nau, Patrick" sort="Nau, Patrick" uniqKey="Nau P" first="Patrick" last="Nau">Patrick Nau</name><name sortKey="Osswald, Patrick" sort="Osswald, Patrick" uniqKey="Osswald P" first="Patrick" last="Osswald">Patrick Osswald</name><name sortKey="Togbe, Casimir" sort="Togbe, Casimir" uniqKey="Togbe C" first="Casimir" last="Togbe">Casimir Togbe</name></country><country name="France"><region name="Grand Est"><name sortKey="Tran, Luc Sy" sort="Tran, Luc Sy" uniqKey="Tran L" first="Luc-Sy" last="Tran">Luc-Sy Tran</name></region><name sortKey="Battin Leclerc, Frederique" sort="Battin Leclerc, Frederique" uniqKey="Battin Leclerc F" first="Frédérique" last="Battin-Leclerc">Frédérique Battin-Leclerc</name><name sortKey="Fournet, Rene" sort="Fournet, Rene" uniqKey="Fournet R" first="René" last="Fournet">René Fournet</name><name sortKey="Glaude, Pierre Alexandre" sort="Glaude, Pierre Alexandre" uniqKey="Glaude P" first="Pierre-Alexandre" last="Glaude">Pierre-Alexandre Glaude</name><name sortKey="Sirjean, Baptiste" sort="Sirjean, Baptiste" uniqKey="Sirjean B" first="Baptiste" last="Sirjean">Baptiste Sirjean</name></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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