Experimental and modeling study of the oxidation of isobutene
Identifieur interne : 000167 ( Istex/Corpus ); précédent : 000166; suivant : 000168Experimental and modeling study of the oxidation of isobutene
Auteurs : J. C. Bauge ; F. Battin-Leclerc ; F. BaronnetSource :
- International Journal of Chemical Kinetics [ 0538-8066 ] ; 1998.
English descriptors
- KwdEn :
- Allene, Baronnet, Baronnet table, Batch bauge, Bauge, Carbon atoms, Carbon dioxide, Carbon monoxide, Ch2co, Ch2o, Chem, Equivalence ratio, Exgas, Exgas exgas exgas, Experimental data, Fuel equivalence ratios, Helium oxygen isobutene, Ignition delays, Isba, Isobutene, Isobutenyl, Isobutenyl radicals, Isobutyl radicals, Isobutyraldehyde, Ispr, Kinetic data, Kingas, Long right batch oxidation, Macr, Metathesis, Partial pressures, Phys, Primary mechanism, Propene, Richest mixtures, Risb, Secondary mechanism, Secondary reactions, Shock tube, Shock wave, Shock waves, Space time, Tted, Unimolecular.
- Teeft :
- Allene, Baronnet, Baronnet table, Batch bauge, Bauge, Carbon atoms, Carbon dioxide, Carbon monoxide, Ch2co, Ch2o, Chem, Equivalence ratio, Exgas, Exgas exgas exgas, Experimental data, Fuel equivalence ratios, Helium oxygen isobutene, Ignition delays, Isba, Isobutene, Isobutenyl, Isobutenyl radicals, Isobutyl radicals, Isobutyraldehyde, Ispr, Kinetic data, Kingas, Long right batch oxidation, Macr, Metathesis, Partial pressures, Phys, Primary mechanism, Propene, Richest mixtures, Risb, Secondary mechanism, Secondary reactions, Shock tube, Shock wave, Shock waves, Space time, Tted, Unimolecular.
Abstract
This article describes an experimental and modeling study of the oxidation of isobutene. The low‐temperature oxidation was studied in a continuous‐flow stirred‐tank reactor operated at constant temperature (from 833 to 913 K) and pressure (1 atm), with fuel equivalence ratios from 3 to 6 and space times ranging from 1 to 10 s corresponding to isobutene conversion yields from 1 to 50%. The main carbon containing products were analyzed by gas chromatography. The ignition delays of isobutene‐oxygen‐argon mixtures with fuel equivalence ratios from 1 to 3 were measured behind shock waves. Reflected shock waves permitted to obtain temperatures from 1230 to 1930 K and pressures from 9.5 to 10.5 atm. A mechanism has been proposed to reproduce the profiles obtained for the reactants consumption and the products formation during the slow oxidation and to compute the ignition delays in the shock tube. Simulations were performed using CHEMKIN II. A correct agreement between the simulated values and the experimental data has been obtained in both apparatuses. The main reaction paths have been determined for both series of measurements by a sensitivity and rate of production analysis. © 1998 John Wiley & Sons, Inc. Int J Chem Kinet 30: 629–640, 1998
Url:
DOI: 10.1002/(SICI)1097-4601(1998)30:9<629::AID-KIN4>3.0.CO;2-U
Links to Exploration step
ISTEX:F6C8E3A5769D12A6FDADB84E8107783AA985FE15Le document en format XML
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The low‐temperature oxidation was studied in a continuous‐flow stirred‐tank reactor operated at constant temperature (from 833 to 913 K) and pressure (1 atm), with fuel equivalence ratios from 3 to 6 and space times ranging from 1 to 10 s corresponding to isobutene conversion yields from 1 to 50%. The main carbon containing products were analyzed by gas chromatography. The ignition delays of isobutene‐oxygen‐argon mixtures with fuel equivalence ratios from 1 to 3 were measured behind shock waves. Reflected shock waves permitted to obtain temperatures from 1230 to 1930 K and pressures from 9.5 to 10.5 atm. A mechanism has been proposed to reproduce the profiles obtained for the reactants consumption and the products formation during the slow oxidation and to compute the ignition delays in the shock tube. Simulations were performed using CHEMKIN II. A correct agreement between the simulated values and the experimental data has been obtained in both apparatuses. The main reaction paths have been determined for both series of measurements by a sensitivity and rate of production analysis. © 1998 John Wiley & Sons, Inc. 