Estudo teórico do espalhamento de elétrons pelos radicais livres OH e NH.

Detalhes bibliográficos
Ano de defesa: 2003
Autor(a) principal: Lozano, Norka Beatriz Huamán
Orientador(a): Tao, Lee Mu lattes
Banca de defesa: Não Informado pela instituição
Tipo de documento: Dissertação
Tipo de acesso: Acesso aberto
Idioma: por
Instituição de defesa: Universidade Federal de São Carlos
Programa de Pós-Graduação: Programa de Pós-Graduação em Química - PPGQ
Departamento: Não Informado pela instituição
País: BR
Palavras-chave em Português:
Área do conhecimento CNPq:
Link de acesso: https://repositorio.ufscar.br/handle/ufscar/6626
Resumo: Recently, interest on studies of electron scattering by highly-reactive free radicals has grown mostly because their participation on many important processes in several fields such astrophysics, biological and earth s atmospheric studies, as well as in industrial applications. In this work, we report a theoretical study on electron collisions on two radicals, OH and NH. More specifically, calculated elastic differential, integral and momentum-transfer cross sections as well as total (elastic + inelastic) and total absorption cross sections in a wide incident energy range are reported. The main motivation of the present work is to fill partially the existent lacuna in the literatura for electron-radical interactions, since both theoretical and experimental data for such interactions are rare. It is also known that the experimental determination of electron-radical scattering cross sections are very difficult due to the high reactivity of these species. The present work covers incident energies in the (0.5-500.0)-eV range. A complex optical potential is used to describe the dynamics of electron-radical interaction whereas a combination of the Schwinger variational iterative method and the distorted-wave approximation is used to solve the Lippmann-Schwinger scattering equation. Our calculated results are compared with a few theoretical and experimental data for total ionization cross sections, available in the literature for these radicals. Comparison is also made with the results obtained from electron scattering by the molecules H2O e NH3, which are formed by the same chemical elements of the radicals. Several interesting points are observed in the comparison.
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spelling Lozano, Norka Beatriz HuamánTao, Lee Muhttp://genos.cnpq.br:12010/dwlattes/owa/prc_imp_cv_int?f_cod=K4783221H9http://genos.cnpq.br:12010/dwlattes/owa/prc_imp_cv_int?f_cod=K4703696A4cf8b9a0d-662a-409e-8223-69cc7d003fec2016-06-02T20:36:58Z2004-11-122016-06-02T20:36:58Z2003-11-28LOZANO, Norka Beatriz Huamán. Theoretical study about the scattering of electrons by free radicals OH and NH.. 2003. 75 f. Dissertação (Mestrado em Ciências Exatas e da Terra) - Universidade Federal de São Carlos, São Carlos, 2003.https://repositorio.ufscar.br/handle/ufscar/6626Recently, interest on studies of electron scattering by highly-reactive free radicals has grown mostly because their participation on many important processes in several fields such astrophysics, biological and earth s atmospheric studies, as well as in industrial applications. In this work, we report a theoretical study on electron collisions on two radicals, OH and NH. More specifically, calculated elastic differential, integral and momentum-transfer cross sections as well as total (elastic + inelastic) and total absorption cross sections in a wide incident energy range are reported. The main motivation of the present work is to fill partially the existent lacuna in the literatura for electron-radical interactions, since both theoretical and experimental data for such interactions are rare. It is also known that the experimental determination of electron-radical scattering cross sections are very difficult due to the high reactivity of these species. The present work covers incident energies in the (0.5-500.0)-eV range. A complex optical potential is used to describe the dynamics of electron-radical interaction whereas a combination of the Schwinger variational iterative method and the distorted-wave approximation is used to solve the Lippmann-Schwinger scattering equation. Our calculated results are compared with a few theoretical and experimental data for total ionization cross sections, available in the literature for these radicals. Comparison is also made with the results obtained from electron scattering by the molecules H2O e NH3, which are formed by the same chemical elements of the radicals. Several interesting points are observed in the comparison.Os estudos das colisões elétron-radicais livres, espécies altamente reativas, tem crescido recentemente, em vista de sua importante participação em muitos processos astrofísicos, atmosféricos, biológicos e industriais. Neste trabalho, foram calculadas as seções de choque diferenciais, integrais e de transferência de momento para o espalhamento elástico de elétrons pelos radicais livres OH e NH. Também foram calculadas as seções de choque total (elástica + inelástica) para estas colisões. A principal motivação de nosso trabalho se deve à falta de dados tanto teóricos quanto experimentais para estas interações. A determinação experimental de tais dados é muito difícil devido à alta reatividade destes radicais. Este estudo visa preencher em parte a grande lacuna existente na literatura sobre o espalhamento de elétrons por espécies radicalares. Neste trabalho, a faixa de energia em estudo incluiu as regiões de energia baixa e intermediária situada entre 0,5 a 500,0 eV. Um potencial ótico complexo foi utilizado para representar a dinâmica de interação elétron-radical. Para resolver as equações de espalhamento foi utilizado o método variacional de Schwinger iterativo combinado com aproximações de ondas distorcidas. As comparações foram feitas com os escassos dados teóricos e experimentais para estes radicais e também com as moléculas mais estáveis, formadas pelos mesmos elementos químicos (H2O e NH3). Essas comparações resultaram em informações interessantes sobre os efeitos predominantes nos espalhamentos por estes alvos.application/pdfporUniversidade Federal de São CarlosPrograma de Pós-Graduação em Química - PPGQUFSCarBRFísico-químicaRadicais livresEspalhamento de elétronsColisões elétron-moléculaNAO CATEGORIZADOEstudo teórico do espalhamento de elétrons pelos radicais livres OH e NH.Theoretical study about the scattering of electrons by free radicals OH and NH.info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/masterThesis-1-15976054d-4175-4587-95f2-b137073d429dinfo:eu-repo/semantics/openAccessreponame:Repositório Institucional da UFSCARinstname:Universidade Federal de São Carlos (UFSCAR)instacron:UFSCARORIGINALDissNBHL.pdfapplication/pdf436465https://repositorio.ufscar.br/bitstream/ufscar/6626/1/DissNBHL.pdf91371a4fb587142e90d5201bfc8fb866MD51THUMBNAILDissNBHL.pdf.jpgDissNBHL.pdf.jpgIM Thumbnailimage/jpeg9229https://repositorio.ufscar.br/bitstream/ufscar/6626/2/DissNBHL.pdf.jpgb6a04de9954e4836ecf0e9cb1114587eMD52ufscar/66262023-09-18 18:31:12.064oai:repositorio.ufscar.br:ufscar/6626Repositório InstitucionalPUBhttps://repositorio.ufscar.br/oai/requestopendoar:43222023-09-18T18:31:12Repositório Institucional da UFSCAR - Universidade Federal de São Carlos (UFSCAR)false
dc.title.por.fl_str_mv Estudo teórico do espalhamento de elétrons pelos radicais livres OH e NH.
