Relative rate coefficient measurements of OH radical reactions with (Z)-2-hexen-1-ol and (E)-3-hexen-1-ol under simulated atmospheric conditions

Autores
Peirone, Silvina Anahí; Barrera, Javier Alejandro; Taccone, Raul Alberto; Cometto, Pablo Marcelo; Lane, Silvia Irene
Año de publicación
2014
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The relative rate technique was used to determine the rate coefficients of the reactions of OH radicals with (Z)-2-hexen-1-ol (k1), and (E)-3-hexen-1-ol (k2), at (296 ± 2) K and (750 ± 10) Torr of N2 or pure air. The reactions were investigated using a 200 L Teflon reaction chamber and a gas chromatograph coupled with flame-ionization detection. The following rate coefficients were derived, in units of cm3 mol−1 s−1: k1 = (1.1 ± 0.4) × 10−10 and k2 = (0.8 ± 0.1) × 10−10. This is the first experimental determination of k1 and k2. A comparison between the experimental rate coefficients (kexp) and the calculated rate coefficients using the structure–activity relationship (SAR) method (kSAR), for the reaction of different unsaturated alcohols with OH radicals is presented. The atmospheric lifetimes of the studied alcohols were estimated considering the rate coefficients of their reactions with OH and NO3 radicals. The radiative efficiencies (REs) were obtained from the infrared spectra of the two hexenols and the global warming potentials (GWPs) were then estimated. Atmospheric implications of the alcohols emission are briefly discussed.
Fil: Peirone, Silvina Anahí. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Barrera, Javier Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Taccone, Raul Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Cometto, Pablo Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Lane, Silvia Irene. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Materia
Oh Radicals
Rate Coefficients
Atmospheric Chemistry
Hexenols
Tropospheric Lifetimes
Radiative Efficiencies
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/31548
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/31548
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Relative rate coefficient measurements of OH radical reactions with (Z)-2-hexen-1-ol and (E)-3-hexen-1-ol under simulated atmospheric conditionsPeirone, Silvina AnahíBarrera, Javier AlejandroTaccone, Raul AlbertoCometto, Pablo MarceloLane, Silvia IreneOh RadicalsRate CoefficientsAtmospheric ChemistryHexenolsTropospheric LifetimesRadiative Efficiencieshttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The relative rate technique was used to determine the rate coefficients of the reactions of OH radicals with (Z)-2-hexen-1-ol (k1), and (E)-3-hexen-1-ol (k2), at (296 ± 2) K and (750 ± 10) Torr of N2 or pure air. The reactions were investigated using a 200 L Teflon reaction chamber and a gas chromatograph coupled with flame-ionization detection. The following rate coefficients were derived, in units of cm3 mol−1 s−1: k1 = (1.1 ± 0.4) × 10−10 and k2 = (0.8 ± 0.1) × 10−10. This is the first experimental determination of k1 and k2. A comparison between the experimental rate coefficients (kexp) and the calculated rate coefficients using the structure–activity relationship (SAR) method (kSAR), for the reaction of different unsaturated alcohols with OH radicals is presented. The atmospheric lifetimes of the studied alcohols were estimated considering the rate coefficients of their reactions with OH and NO3 radicals. The radiative efficiencies (REs) were obtained from the infrared spectra of the two hexenols and the global warming potentials (GWPs) were then estimated. Atmospheric implications of the alcohols emission are briefly discussed.Fil: Peirone, Silvina Anahí. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaFil: Barrera, Javier Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaFil: Taccone, Raul Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaFil: Cometto, Pablo Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaFil: Lane, Silvia Irene. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaPergamon-Elsevier Science Ltd.2014-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/31548Lane, Silvia Irene; Cometto, Pablo Marcelo; Taccone, Raul Alberto; Barrera, Javier Alejandro; Peirone, Silvina Anahí; Relative rate coefficient measurements of OH radical reactions with (Z)-2-hexen-1-ol and (E)-3-hexen-1-ol under simulated atmospheric conditions; Pergamon-Elsevier Science Ltd.; Atmospheric Environment; 85; 1-2014; 92-981352-2310CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.atmosenv.2013.11.076info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S1352231013009266info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T10:07:15Zoai:ri.conicet.gov.ar:11336/31548instacron: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:34982025-09-03 10:07:15.368CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Relative rate coefficient measurements of OH radical reactions with (Z)-2-hexen-1-ol and (E)-3-hexen-1-ol under simulated atmospheric conditions
title Relative rate coefficient measurements of OH radical reactions with (Z)-2-hexen-1-ol and (E)-3-hexen-1-ol under simulated atmospheric conditions
spellingShingle Relative rate coefficient measurements of OH radical reactions with (Z)-2-hexen-1-ol and (E)-3-hexen-1-ol under simulated atmospheric conditions
Peirone, Silvina Anahí
Oh Radicals
Rate Coefficients
Atmospheric Chemistry
Hexenols
Tropospheric Lifetimes
Radiative Efficiencies