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Baronnet</name><affiliations><json:string>Département de Chimie Physique des Réactions, UMR 7630 CNRS, INPL‐ENSIC, 1 rue Grandville‐BP 451‐54001 Nancy Cedex, France</json:string></affiliations></json:item></author><articleId><json:string>KIN4</json:string></articleId><language><json:string>eng</json:string></language><originalGenre><json:string>article</json:string></originalGenre><abstract>This article describes an experimental and modeling study of the oxidation of isobutene. The low‐temperature oxidation was studied in a continuous‐flow stirred‐tank reactor operated at constant temperature (from 833 to 913 K) and pressure (1 atm), with fuel equivalence ratios from 3 to 6 and space times ranging from 1 to 10 s corresponding to isobutene conversion yields from 1 to 50%. The main carbon containing products were analyzed by gas chromatography. The ignition delays of isobutene‐oxygen‐argon mixtures with fuel equivalence ratios from 1 to 3 were measured behind shock waves. Reflected shock waves permitted to obtain temperatures from 1230 to 1930 K and pressures from 9.5 to 10.5 atm. A mechanism has been proposed to reproduce the profiles obtained for the reactants consumption and the products formation during the slow oxidation and to compute the ignition delays in the shock tube. Simulations were performed using CHEMKIN II. A correct agreement between the simulated values and the experimental data has been obtained in both apparatuses. The main reaction paths have been determined for both series of measurements by a sensitivity and rate of production analysis. © 1998 John Wiley & Sons, Inc. 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C.</forename><surname>Bauge</surname></persName><affiliation>Département de Chimie Physique des Réactions, UMR 7630 CNRS, INPL‐ENSIC, 1 rue Grandville‐BP 451‐54001 Nancy Cedex, France<address><country key="FR"></country></address></affiliation></author><author xml:id="author-0001" role="corresp"><persName><forename type="first">F.</forename><surname>Battin‐Leclerc</surname></persName><affiliation>Département de Chimie Physique des Réactions, UMR 7630 CNRS, INPL‐ENSIC, 1 rue Grandville‐BP 451‐54001 Nancy Cedex, France<address><country key="FR"></country></address></affiliation><affiliation>Département de Chimie Physique des Réactions, UMR 7630 CNRS, INPL‐ENSIC, 1 rue Grandville‐BP 451‐54001 Nancy Cedex, France</affiliation></author><author xml:id="author-0002"><persName><forename type="first">F.</forename><surname>Baronnet</surname></persName><affiliation>Département de Chimie Physique des Réactions, UMR 7630 CNRS, INPL‐ENSIC, 1 rue Grandville‐BP 451‐54001 Nancy Cedex, France<address><country key="FR"></country></address></affiliation></author><idno type="istex">F6C8E3A5769D12A6FDADB84E8107783AA985FE15</idno><idno type="ark">ark:/67375/WNG-HBN4V23V-V</idno><idno type="DOI">10.1002/(SICI)1097-4601(1998)30:9<629::AID-KIN4>3.0.CO;2-U</idno><idno type="unit">KIN4</idno><idno type="toTypesetVersion">file:KIN.KIN4.pdf</idno></analytic><monogr><title level="j" type="main">International Journal of Chemical Kinetics</title><title level="j" type="alt">INTERNATIONAL JOURNAL OF CHEMICAL KINETICS</title><idno type="pISSN">0538-8066</idno><idno type="eISSN">1097-4601</idno><idno type="book-DOI">10.1002/(ISSN)1097-4601</idno><idno type="book-part-DOI">10.1002/(SICI)1097-4601(1998)30:9<>1.0.CO;2-B</idno><idno type="product">KIN</idno><imprint><biblScope unit="vol">30</biblScope><biblScope unit="issue">9</biblScope><biblScope unit="page" from="629">629</biblScope><biblScope unit="page" to="640">640</biblScope><biblScope unit="page-count">12</biblScope><publisher>John Wiley & Sons, Inc.</publisher><pubPlace>New York</pubPlace><date type="published" when="1998"></date></imprint></monogr></biblStruct></sourceDesc></fileDesc><profileDesc><abstract xml:lang="en" style="main"><head>Abstract</head><p>This article describes an experimental and modeling study of the oxidation of isobutene. The low‐temperature oxidation was studied in a continuous‐flow stirred‐tank reactor operated at constant temperature (from 833 to 913 K) and pressure (1 atm), with fuel equivalence ratios from 3 to 6 and space times ranging from 1 to 10 s corresponding to isobutene conversion yields from 1 to 50%. The main carbon containing products were analyzed by gas chromatography. The ignition delays of isobutene‐oxygen‐argon mixtures with fuel equivalence ratios from 1 to 3 were measured behind shock waves. Reflected shock waves permitted to obtain temperatures from 1230 to 1930 K and pressures from 9.5 to 10.5 atm.