Shock wave study and theoretical modeling of the thermal decomposition of c-C4F8

Autores
Cobos, Carlos Jorge; Hintzer, K.; Sölter, L.; Tellbach, E.; Thaler, A.; Troe, J.
Año de publicación
2015
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The thermal dissociation of octafluorocyclobutane, c-C4F8, was studied in shock waves over the range 1150-2300 K by recording UV absorption signals of CF2. It was found that the primary reaction nearly exclusively produces 2 C2F4 which afterwards decomposes to 4 CF2. A primary reaction leading to CF2 + C3F6 is not detected (an upper limit to the yield of the latter channel was found to be about 10 percent). The temperature range of earlier single pulse shock wave experiments was extended. The reaction was shown to be close to its high pressure limit. Combining high and low temperature results leads to a rate constant for the primary dissociation of k1 = 1015.97 exp(-310.5 kJ mol-1/RT) s-1 in the range 630-1330 K, over which k1 varies over nearly 14 orders of magnitude. Calculations of the energetics of the reaction pathway and the rate constants support the conclusions from the experiments. Also they shed light on the role of the 1,4-biradical CF2CF2CF2CF2 as an intermediate of the reaction.
Fil: Cobos, Carlos Jorge. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina
Fil: Hintzer, K.. Dyneon Gmbh; Alemania
Fil: Sölter, L.. Universität Göttingen; Alemania
Fil: Tellbach, E.. Universität Göttingen; Alemania
Fil: Thaler, A.. Dyneon Gmbh; Alemania
Fil: Troe, J.. Universität Göttingen; Alemania. Max-Planck-Institut fu¨r biophysikalische Chemie; Alemania
Materia
-
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/81022
Acceder
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spelling Shock wave study and theoretical modeling of the thermal decomposition of c-C4F8Cobos, Carlos JorgeHintzer, K.Sölter, L.Tellbach, E.Thaler, A.Troe, J.-https://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The thermal dissociation of octafluorocyclobutane, c-C4F8, was studied in shock waves over the range 1150-2300 K by recording UV absorption signals of CF2. It was found that the primary reaction nearly exclusively produces 2 C2F4 which afterwards decomposes to 4 CF2. A primary reaction leading to CF2 + C3F6 is not detected (an upper limit to the yield of the latter channel was found to be about 10 percent). The temperature range of earlier single pulse shock wave experiments was extended. The reaction was shown to be close to its high pressure limit. Combining high and low temperature results leads to a rate constant for the primary dissociation of k1 = 1015.97 exp(-310.5 kJ mol-1/RT) s-1 in the range 630-1330 K, over which k1 varies over nearly 14 orders of magnitude. Calculations of the energetics of the reaction pathway and the rate constants support the conclusions from the experiments. Also they shed light on the role of the 1,4-biradical CF2CF2CF2CF2 as an intermediate of the reaction.Fil: Cobos, Carlos Jorge. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; ArgentinaFil: Hintzer, K.. Dyneon Gmbh; AlemaniaFil: Sölter, L.. Universität Göttingen; AlemaniaFil: Tellbach, E.. Universität Göttingen; AlemaniaFil: Thaler, A.. Dyneon Gmbh; AlemaniaFil: Troe, J.. Universität Göttingen; Alemania. Max-Planck-Institut fu¨r biophysikalische Chemie; AlemaniaRoyal Society of Chemistry2015-10info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/81022Cobos, Carlos Jorge; Hintzer, K.; Sölter, L.; Tellbach, E.; Thaler, A.; et al.; Shock wave study and theoretical modeling of the thermal decomposition of c-C4F8; Royal Society of Chemistry; Physical Chemistry Chemical Physics; 17; 48; 10-2015; 32219-322241463-9076CONICET DigitalCONICETenginfo:eu-repo/semantics/reference/url/http://hdl.handle.net/11336/64002info:eu-repo/semantics/altIdentifier/doi/10.1039/c5cp05366hinfo:eu-repo/semantics/altIdentifier/url/https://pubs.rsc.org/en/content/articlelanding/2015/CP/C5CP05366H#!divAbstractinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:44:13Zoai:ri.conicet.gov.ar:11336/81022instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-29 09:44:14.084CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Shock wave study and theoretical modeling of the thermal decomposition of c-C4F8
title Shock wave study and theoretical modeling of the thermal decomposition of c-C4F8
spellingShingle Shock wave study and theoretical modeling of the thermal decomposition of c-C4F8
Cobos, Carlos Jorge
-
title_short Shock wave study and theoretical modeling of the thermal decomposition of c-C4F8
title_full Shock wave study and theoretical modeling of the thermal decomposition of c-C4F8
title_fullStr Shock wave study and theoretical modeling of the thermal decomposition of c-C4F8
title_full_unstemmed Shock wave study and theoretical modeling of the thermal decomposition of c-C4F8
title_sort Shock wave study and theoretical modeling of the thermal decomposition of c-C4F8
dc.creator.none.fl_str_mv Cobos, Carlos Jorge
Hintzer, K.
