Combustion chemistry and flame structure of furan group biofuels using molecular-beam mass spectrometry and gas chromatography - Part III: 2,5-Dimethylfuran.
Identifieur interne : 000044 ( PubMed/Corpus ); précédent : 000043; suivant : 000045Combustion chemistry and flame structure of furan group biofuels using molecular-beam mass spectrometry and gas chromatography - Part III: 2,5-Dimethylfuran.
Auteurs : Casimir Togbé ; Luc-Sy Tran ; Dong Liu ; Daniel Felsmann ; Patrick O Wald ; Pierre-Alexandre Glaude ; Baptiste Sirjean ; René Fournet ; Frédérique Battin-Leclerc ; Katharina Kohse-HöinghausSource :
- Combustion and flame [ 0010-2180 ] ; 2014.
Abstract
This work is the third part of a study focusing on the combustion chemistry and flame structure of furan and selected alkylated derivatives, i.e. furan in Part I, 2-methylfuran (MF) in Part II, and 2,5-dimethylfuran (DMF) in the present work. Two premixed low-pressure (20 and 40 mbar) flat argon-diluted (50%) flames of DMF were studied with electron-ionization molecular-beam mass spectrometry (EI-MBMS) and gas chromatography (GC) under two equivalence ratios (φ=1.0 and 1.7). Mole fractions of reactants, products, and stable and radical intermediates were measured as a function of the distance to the burner. Kinetic modeling was performed using a reaction mechanism that was further developed in the present series, including Part I and Part II. A reasonable agreement between the present experimental results and the simulation is observed. The main reaction pathways of DMF consumption were derived from a reaction flow analysis. Also, a comparison of the key features for the three flames is presented, as well as a comparison between these flames of furanic compounds and those of other fuels. An a priori surprising ability of DMF to form soot precursors (e.g. 1,3-cyclopentadiene or benzene) compared to less substituted furans and to other fuels has been experimentally observed and is well explained in the model.
DOI: 10.1016/j.combustflame.2013.05.026
PubMed: 24518851
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Part III: 2,5-Dimethylfuran.</title><author><name sortKey="Togbe, Casimir" sort="Togbe, Casimir" uniqKey="Togbe C" first="Casimir" last="Togbé">Casimir Togbé</name><affiliation><nlm:affiliation>Department of Chemistry, Bielefeld University, Universitätsstraße 25, D-33615 Bielefeld, Germany.</nlm:affiliation></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><nlm:affiliation>Laboratoire Réactions et Génie des Procédés (LRGP), CNRS, Université de Lorraine, EN-SIC, 1 rue Grandville, BP 20451, 54001 Nancy Cedex, France.</nlm:affiliation></affiliation></author><author><name sortKey="Liu, Dong" sort="Liu, Dong" uniqKey="Liu D" first="Dong" last="Liu">Dong Liu</name><affiliation><nlm:affiliation>Department of Chemistry, Bielefeld University, Universitätsstraße 25, D-33615 Bielefeld, Germany.</nlm:affiliation></affiliation></author><author><name sortKey="Felsmann, Daniel" sort="Felsmann, Daniel" uniqKey="Felsmann D" first="Daniel" last="Felsmann">Daniel Felsmann</name><affiliation><nlm:affiliation>Department of Chemistry, Bielefeld University, Universitätsstraße 25, D-33615 Bielefeld, Germany.</nlm:affiliation></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><nlm:affiliation>Department of Chemistry, Bielefeld University, Universitätsstraße 25, D-33615 Bielefeld, Germany.</nlm:affiliation></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><nlm:affiliation>Laboratoire Réactions et Génie des Procédés (LRGP), CNRS, Université de Lorraine, EN-SIC, 1 rue Grandville, BP 20451, 54001 Nancy Cedex, France.</nlm:affiliation></affiliation></author><author><name sortKey="Sirjean, Baptiste" sort="Sirjean, Baptiste" uniqKey="Sirjean B" first="Baptiste" last="Sirjean">Baptiste Sirjean</name><affiliation><nlm:affiliation>Laboratoire Réactions et Génie des Procédés (LRGP), CNRS, Université de Lorraine, EN-SIC, 1 rue Grandville, BP 20451, 54001 Nancy Cedex, France.</nlm:affiliation></affiliation></author><author><name sortKey="Fournet, Rene" sort="Fournet, Rene" uniqKey="Fournet R" first="René" last="Fournet">René Fournet</name><affiliation><nlm:affiliation>Laboratoire Réactions et Génie des Procédés (LRGP), CNRS, Université de Lorraine, EN-SIC, 1 rue Grandville, BP 20451, 54001 Nancy Cedex, France.