</p><p>A mechanism has been proposed to reproduce the profiles obtained for the reactants consumption and the products formation during the slow oxidation and to compute the ignition delays in the shock tube. Simulations were performed using CHEMKIN II. A correct agreement between the simulated values and the experimental data has been obtained in both apparatuses. The main reaction paths have been determined for both series of measurements by a sensitivity and rate of production analysis. © 1998 John Wiley & Sons, Inc. Int J Chem Kinet 30: 629–640, 1998</p></abstract><langUsage><language ident="en"></language></langUsage></profileDesc></teiHeader></istex:fulltextTEI><json:item><extension>txt</extension><original>false</original><mimetype>text/plain</mimetype><uri>https://api.istex.fr/document/F6C8E3A5769D12A6FDADB84E8107783AA985FE15/fulltext/txt</uri></json:item></fulltext><metadata><istex:metadataXml wicri:clean="Wiley component found"><istex:xmlDeclaration>version="1.0" encoding="UTF-8" standalone="yes"</istex:xmlDeclaration><istex:document><component version="2.0" type="serialArticle" xml:lang="en"><header><publicationMeta level="product"><publisherInfo><publisherName>John Wiley & Sons, Inc.</publisherName><publisherLoc>New York</publisherLoc></publisherInfo><doi registered="yes">10.1002/(ISSN)1097-4601</doi><issn type="print">0538-8066</issn><issn type="electronic">1097-4601</issn><idGroup><id type="product" value="KIN"></id></idGroup><titleGroup><title type="main" xml:lang="en" sort="INTERNATIONAL JOURNAL OF CHEMICAL KINETICS">International Journal of Chemical Kinetics</title><title type="short">Int. 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C.</givenNames><familyName>Bauge</familyName></personName></creator><creator xml:id="au2" creatorRole="author" affiliationRef="#af1" corresponding="yes"><personName><givenNames>F.</givenNames><familyName>Battin‐Leclerc</familyName></personName></creator><creator xml:id="au3" creatorRole="author" affiliationRef="#af1"><personName><givenNames>F.</givenNames><familyName>Baronnet</familyName></personName></creator></creators><affiliationGroup><affiliation xml:id="af1" countryCode="FR" type="organization"><unparsedAffiliation>Département de Chimie Physique des Réactions, UMR 7630 CNRS, INPL‐ENSIC, 1 rue Grandville‐BP 451‐54001 Nancy Cedex, France</unparsedAffiliation></affiliation></affiliationGroup><abstractGroup><abstract type="main" xml:lang="en"><title type="main">Abstract</title><p>This article describes an experimental and modeling study of the oxidation of isobutene. The low‐temperature oxidation was studied in a continuous‐flow stirred‐tank reactor operated at constant temperature (from 833 to 913 K) and pressure (1 atm), with fuel equivalence ratios from 3 to 6 and space times ranging from 1 to 10 s corresponding to isobutene conversion yields from 1 to 50%. The main carbon containing products were analyzed by gas chromatography. The ignition delays of isobutene‐oxygen‐argon mixtures with fuel equivalence ratios from 1 to 3 were measured behind shock waves. Reflected shock waves permitted to obtain temperatures from 1230 to 1930 K and pressures from 9.5 to 10.5 atm.</p><p>A mechanism has been proposed to reproduce the profiles obtained for the reactants consumption and the products formation during the slow oxidation and to compute the ignition delays in the shock tube. Simulations were performed using CHEMKIN II. A correct agreement between the simulated values and the experimental data has been obtained in both apparatuses. The main reaction paths have been determined for both series of measurements by a sensitivity and rate of production analysis. © 1998 John Wiley & Sons, Inc. Int J Chem Kinet 30: 629–640, 1998</p></abstract></abstractGroup></contentMeta></header></component></istex:document></istex:metadataXml><mods version="3.6"><titleInfo lang="en"><title>Experimental and modeling study of the oxidation of isobutene</title></titleInfo><titleInfo type="alternative" contentType="CDATA" lang="en"><title>Experimental and modeling study of the oxidation of isobutene</title></titleInfo><name type="personal"><namePart type="given">J. C.</namePart><namePart type="family">Bauge</namePart><affiliation>Département de Chimie Physique des Réactions, UMR 7630 CNRS, INPL‐ENSIC, 1 rue Grandville‐BP 451‐54001 Nancy Cedex, France</affiliation><role><roleTerm type="text">author</roleTerm></role></name><name type="personal"><namePart type="given">F.</namePart><namePart type="family">Battin‐Leclerc</namePart><affiliation>Département de Chimie Physique des Réactions, UMR 7630 CNRS, INPL‐ENSIC, 1 rue Grandville‐BP 451‐54001 Nancy Cedex, France</affiliation><affiliation>Correspondence address: Département de Chimie Physique des Réactions, UMR 7630 CNRS, INPL‐ENSIC, 1 rue Grandville‐BP 451‐54001 Nancy Cedex, France</affiliation><role><roleTerm type="text">author</roleTerm></role></name><name type="personal"><namePart type="given">F.