Study of oscillations and pattern formation in the NO+CO reaction on Pt(100) surfaces through dynamic Monte Carlo simulation: toward a realistic model
- Autores
- Alas, S. J.; Zgrablich, Jorge Andres
- Año de publicación
- 2006
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- Oscillations and pattern formation driven by a surface reconstruction are studied for the catalytic reduction of NO by CO on Pt(100) single-crystal surfaces through dynamic Monte Carlo simulations at low pressure and relatively high temperatures conditions. This study incorporates recent experimental evidence obtained for the same reaction on a Rh(111) surface, which modifies the reaction scheme used in previous approaches. The main consequence of such experimental evidence is that the production of N2 occurs through two parallel mechanisms: (a) the classical N + N recombination step; (b) the formation and subsequent decay of an (N-NO)* intermediate species as the fastest pathway. Moreover, different factors influencing the NO dissociation rate, the key step in the whole reaction, such as the availability of neighboring vacant sites, the formation of N-islands, and the presence of other NO and CO adsorbed species in the neighborhood, are also taken into account and their effects discussed. Sustained, modulated, irregular, and damped oscillations are observed in our analysis as well as the formation of cellular structures and turbulent patterns. The effect and the importance of each elementary reaction step on the behavior of the system are discussed.
Fil: Alas, S. J.. Universidad Autónoma Metropolitana; México
Fil: Zgrablich, Jorge Andres. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis; Argentina. Universidad Nacional de San Luis. Facultad de Ciencias Fisico Matematicas y Naturales. Departamento de Fisica. Laboratorio de Ciencias de Superficies y Medios Porosos; Argentina - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
- Repositorio
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/159774
Ver los metadatos del registro completo
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Study of oscillations and pattern formation in the NO+CO reaction on Pt(100) surfaces through dynamic Monte Carlo simulation: toward a realistic modelAlas, S. J.Zgrablich, Jorge Andreshttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1Oscillations and pattern formation driven by a surface reconstruction are studied for the catalytic reduction of NO by CO on Pt(100) single-crystal surfaces through dynamic Monte Carlo simulations at low pressure and relatively high temperatures conditions. This study incorporates recent experimental evidence obtained for the same reaction on a Rh(111) surface, which modifies the reaction scheme used in previous approaches. The main consequence of such experimental evidence is that the production of N2 occurs through two parallel mechanisms: (a) the classical N + N recombination step; (b) the formation and subsequent decay of an (N-NO)* intermediate species as the fastest pathway. Moreover, different factors influencing the NO dissociation rate, the key step in the whole reaction, such as the availability of neighboring vacant sites, the formation of N-islands, and the presence of other NO and CO adsorbed species in the neighborhood, are also taken into account and their effects discussed. Sustained, modulated, irregular, and damped oscillations are observed in our analysis as well as the formation of cellular structures and turbulent patterns. The effect and the importance of each elementary reaction step on the behavior of the system are discussed.Fil: Alas, S. J.. Universidad Autónoma Metropolitana; MéxicoFil: Zgrablich, Jorge Andres. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis; Argentina. Universidad Nacional de San Luis. Facultad de Ciencias Fisico Matematicas y Naturales. Departamento de Fisica. Laboratorio de Ciencias de Superficies y Medios Porosos; ArgentinaAmerican Chemical Society2006-12info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/159774Alas, S. J.; Zgrablich, Jorge Andres; Study of oscillations and pattern formation in the NO+CO reaction on Pt(100) surfaces through dynamic Monte Carlo simulation: toward a realistic model; American Chemical Society; Journal of Physical Chemistry B; 110; 19; 12-2006; 9499-95101089-5647CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/abs/10.1021/jp060793xinfo:eu-repo/semantics/altIdentifier/doi/10.1021/jp060793xinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:35:03Zoai:ri.conicet.gov.ar:11336/159774instacron: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 09:35:03.658CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse |
dc.title.none.fl_str_mv |
Study of oscillations and pattern formation in the NO+CO reaction on Pt(100) surfaces through dynamic Monte Carlo simulation: toward a realistic model |
title |
Study of oscillations and pattern formation in the NO+CO reaction on Pt(100) surfaces through dynamic Monte Carlo simulation: toward a realistic model |
spellingShingle |
Study of oscillations and pattern formation in the NO+CO reaction on Pt(100) surfaces through dynamic Monte Carlo simulation: toward a realistic model Alas, S. J. |
title_short |
Study of oscillations and pattern formation in the NO+CO reaction on Pt(100) surfaces through dynamic Monte Carlo simulation: toward a realistic model |
title_full |
Study of oscillations and pattern formation in the NO+CO reaction on Pt(100) surfaces through dynamic Monte Carlo simulation: toward a realistic model |