dc.title.alternative.eng.fl_str_mv Theoretical study about the scattering of electrons by free radicals OH and NH.
title Estudo teórico do espalhamento de elétrons pelos radicais livres OH e NH.
spellingShingle Estudo teórico do espalhamento de elétrons pelos radicais livres OH e NH.
Lozano, Norka Beatriz Huamán
Físico-química
Radicais livres
Espalhamento de elétrons
Colisões elétron-molécula
NAO CATEGORIZADO
title_short Estudo teórico do espalhamento de elétrons pelos radicais livres OH e NH.
title_full Estudo teórico do espalhamento de elétrons pelos radicais livres OH e NH.
title_fullStr Estudo teórico do espalhamento de elétrons pelos radicais livres OH e NH.
title_full_unstemmed Estudo teórico do espalhamento de elétrons pelos radicais livres OH e NH.
title_sort Estudo teórico do espalhamento de elétrons pelos radicais livres OH e NH.
author Lozano, Norka Beatriz Huamán
author_facet Lozano, Norka Beatriz Huamán
author_role author
dc.contributor.authorlattes.por.fl_str_mv http://genos.cnpq.br:12010/dwlattes/owa/prc_imp_cv_int?f_cod=K4703696A4
dc.contributor.author.fl_str_mv Lozano, Norka Beatriz Huamán
dc.contributor.advisor1.fl_str_mv Tao, Lee Mu
dc.contributor.advisor1Lattes.fl_str_mv http://genos.cnpq.br:12010/dwlattes/owa/prc_imp_cv_int?f_cod=K4783221H9
dc.contributor.authorID.fl_str_mv cf8b9a0d-662a-409e-8223-69cc7d003fec
contributor_str_mv Tao, Lee Mu
dc.subject.por.fl_str_mv Físico-química
Radicais livres
Espalhamento de elétrons
Colisões elétron-molécula
topic Físico-química
Radicais livres
Espalhamento de elétrons
Colisões elétron-molécula
NAO CATEGORIZADO
dc.subject.cnpq.fl_str_mv NAO CATEGORIZADO
description Recently, interest on studies of electron scattering by highly-reactive free radicals has grown mostly because their participation on many important processes in several fields such astrophysics, biological and earth s atmospheric studies, as well as in industrial applications. In this work, we report a theoretical study on electron collisions on two radicals, OH and NH. More specifically, calculated elastic differential, integral and momentum-transfer cross sections as well as total (elastic + inelastic) and total absorption cross sections in a wide incident energy range are reported. The main motivation of the present work is to fill partially the existent lacuna in the literatura for electron-radical interactions, since both theoretical and experimental data for such interactions are rare. It is also known that the experimental determination of electron-radical scattering cross sections are very difficult due to the high reactivity of these species. The present work covers incident energies in the (0.5-500.0)-eV range. A complex optical potential is used to describe the dynamics of electron-radical interaction whereas a combination of the Schwinger variational iterative method and the distorted-wave approximation is used to solve the Lippmann-Schwinger scattering equation. Our calculated results are compared with a few theoretical and experimental data for total ionization cross sections, available in the literature for these radicals. Comparison is also made with the results obtained from electron scattering by the molecules H2O e NH3, which are formed by the same chemical elements of the radicals. Several interesting points are observed in the comparison.
publishDate 2003
dc.date.issued.fl_str_mv 2003-11-28
dc.date.available.fl_str_mv 2004-11-12
2016-06-02T20:36:58Z
dc.date.accessioned.fl_str_mv 2016-06-02T20:36:58Z
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dc.identifier.citation.fl_str_mv LOZANO, Norka Beatriz Huamán. Theoretical study about the scattering of electrons by free radicals OH and NH.. 2003. 75 f. Dissertação (Mestrado em Ciências Exatas e da Terra) - Universidade Federal de São Carlos, São Carlos, 2003.
dc.identifier.uri.fl_str_mv https://repositorio.ufscar.br/handle/ufscar/6626
identifier_str_mv LOZANO, Norka Beatriz Huamán. Theoretical study about the scattering of electrons by free radicals OH and NH.. 2003. 75 f. Dissertação (Mestrado em Ciências Exatas e da Terra) - Universidade Federal de São Carlos, São Carlos, 2003.
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