Nascent versus “Steady-State” Rovibrational Distributions in the Products of the O(3P) + O3(1A) Reaction

Detalhes bibliográficos
Autor(a) principal: Caridade, P. J. S. B.
Data de Publicação: 2003
Outros Autores: Llanio-Trujillo, J. L., Varandas, A. J. C.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Texto Completo: http://hdl.handle.net/10316/10468
https://doi.org/10.1021/jp030756v
Resumo: We report a trajectory simulation study of the O2(v‘,j‘) + O2(v‘‘,j‘‘) collisional process at a translational temperature of 1500 K with a view to compare the initial and final rovibrational distributions of the colliding species. As initial rotational and vibrational micropopulations we assume those calculated for the products of the forward title reaction. Rotational relaxation is found to occur to a larger extent than vibrational relaxation, a result that is in general agreement with experimental measurements for small and moderate delay times after the reaction O + O3 → O2(v‘,j‘) + O2(v‘‘,j‘‘) has occurred. Rather than a single rotational temperature reported from the experiments, the simulations predict two disparate rotational temperatures close to those characterizing the nascent micropopulation. An increase in temperature due to vibrational−translational and rotational−translational relaxation processes is also predicted.
id RCAP_0c1ac57318ffe8eb6e5ca8dae47d401f
oai_identifier_str oai:estudogeral.uc.pt:10316/10468
network_acronym_str RCAP
network_name_str Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
repository_id_str 7160
spelling Nascent versus “Steady-State” Rovibrational Distributions in the Products of the O(3P) + O3(1A) ReactionWe report a trajectory simulation study of the O2(v‘,j‘) + O2(v‘‘,j‘‘) collisional process at a translational temperature of 1500 K with a view to compare the initial and final rovibrational distributions of the colliding species. As initial rotational and vibrational micropopulations we assume those calculated for the products of the forward title reaction. Rotational relaxation is found to occur to a larger extent than vibrational relaxation, a result that is in general agreement with experimental measurements for small and moderate delay times after the reaction O + O3 → O2(v‘,j‘) + O2(v‘‘,j‘‘) has occurred. Rather than a single rotational temperature reported from the experiments, the simulations predict two disparate rotational temperatures close to those characterizing the nascent micropopulation. An increase in temperature due to vibrational−translational and rotational−translational relaxation processes is also predicted.American Chemical Society2003-12-18info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttp://hdl.handle.net/10316/10468http://hdl.handle.net/10316/10468https://doi.org/10.1021/jp030756vengThe Journal of Physical Chemistry A. 107:50 (2003) 10926-109321089-5639Caridade, P. J. S. B.Llanio-Trujillo, J. L.Varandas, A. J. C.info:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2019-06-02T10:52:33Zoai:estudogeral.uc.pt:10316/10468Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T21:01:31.432560Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse
dc.title.none.fl_str_mv Nascent versus “Steady-State” Rovibrational Distributions in the Products of the O(3P) + O3(1A) Reaction
title Nascent versus “Steady-State” Rovibrational Distributions in the Products of the O(3P) + O3(1A) Reaction
spellingShingle Nascent versus “Steady-State” Rovibrational Distributions in the Products of the O(3P) + O3(1A) Reaction
Caridade, P. J. S. B.
title_short Nascent versus “Steady-State” Rovibrational Distributions in the Products of the O(3P) + O3(1A) Reaction
title_full Nascent versus “Steady-State” Rovibrational Distributions in the Products of the O(3P) + O3(1A) Reaction
title_fullStr Nascent versus “Steady-State” Rovibrational Distributions in the Products of the O(3P) + O3(1A) Reaction
title_full_unstemmed Nascent versus “Steady-State” Rovibrational Distributions in the Products of the O(3P) + O3(1A) Reaction
title_sort Nascent versus “Steady-State” Rovibrational Distributions in the Products of the O(3P) + O3(1A) Reaction
author Caridade, P. J. S. B.
author_facet Caridade, P. J. S. B.
Llanio-Trujillo, J. L.
Varandas, A. J. C.
author_role author
author2 Llanio-Trujillo, J. L.
Varandas, A. J. C.
author2_role author
author
dc.contributor.author.fl_str_mv Caridade, P. J. S. B.
Llanio-Trujillo, J. L.
Varandas, A. J. C.
description We report a trajectory simulation study of the O2(v‘,j‘) + O2(v‘‘,j‘‘) collisional process at a translational temperature of 1500 K with a view to compare the initial and final rovibrational distributions of the colliding species. As initial rotational and vibrational micropopulations we assume those calculated for the products of the forward title reaction. Rotational relaxation is found to occur to a larger extent than vibrational relaxation, a result that is in general agreement with experimental measurements for small and moderate delay times after the reaction O + O3 → O2(v‘,j‘) + O2(v‘‘,j‘‘) has occurred. Rather than a single rotational temperature reported from the experiments, the simulations predict two disparate rotational temperatures close to those characterizing the nascent micropopulation. An increase in temperature due to vibrational−translational and rotational−translational relaxation processes is also predicted.
publishDate 2003
dc.date.none.fl_str_mv 2003-12-18
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://hdl.handle.net/10316/10468
http://hdl.handle.net/10316/10468
https://doi.org/10.1021/jp030756v
url http://hdl.handle.net/10316/10468
https://doi.org/10.1021/jp030756v
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv The Journal of Physical Chemistry A. 107:50 (2003) 10926-10932
1089-5639
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv American Chemical Society
publisher.none.fl_str_mv American Chemical Society
dc.source.none.fl_str_mv reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron:RCAAP
instname_str Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron_str RCAAP
institution RCAAP
reponame_str Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
collection Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
repository.name.fl_str_mv Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
repository.mail.fl_str_mv
_version_ 1799133906414338048