title_fullStr |
Study of oscillations and pattern formation in the NO+CO reaction on Pt(100) surfaces through dynamic Monte Carlo simulation: toward a realistic model |
title_full_unstemmed |
Study of oscillations and pattern formation in the NO+CO reaction on Pt(100) surfaces through dynamic Monte Carlo simulation: toward a realistic model |
title_sort |
Study of oscillations and pattern formation in the NO+CO reaction on Pt(100) surfaces through dynamic Monte Carlo simulation: toward a realistic model |
dc.creator.none.fl_str_mv |
Alas, S. J. Zgrablich, Jorge Andres |
author |
Alas, S. J. |
author_facet |
Alas, S. J. Zgrablich, Jorge Andres |
author_role |
author |
author2 |
Zgrablich, Jorge Andres |
author2_role |
author |
purl_subject.fl_str_mv |
https://purl.org/becyt/ford/1.4 https://purl.org/becyt/ford/1 |
dc.description.none.fl_txt_mv |
Oscillations and pattern formation driven by a surface reconstruction are studied for the catalytic reduction of NO by CO on Pt(100) single-crystal surfaces through dynamic Monte Carlo simulations at low pressure and relatively high temperatures conditions. This study incorporates recent experimental evidence obtained for the same reaction on a Rh(111) surface, which modifies the reaction scheme used in previous approaches. The main consequence of such experimental evidence is that the production of N2 occurs through two parallel mechanisms: (a) the classical N + N recombination step; (b) the formation and subsequent decay of an (N-NO)* intermediate species as the fastest pathway. Moreover, different factors influencing the NO dissociation rate, the key step in the whole reaction, such as the availability of neighboring vacant sites, the formation of N-islands, and the presence of other NO and CO adsorbed species in the neighborhood, are also taken into account and their effects discussed. Sustained, modulated, irregular, and damped oscillations are observed in our analysis as well as the formation of cellular structures and turbulent patterns. The effect and the importance of each elementary reaction step on the behavior of the system are discussed. Fil: Alas, S. J.. Universidad Autónoma Metropolitana; México Fil: Zgrablich, Jorge Andres. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis; Argentina. Universidad Nacional de San Luis. Facultad de Ciencias Fisico Matematicas y Naturales. Departamento de Fisica. Laboratorio de Ciencias de Superficies y Medios Porosos; Argentina |
description |
Oscillations and pattern formation driven by a surface reconstruction are studied for the catalytic reduction of NO by CO on Pt(100) single-crystal surfaces through dynamic Monte Carlo simulations at low pressure and relatively high temperatures conditions. This study incorporates recent experimental evidence obtained for the same reaction on a Rh(111) surface, which modifies the reaction scheme used in previous approaches. The main consequence of such experimental evidence is that the production of N2 occurs through two parallel mechanisms: (a) the classical N + N recombination step; (b) the formation and subsequent decay of an (N-NO)* intermediate species as the fastest pathway. Moreover, different factors influencing the NO dissociation rate, the key step in the whole reaction, such as the availability of neighboring vacant sites, the formation of N-islands, and the presence of other NO and CO adsorbed species in the neighborhood, are also taken into account and their effects discussed. Sustained, modulated, irregular, and damped oscillations are observed in our analysis as well as the formation of cellular structures and turbulent patterns. The effect and the importance of each elementary reaction step on the behavior of the system are discussed. |
publishDate |
2006 |
dc.date.none.fl_str_mv |
2006-12 |
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/11336/159774 Alas, S. J.; Zgrablich, Jorge Andres; Study of oscillations and pattern formation in the NO+CO reaction on Pt(100) surfaces through dynamic Monte Carlo simulation: toward a realistic model; American Chemical Society; Journal of Physical Chemistry B; 110; 19; 12-2006; 9499-9510 1089-5647 CONICET Digital CONICET |
url |
http://hdl.handle.net/11336/159774 |
identifier_str_mv |
Alas, S. J.; Zgrablich, Jorge Andres; Study of oscillations and pattern formation in the NO+CO reaction on Pt(100) surfaces through dynamic Monte Carlo simulation: toward a realistic model; American Chemical Society; Journal of Physical Chemistry B; 110; 19; 12-2006; 9499-9510 1089-5647 CONICET Digital CONICET |
dc.language.none.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/abs/10.1021/jp060793x info:eu-repo/semantics/altIdentifier/doi/10.1021/jp060793x |
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 |
dc.publisher.none.fl_str_mv |
American Chemical Society |
publisher.none.fl_str_mv |
American Chemical Society |
dc.source.none.fl_str_mv |
reponame:CONICET Digital (CONICET) instname:Consejo Nacional de Investigaciones Científicas y Técnicas |
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CONICET Digital (CONICET) |
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CONICET Digital (CONICET) |
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Consejo Nacional de Investigaciones Científicas y Técnicas |
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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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