</namePart><namePart type="family">Baronnet</namePart><affiliation>Département de Chimie Physique des Réactions, UMR 7630 CNRS, INPL‐ENSIC, 1 rue Grandville‐BP 451‐54001 Nancy Cedex, France</affiliation><role><roleTerm type="text">author</roleTerm></role></name><typeOfResource>text</typeOfResource><genre type="article" displayLabel="article" authority="ISTEX" authorityURI="https://content-type.data.istex.fr" valueURI="https://content-type.data.istex.fr/ark:/67375/XTP-6N5SZHKN-D">article</genre><originInfo><publisher>John Wiley & Sons, Inc.</publisher><place><placeTerm type="text">New York</placeTerm></place><dateIssued encoding="w3cdtf">1998</dateIssued><dateCaptured encoding="w3cdtf">1997-03-31</dateCaptured><dateValid encoding="w3cdtf">1997-09-16</dateValid><copyrightDate encoding="w3cdtf">1998</copyrightDate></originInfo><language><languageTerm type="code" authority="rfc3066">en</languageTerm><languageTerm type="code" authority="iso639-2b">eng</languageTerm></language><physicalDescription><extent unit="figures">6</extent><extent unit="tables">3</extent><extent unit="references">21</extent><extent unit="words">5104</extent></physicalDescription><abstract lang="en">This article describes an experimental and modeling study of the oxidation of isobutene. The low‐temperature oxidation was studied in a continuous‐flow stirred‐tank reactor operated at constant temperature (from 833 to 913 K) and pressure (1 atm), with fuel equivalence ratios from 3 to 6 and space times ranging from 1 to 10 s corresponding to isobutene conversion yields from 1 to 50%. The main carbon containing products were analyzed by gas chromatography. The ignition delays of isobutene‐oxygen‐argon mixtures with fuel equivalence ratios from 1 to 3 were measured behind shock waves. Reflected shock waves permitted to obtain temperatures from 1230 to 1930 K and pressures from 9.5 to 10.5 atm. A mechanism has been proposed to reproduce the profiles obtained for the reactants consumption and the products formation during the slow oxidation and to compute the ignition delays in the shock tube. Simulations were performed using CHEMKIN II. A correct agreement between the simulated values and the experimental data has been obtained in both apparatuses. The main reaction paths have been determined for both series of measurements by a sensitivity and rate of production analysis. © 1998 John Wiley & Sons, Inc. Int J Chem Kinet 30: 629–640, 1998</abstract><relatedItem type="host"><titleInfo><title>International Journal of Chemical Kinetics</title></titleInfo><titleInfo type="abbreviated"><title>Int. J. Chem. Kinet.</title></titleInfo><genre type="journal" authority="ISTEX" authorityURI="https://publication-type.data.istex.fr" valueURI="https://publication-type.data.istex.fr/ark:/67375/JMC-0GLKJH51-B">journal</genre><identifier type="ISSN">0538-8066</identifier><identifier type="eISSN">1097-4601</identifier><identifier type="DOI">10.1002/(ISSN)1097-4601</identifier><identifier type="PublisherID">KIN</identifier><part><date>1998</date><detail type="volume"><caption>vol.</caption><number>30</number></detail><detail type="issue"><caption>no.</caption><number>9</number></detail><extent unit="pages"><start>629</start><end>640</end><total>12</total></extent></part></relatedItem><identifier type="istex">F6C8E3A5769D12A6FDADB84E8107783AA985FE15</identifier><identifier type="ark">ark:/67375/WNG-HBN4V23V-V</identifier><identifier type="DOI">10.1002/(SICI)1097-4601(1998)30:9<629::AID-KIN4>3.0.CO;2-U</identifier><identifier type="ArticleID">KIN4</identifier><accessCondition type="use and reproduction" contentType="copyright">Copyright © 1998 John Wiley & Sons, Inc.</accessCondition><recordInfo><recordContentSource authority="ISTEX" authorityURI="https://loaded-corpus.data.istex.fr" valueURI="https://loaded-corpus.data.istex.fr/ark:/67375/XBH-L0C46X92-X">wiley</recordContentSource><recordOrigin>John Wiley & Sons, Inc.</recordOrigin></recordInfo></mods><json:item><extension>json</extension><original>false</original><mimetype>application/json</mimetype><uri>https://api.istex.fr/document/F6C8E3A5769D12A6FDADB84E8107783AA985FE15/metadata/json</uri></json:item></metadata><serie></serie></istex></record>Pour manipuler ce document sous Unix (Dilib)
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