Sölter, L.
Tellbach, E.
Thaler, A.
Troe, J.
author Cobos, Carlos Jorge
author_facet Cobos, Carlos Jorge
Hintzer, K.
Sölter, L.
Tellbach, E.
Thaler, A.
Troe, J.
author_role author
author2 Hintzer, K.
Sölter, L.
Tellbach, E.
Thaler, A.
Troe, J.
author2_role author
author
author
author
author
dc.subject.none.fl_str_mv -
topic -
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The thermal dissociation of octafluorocyclobutane, c-C4F8, was studied in shock waves over the range 1150-2300 K by recording UV absorption signals of CF2. It was found that the primary reaction nearly exclusively produces 2 C2F4 which afterwards decomposes to 4 CF2. A primary reaction leading to CF2 + C3F6 is not detected (an upper limit to the yield of the latter channel was found to be about 10 percent). The temperature range of earlier single pulse shock wave experiments was extended. The reaction was shown to be close to its high pressure limit. Combining high and low temperature results leads to a rate constant for the primary dissociation of k1 = 1015.97 exp(-310.5 kJ mol-1/RT) s-1 in the range 630-1330 K, over which k1 varies over nearly 14 orders of magnitude. Calculations of the energetics of the reaction pathway and the rate constants support the conclusions from the experiments. Also they shed light on the role of the 1,4-biradical CF2CF2CF2CF2 as an intermediate of the reaction.
Fil: Cobos, Carlos Jorge. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina
Fil: Hintzer, K.. Dyneon Gmbh; Alemania
Fil: Sölter, L.. Universität Göttingen; Alemania
Fil: Tellbach, E.. Universität Göttingen; Alemania
Fil: Thaler, A.. Dyneon Gmbh; Alemania
Fil: Troe, J.. Universität Göttingen; Alemania. Max-Planck-Institut fu¨r biophysikalische Chemie; Alemania
description The thermal dissociation of octafluorocyclobutane, c-C4F8, was studied in shock waves over the range 1150-2300 K by recording UV absorption signals of CF2. It was found that the primary reaction nearly exclusively produces 2 C2F4 which afterwards decomposes to 4 CF2. A primary reaction leading to CF2 + C3F6 is not detected (an upper limit to the yield of the latter channel was found to be about 10 percent). The temperature range of earlier single pulse shock wave experiments was extended. The reaction was shown to be close to its high pressure limit. Combining high and low temperature results leads to a rate constant for the primary dissociation of k1 = 1015.97 exp(-310.5 kJ mol-1/RT) s-1 in the range 630-1330 K, over which k1 varies over nearly 14 orders of magnitude. Calculations of the energetics of the reaction pathway and the rate constants support the conclusions from the experiments. Also they shed light on the role of the 1,4-biradical CF2CF2CF2CF2 as an intermediate of the reaction.
publishDate 2015
dc.date.none.fl_str_mv 2015-10
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/81022
Cobos, Carlos Jorge; Hintzer, K.; Sölter, L.; Tellbach, E.; Thaler, A.; et al.; Shock wave study and theoretical modeling of the thermal decomposition of c-C4F8; Royal Society of Chemistry; Physical Chemistry Chemical Physics; 17; 48; 10-2015; 32219-32224
1463-9076
CONICET Digital
CONICET
url http://hdl.handle.net/11336/81022
identifier_str_mv Cobos, Carlos Jorge; Hintzer, K.; Sölter, L.; Tellbach, E.; Thaler, A.; et al.; Shock wave study and theoretical modeling of the thermal decomposition of c-C4F8; Royal Society of Chemistry; Physical Chemistry Chemical Physics; 17; 48; 10-2015; 32219-32224
1463-9076
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/reference/url/http://hdl.handle.net/11336/64002
info:eu-repo/semantics/altIdentifier/doi/10.1039/c5cp05366h
info:eu-repo/semantics/altIdentifier/url/https://pubs.rsc.org/en/content/articlelanding/2015/CP/C5CP05366H#!divAbstract
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv Royal Society of Chemistry
publisher.none.fl_str_mv Royal Society of Chemistry
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 13.070432

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