</nlm:affiliation></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><nlm:affiliation>Laboratoire Réactions et Génie des Procédés (LRGP), CNRS, Université de Lorraine, EN-SIC, 1 rue Grandville, BP 20451, 54001 Nancy Cedex, France.</nlm:affiliation></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><nlm:affiliation>Department of Chemistry, Bielefeld University, Universitätsstraße 25, D-33615 Bielefeld, Germany.</nlm:affiliation></affiliation></author></analytic><series><title level="j">Combustion and flame</title><idno type="ISSN">0010-2180</idno><imprint><date when="2014" type="published">2014</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">This work is the third part of a study focusing on the combustion chemistry and flame structure of furan and selected alkylated derivatives, i.e. furan in Part I, 2-methylfuran (MF) in Part II, and 2,5-dimethylfuran (DMF) in the present work. Two premixed low-pressure (20 and 40 mbar) flat argon-diluted (50%) flames of DMF were studied with electron-ionization molecular-beam mass spectrometry (EI-MBMS) and gas chromatography (GC) under two equivalence ratios (φ=1.0 and 1.7). Mole fractions of reactants, products, and stable and radical intermediates were measured as a function of the distance to the burner. Kinetic modeling was performed using a reaction mechanism that was further developed in the present series, including Part I and Part II. A reasonable agreement between the present experimental results and the simulation is observed. The main reaction pathways of DMF consumption were derived from a reaction flow analysis. Also, a comparison of the key features for the three flames is presented, as well as a comparison between these flames of furanic compounds and those of other fuels. An a priori surprising ability of DMF to form soot precursors (e.g. 1,3-cyclopentadiene or benzene) compared to less substituted furans and to other fuels has been experimentally observed and is well explained in the model.</div></front></TEI><pubmed><MedlineCitation Status="Publisher" Owner="NLM"><PMID Version="1">24518851</PMID><DateCreated><Year>2014</Year><Month>2</Month><Day>12</Day></DateCreated><DateRevised><Year>2015</Year><Month>9</Month><Day>1</Day></DateRevised><Article PubModel="Print"><Journal><ISSN IssnType="Print">0010-2180</ISSN><JournalIssue CitedMedium="Print"><Volume>161</Volume><Issue>3</Issue><PubDate><Year>2014</Year><Month>Mar</Month><Day>1</Day></PubDate></JournalIssue><Title>Combustion and flame</Title><ISOAbbreviation>Combust Flame</ISOAbbreviation></Journal><ArticleTitle>Combustion chemistry and flame structure of furan group biofuels using molecular-beam mass spectrometry and gas chromatography - Part III: 2,5-Dimethylfuran.</ArticleTitle><Pagination><MedlinePgn>780-797</MedlinePgn></Pagination><Abstract><AbstractText>This work is the third part of a study focusing on the combustion chemistry and flame structure of furan and selected alkylated derivatives, i.e. furan in Part I, 2-methylfuran (MF) in Part II, and 2,5-dimethylfuran (DMF) in the present work. Two premixed low-pressure (20 and 40 mbar) flat argon-diluted (50%) flames of DMF were studied with electron-ionization molecular-beam mass spectrometry (EI-MBMS) and gas chromatography (GC) under two equivalence ratios (φ=1.0 and 1.7). Mole fractions of reactants, products, and stable and radical intermediates were measured as a function of the distance to the burner. Kinetic modeling was performed using a reaction mechanism that was further developed in the present series, including Part I and Part II. A reasonable agreement between the present experimental results and the simulation is observed. The main reaction pathways of DMF consumption were derived from a reaction flow analysis. Also, a comparison of the key features for the three flames is presented, as well as a comparison between these flames of furanic compounds and those of other fuels. An a priori surprising ability of DMF to form soot precursors (e.g. 1,3-cyclopentadiene or benzene) compared to less substituted furans and to other fuels has been experimentally observed and is well explained in the model.</AbstractText></Abstract><AuthorList><Author><LastName>Togbé</LastName><ForeName>Casimir</ForeName><Initials>C</Initials><AffiliationInfo><Affiliation>Department of Chemistry, Bielefeld University, Universitätsstraße 25, D-33615 Bielefeld, Germany.