Kinetic modeling for chemiluminescent radicals in acetylene combustion

Detalhes bibliográficos
Autor(a) principal: Marques,Carla S. T.
Data de Publicação: 2006
Outros Autores: Benvenutti,Leandro H., Bertran,Celso A.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Journal of the Brazilian Chemical Society (Online)
Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532006000200013
Resumo: Kinetic modeling to reproduce the experimental chemiluminescence of OH*, CHO*, CH* and C2* excited radicals formed in C2H2/O2 combustion in a closed chamber was evaluated. A reaction mechanism with 37 species and 106 elementary reactions for C2H2/O2 combustion at phi=1.00 and phi=1.62 was validated through chemiluminescence measurements, where formation and decay reactions of excited radicals are included. KINAL package was used for simulations. Ordinary differential equations were solved by the DIFF program and production rate analysis were acquired by the ROPA program. There was good agreement between experimental and simulated chemiluminescence profiles of all radicals for both combustions. The results showed CH has a meaningful role in the production of excited radicals. Reactions: H + O2 = OH* + O; CH + O = CHO*; C2H + O2 = CH* + CO2 and CH2 + C = C2* + H2 were the main reactions paths used to reproduce the experimental profiles.
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spelling Kinetic modeling for chemiluminescent radicals in acetylene combustionreaction mechanismchemiluminescenceacetylenecombustionclosed chamberKinetic modeling to reproduce the experimental chemiluminescence of OH*, CHO*, CH* and C2* excited radicals formed in C2H2/O2 combustion in a closed chamber was evaluated. A reaction mechanism with 37 species and 106 elementary reactions for C2H2/O2 combustion at phi=1.00 and phi=1.62 was validated through chemiluminescence measurements, where formation and decay reactions of excited radicals are included. KINAL package was used for simulations. Ordinary differential equations were solved by the DIFF program and production rate analysis were acquired by the ROPA program. There was good agreement between experimental and simulated chemiluminescence profiles of all radicals for both combustions. The results showed CH has a meaningful role in the production of excited radicals. Reactions: H + O2 = OH* + O; CH + O = CHO*; C2H + O2 = CH* + CO2 and CH2 + C = C2* + H2 were the main reactions paths used to reproduce the experimental profiles.Sociedade Brasileira de Química2006-04-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532006000200013Journal of the Brazilian Chemical Society v.17 n.2 2006reponame:Journal of the Brazilian Chemical Society (Online)instname:Sociedade Brasileira de Química (SBQ)instacron:SBQ10.1590/S0103-50532006000200013info:eu-repo/semantics/openAccessMarques,Carla S. T.Benvenutti,Leandro H.Bertran,Celso A.eng2006-04-17T00:00:00Zoai:scielo:S0103-50532006000200013Revistahttp://jbcs.sbq.org.brONGhttps://old.scielo.br/oai/scielo-oai.php||office@jbcs.sbq.org.br1678-47900103-5053opendoar:2006-04-17T00:00Journal of the Brazilian Chemical Society (Online) - Sociedade Brasileira de Química (SBQ)false
dc.title.none.fl_str_mv Kinetic modeling for chemiluminescent radicals in acetylene combustion
title Kinetic modeling for chemiluminescent radicals in acetylene combustion
spellingShingle Kinetic modeling for chemiluminescent radicals in acetylene combustion
Marques,Carla S. T.
reaction mechanism
chemiluminescence
acetylene
combustion
closed chamber
title_short Kinetic modeling for chemiluminescent radicals in acetylene combustion
title_full Kinetic modeling for chemiluminescent radicals in acetylene combustion
title_fullStr Kinetic modeling for chemiluminescent radicals in acetylene combustion
title_full_unstemmed Kinetic modeling for chemiluminescent radicals in acetylene combustion
title_sort Kinetic modeling for chemiluminescent radicals in acetylene combustion
author Marques,Carla S. T.
author_facet Marques,Carla S. T.
Benvenutti,Leandro H.
Bertran,Celso A.
author_role author
author2 Benvenutti,Leandro H.
Bertran,Celso A.
author2_role author
author
dc.contributor.author.fl_str_mv Marques,Carla S. T.
Benvenutti,Leandro H.
Bertran,Celso A.
dc.subject.por.fl_str_mv reaction mechanism
chemiluminescence
acetylene
combustion
closed chamber
topic reaction mechanism
chemiluminescence
acetylene
combustion
closed chamber
description Kinetic modeling to reproduce the experimental chemiluminescence of OH*, CHO*, CH* and C2* excited radicals formed in C2H2/O2 combustion in a closed chamber was evaluated. A reaction mechanism with 37 species and 106 elementary reactions for C2H2/O2 combustion at phi=1.00 and phi=1.62 was validated through chemiluminescence measurements, where formation and decay reactions of excited radicals are included. KINAL package was used for simulations. Ordinary differential equations were solved by the DIFF program and production rate analysis were acquired by the ROPA program. There was good agreement between experimental and simulated chemiluminescence profiles of all radicals for both combustions. The results showed CH has a meaningful role in the production of excited radicals. Reactions: H + O2 = OH* + O; CH + O = CHO*; C2H + O2 = CH* + CO2 and CH2 + C = C2* + H2 were the main reactions paths used to reproduce the experimental profiles.
publishDate 2006
dc.date.none.fl_str_mv 2006-04-01
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532006000200013
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532006000200013
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 10.1590/S0103-50532006000200013
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv text/html
dc.publisher.none.fl_str_mv Sociedade Brasileira de Química
publisher.none.fl_str_mv Sociedade Brasileira de Química
dc.source.none.fl_str_mv Journal of the Brazilian Chemical Society v.17 n.2 2006
reponame:Journal of the Brazilian Chemical Society (Online)
instname:Sociedade Brasileira de Química (SBQ)
instacron:SBQ
instname_str Sociedade Brasileira de Química (SBQ)
instacron_str SBQ
institution SBQ
reponame_str Journal of the Brazilian Chemical Society (Online)
collection Journal of the Brazilian Chemical Society (Online)
repository.name.fl_str_mv Journal of the Brazilian Chemical Society (Online) - Sociedade Brasileira de Química (SBQ)
repository.mail.fl_str_mv ||office@jbcs.sbq.org.br
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