title_short Relative rate coefficient measurements of OH radical reactions with (Z)-2-hexen-1-ol and (E)-3-hexen-1-ol under simulated atmospheric conditions
title_full Relative rate coefficient measurements of OH radical reactions with (Z)-2-hexen-1-ol and (E)-3-hexen-1-ol under simulated atmospheric conditions
title_fullStr Relative rate coefficient measurements of OH radical reactions with (Z)-2-hexen-1-ol and (E)-3-hexen-1-ol under simulated atmospheric conditions
title_full_unstemmed Relative rate coefficient measurements of OH radical reactions with (Z)-2-hexen-1-ol and (E)-3-hexen-1-ol under simulated atmospheric conditions
title_sort Relative rate coefficient measurements of OH radical reactions with (Z)-2-hexen-1-ol and (E)-3-hexen-1-ol under simulated atmospheric conditions
dc.creator.none.fl_str_mv Peirone, Silvina Anahí
Barrera, Javier Alejandro
Taccone, Raul Alberto
Cometto, Pablo Marcelo
Lane, Silvia Irene
author Peirone, Silvina Anahí
author_facet Peirone, Silvina Anahí
Barrera, Javier Alejandro
Taccone, Raul Alberto
Cometto, Pablo Marcelo
Lane, Silvia Irene
author_role author
author2 Barrera, Javier Alejandro
Taccone, Raul Alberto
Cometto, Pablo Marcelo
Lane, Silvia Irene
author2_role author
author
author
author
dc.subject.none.fl_str_mv Oh Radicals
Rate Coefficients
Atmospheric Chemistry
Hexenols
Tropospheric Lifetimes
Radiative Efficiencies
topic Oh Radicals
Rate Coefficients
Atmospheric Chemistry
Hexenols
Tropospheric Lifetimes
Radiative Efficiencies
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 relative rate technique was used to determine the rate coefficients of the reactions of OH radicals with (Z)-2-hexen-1-ol (k1), and (E)-3-hexen-1-ol (k2), at (296 ± 2) K and (750 ± 10) Torr of N2 or pure air. The reactions were investigated using a 200 L Teflon reaction chamber and a gas chromatograph coupled with flame-ionization detection. The following rate coefficients were derived, in units of cm3 mol−1 s−1: k1 = (1.1 ± 0.4) × 10−10 and k2 = (0.8 ± 0.1) × 10−10. This is the first experimental determination of k1 and k2. A comparison between the experimental rate coefficients (kexp) and the calculated rate coefficients using the structure–activity relationship (SAR) method (kSAR), for the reaction of different unsaturated alcohols with OH radicals is presented. The atmospheric lifetimes of the studied alcohols were estimated considering the rate coefficients of their reactions with OH and NO3 radicals. The radiative efficiencies (REs) were obtained from the infrared spectra of the two hexenols and the global warming potentials (GWPs) were then estimated. Atmospheric implications of the alcohols emission are briefly discussed.
Fil: Peirone, Silvina Anahí. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Barrera, Javier Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Taccone, Raul Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Cometto, Pablo Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Lane, Silvia Irene. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
description The relative rate technique was used to determine the rate coefficients of the reactions of OH radicals with (Z)-2-hexen-1-ol (k1), and (E)-3-hexen-1-ol (k2), at (296 ± 2) K and (750 ± 10) Torr of N2 or pure air. The reactions were investigated using a 200 L Teflon reaction chamber and a gas chromatograph coupled with flame-ionization detection. The following rate coefficients were derived, in units of cm3 mol−1 s−1: k1 = (1.1 ± 0.4) × 10−10 and k2 = (0.8 ± 0.1) × 10−10. This is the first experimental determination of k1 and k2. A comparison between the experimental rate coefficients (kexp) and the calculated rate coefficients using the structure–activity relationship (SAR) method (kSAR), for the reaction of different unsaturated alcohols with OH radicals is presented. The atmospheric lifetimes of the studied alcohols were estimated considering the rate coefficients of their reactions with OH and NO3 radicals. The radiative efficiencies (REs) were obtained from the infrared spectra of the two hexenols and the global warming potentials (GWPs) were then estimated. Atmospheric implications of the alcohols emission are briefly discussed.
publishDate 2014
dc.date.none.fl_str_mv 2014-01
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/11336/31548
Lane, Silvia Irene; Cometto, Pablo Marcelo; Taccone, Raul Alberto; Barrera, Javier Alejandro; Peirone, Silvina Anahí; Relative rate coefficient measurements of OH radical reactions with (Z)-2-hexen-1-ol and (E)-3-hexen-1-ol under simulated atmospheric conditions; Pergamon-Elsevier Science Ltd.; Atmospheric Environment; 85; 1-2014; 92-98
1352-2310
CONICET Digital
CONICET
url http://hdl.handle.net/11336/31548
identifier_str_mv Lane, Silvia Irene; Cometto, Pablo Marcelo; Taccone, Raul Alberto; Barrera, Javier Alejandro; Peirone, Silvina Anahí; Relative rate coefficient measurements of OH radical reactions with (Z)-2-hexen-1-ol and (E)-3-hexen-1-ol under simulated atmospheric conditions; Pergamon-Elsevier Science Ltd.; Atmospheric Environment; 85; 1-2014; 92-98
1352-2310
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1016/j.atmosenv.2013.11.076
info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S1352231013009266
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
application/pdf
application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv Pergamon-Elsevier Science Ltd.
publisher.none.fl_str_mv Pergamon-Elsevier Science Ltd.
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 13.13397

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