</Affiliation></AffiliationInfo></Author><Author><LastName>Tran</LastName><ForeName>Luc-Sy</ForeName><Initials>LS</Initials><AffiliationInfo><Affiliation>Laboratoire Réactions et Génie des Procédés (LRGP), CNRS, Université de Lorraine, EN-SIC, 1 rue Grandville, BP 20451, 54001 Nancy Cedex, France.</Affiliation></AffiliationInfo></Author><Author><LastName>Liu</LastName><ForeName>Dong</ForeName><Initials>D</Initials><AffiliationInfo><Affiliation>Department of Chemistry, Bielefeld University, Universitätsstraße 25, D-33615 Bielefeld, Germany.</Affiliation></AffiliationInfo></Author><Author><LastName>Felsmann</LastName><ForeName>Daniel</ForeName><Initials>D</Initials><AffiliationInfo><Affiliation>Department of Chemistry, Bielefeld University, Universitätsstraße 25, D-33615 Bielefeld, Germany.</Affiliation></AffiliationInfo></Author><Author><LastName>Oßwald</LastName><ForeName>Patrick</ForeName><Initials>P</Initials><AffiliationInfo><Affiliation>Department of Chemistry, Bielefeld University, Universitätsstraße 25, D-33615 Bielefeld, Germany.</Affiliation></AffiliationInfo></Author><Author><LastName>Glaude</LastName><ForeName>Pierre-Alexandre</ForeName><Initials>PA</Initials><AffiliationInfo><Affiliation>Laboratoire Réactions et Génie des Procédés (LRGP), CNRS, Université de Lorraine, EN-SIC, 1 rue Grandville, BP 20451, 54001 Nancy Cedex, France.</Affiliation></AffiliationInfo></Author><Author><LastName>Sirjean</LastName><ForeName>Baptiste</ForeName><Initials>B</Initials><AffiliationInfo><Affiliation>Laboratoire Réactions et Génie des Procédés (LRGP), CNRS, Université de Lorraine, EN-SIC, 1 rue Grandville, BP 20451, 54001 Nancy Cedex, France.</Affiliation></AffiliationInfo></Author><Author><LastName>Fournet</LastName><ForeName>René</ForeName><Initials>R</Initials><AffiliationInfo><Affiliation>Laboratoire Réactions et Génie des Procédés (LRGP), CNRS, Université de Lorraine, EN-SIC, 1 rue Grandville, BP 20451, 54001 Nancy Cedex, France.</Affiliation></AffiliationInfo></Author><Author><LastName>Battin-Leclerc</LastName><ForeName>Frédérique</ForeName><Initials>F</Initials><AffiliationInfo><Affiliation>Laboratoire Réactions et Génie des Procédés (LRGP), CNRS, Université de Lorraine, EN-SIC, 1 rue Grandville, BP 20451, 54001 Nancy Cedex, France.</Affiliation></AffiliationInfo></Author><Author><LastName>Kohse-Höinghaus</LastName><ForeName>Katharina</ForeName><Initials>K</Initials><AffiliationInfo><Affiliation>Department of Chemistry, Bielefeld University, Universitätsstraße 25, D-33615 Bielefeld, Germany.</Affiliation></AffiliationInfo></Author></AuthorList><Language>ENG</Language><GrantList><Grant><GrantID>227669</GrantID><Agency>European Research Council</Agency><Country>International</Country></Grant></GrantList><PublicationTypeList><PublicationType UI="">JOURNAL ARTICLE</PublicationType></PublicationTypeList></Article><MedlineJournalInfo><MedlineTA>Combust Flame</MedlineTA><NlmUniqueID>9891739</NlmUniqueID><ISSNLinking>0010-2180</ISSNLinking></MedlineJournalInfo><KeywordList Owner="NOTNLM"><Keyword MajorTopicYN="N">2,5-dimethylfuran</Keyword><Keyword MajorTopicYN="N">gas chromatography</Keyword><Keyword MajorTopicYN="N">low-pressure flame</Keyword><Keyword MajorTopicYN="N">model</Keyword><Keyword MajorTopicYN="N">molecular-beam mass spectrometry</Keyword><Keyword MajorTopicYN="N">reaction flow analysis</Keyword><Keyword MajorTopicYN="N">reaction mechanism</Keyword></KeywordList></MedlineCitation><PubmedData><History><PubMedPubDate PubStatus="entrez"><Year>2014</Year><Month>2</Month><Day>13</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate><PubMedPubDate PubStatus="pubmed"><Year>2014</Year><Month>2</Month><Day>13</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate><PubMedPubDate PubStatus="medline"><Year>2014</Year><Month>2</Month><Day>13</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate></History><PublicationStatus>ppublish</PublicationStatus><ArticleIdList><ArticleId IdType="doi">10.1016/j.combustflame.2013.05.026</ArticleId><ArticleId IdType="pubmed">24518851</ArticleId><ArticleId IdType="pmc">PMC3837207</ArticleId><ArticleId IdType="mid">EMS54902</ArticleId></ArticleIdList><pmc-dir>nihms</pmc-dir>
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