Dynamics Study of the OH + O2 Branching Atmospheric Reaction. 4. Influence of Vibrational Relaxation in Collisions Involving Highly Excited Species
Autor(a) principal: | |
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Data de Publicação: | 2002 |
Outros Autores: | , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
Texto Completo: | http://hdl.handle.net/10316/10452 https://doi.org/10.1021/jp0203245 |
Resumo: | The vibrational relaxation processes occurring during collisions of vibrationally excited O2 and OH are investigated using the quasiclassical trajectory method and a realistic double many-body expansion (DMBE I) potential energy surface for ground-state HO3. A salient feature is the observation of multiquanta deactivation processes for such high internal energies. It is also shown that the vibrational relaxation of colliding molecules is far less important than the reactive processes leading to formation of “odd-oxygen” (and hence ozone) under stratospheric local thermodynamic disequilibrium conditions. |
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Dynamics Study of the OH + O2 Branching Atmospheric Reaction. 4. Influence of Vibrational Relaxation in Collisions Involving Highly Excited SpeciesThe vibrational relaxation processes occurring during collisions of vibrationally excited O2 and OH are investigated using the quasiclassical trajectory method and a realistic double many-body expansion (DMBE I) potential energy surface for ground-state HO3. A salient feature is the observation of multiquanta deactivation processes for such high internal energies. It is also shown that the vibrational relaxation of colliding molecules is far less important than the reactive processes leading to formation of “odd-oxygen” (and hence ozone) under stratospheric local thermodynamic disequilibrium conditions.American Chemical Society2002-05-30info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttp://hdl.handle.net/10316/10452http://hdl.handle.net/10316/10452https://doi.org/10.1021/jp0203245engThe Journal of Physical Chemistry A. 106:21 (2002) 5314-53221089-5639Garrido, J. D.Caridade, P. J. S. B.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:RCAAP2019-06-01T21:39:11Zoai:estudogeral.uc.pt:10316/10452Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T21:01:30.566189Repositório 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 |
Dynamics Study of the OH + O2 Branching Atmospheric Reaction. 4. Influence of Vibrational Relaxation in Collisions Involving Highly Excited Species |
title |
Dynamics Study of the OH + O2 Branching Atmospheric Reaction. 4. Influence of Vibrational Relaxation in Collisions Involving Highly Excited Species |
spellingShingle |
Dynamics Study of the OH + O2 Branching Atmospheric Reaction. 4. Influence of Vibrational Relaxation in Collisions Involving Highly Excited Species Garrido, J. D. |
title_short |
Dynamics Study of the OH + O2 Branching Atmospheric Reaction. 4. Influence of Vibrational Relaxation in Collisions Involving Highly Excited Species |
title_full |
Dynamics Study of the OH + O2 Branching Atmospheric Reaction. 4. Influence of Vibrational Relaxation in Collisions Involving Highly Excited Species |
title_fullStr |
Dynamics Study of the OH + O2 Branching Atmospheric Reaction. 4. Influence of Vibrational Relaxation in Collisions Involving Highly Excited Species |
title_full_unstemmed |
Dynamics Study of the OH + O2 Branching Atmospheric Reaction. 4. Influence of Vibrational Relaxation in Collisions Involving Highly Excited Species |
title_sort |
Dynamics Study of the OH + O2 Branching Atmospheric Reaction. 4. Influence of Vibrational Relaxation in Collisions Involving Highly Excited Species |
author |
Garrido, J. D. |
author_facet |
Garrido, J. D. Caridade, P. J. S. B. Varandas, A. J. C. |
author_role |
author |
author2 |
Caridade, P. J. S. B. Varandas, A. J. C. |
author2_role |
author author |
dc.contributor.author.fl_str_mv |
Garrido, J. D. Caridade, P. J. S. B. Varandas, A. J. C. |
description |
The vibrational relaxation processes occurring during collisions of vibrationally excited O2 and OH are investigated using the quasiclassical trajectory method and a realistic double many-body expansion (DMBE I) potential energy surface for ground-state HO3. A salient feature is the observation of multiquanta deactivation processes for such high internal energies. It is also shown that the vibrational relaxation of colliding molecules is far less important than the reactive processes leading to formation of “odd-oxygen” (and hence ozone) under stratospheric local thermodynamic disequilibrium conditions. |
publishDate |
2002 |
dc.date.none.fl_str_mv |
2002-05-30 |
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/10316/10452 http://hdl.handle.net/10316/10452 https://doi.org/10.1021/jp0203245 |
url |
http://hdl.handle.net/10316/10452 https://doi.org/10.1021/jp0203245 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
The Journal of Physical Chemistry A. 106:21 (2002) 5314-5322 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 |
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1799133906382880768 |