Finite size scaling in the heterogeneous reaction 2A + B2 −→ 2AB

Autores
Hernández Guiance, Sabrina Noemí; Coria, Daniel I.; Irurzun, Isabel Maria
Año de publicación
2022
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
In the present paper we extend the exact solution previously obtained for the heterogeneous catalytic reaction 2A+B2 → 2AB on small 2×2 domains, to arbitrary lattice sizes (N × N) and calculate the average number of reactive steps necessary to poison the lattice first,< t >. We determine < t > as a function of N through Monte Carlo simulations previously contrasted with the exact solution in 2 × 2 lattices. We show that < t > follows a power law with N, without appreciable transient behaviors, and a scale factor (ν) dependent on the two parameters of the model, the sticking coefficient probability s and the desorption probability pd. The dependence of ν on both s and pd is determined.
Fil: Hernández Guiance, Sabrina Noemí. Universidad del Centro Educativo Latinoamericano. Facultad de Química; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Coria, Daniel I.. Universidad del Centro Educativo Latinoamericano. Facultad de Química; Argentina
Fil: Irurzun, Isabel Maria. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina
Materia
Surfaces
Chemical Reaction
Statistical Mechanics
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:11336/204806
Acceder
id CONICETDig_3dff8cf6cdd23738e6402387a1bbd539
oai_identifier_str oai:ri.conicet.gov.ar:11336/204806
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Finite size scaling in the heterogeneous reaction 2A + B2 −→ 2ABHernández Guiance, Sabrina NoemíCoria, Daniel I.Irurzun, Isabel MariaSurfacesChemical ReactionStatistical Mechanicshttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1In the present paper we extend the exact solution previously obtained for the heterogeneous catalytic reaction 2A+B2 → 2AB on small 2×2 domains, to arbitrary lattice sizes (N × N) and calculate the average number of reactive steps necessary to poison the lattice first,< t >. We determine < t > as a function of N through Monte Carlo simulations previously contrasted with the exact solution in 2 × 2 lattices. We show that < t > follows a power law with N, without appreciable transient behaviors, and a scale factor (ν) dependent on the two parameters of the model, the sticking coefficient probability s and the desorption probability pd. The dependence of ν on both s and pd is determined.Fil: Hernández Guiance, Sabrina Noemí. Universidad del Centro Educativo Latinoamericano. Facultad de Química; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Coria, Daniel I.. Universidad del Centro Educativo Latinoamericano. Facultad de Química; ArgentinaFil: Irurzun, Isabel Maria. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; ArgentinaUniv Kragujevac2022-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/204806Hernández Guiance, Sabrina Noemí; Coria, Daniel I.; Irurzun, Isabel Maria; Finite size scaling in the heterogeneous reaction 2A + B2 −→ 2AB; Univ Kragujevac; Match-communications In Mathematical And In Computer Chemistry; 87; 2; 1-2022; 321-3280340-6253CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://match.pmf.kg.ac.rs/issues/m87n2/m87n2_321-328.htmlinfo:eu-repo/semantics/altIdentifier/doi/10.46793/match.87-2.321Hinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:35:41Zoai:ri.conicet.gov.ar:11336/204806instacron: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 10:35:41.751CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Finite size scaling in the heterogeneous reaction 2A + B2 −→ 2AB
title Finite size scaling in the heterogeneous reaction 2A + B2 −→ 2AB
spellingShingle Finite size scaling in the heterogeneous reaction 2A + B2 −→ 2AB
Hernández Guiance, Sabrina Noemí
Surfaces
Chemical Reaction
Statistical Mechanics
title_short Finite size scaling in the heterogeneous reaction 2A + B2 −→ 2AB
title_full Finite size scaling in the heterogeneous reaction 2A + B2 −→ 2AB
title_fullStr Finite size scaling in the heterogeneous reaction 2A + B2 −→ 2AB
title_full_unstemmed Finite size scaling in the heterogeneous reaction 2A + B2 −→ 2AB
title_sort Finite size scaling in the heterogeneous reaction 2A + B2 −→ 2AB
dc.creator.none.fl_str_mv Hernández Guiance, Sabrina Noemí
Coria, Daniel I.
Irurzun, Isabel Maria
author Hernández Guiance, Sabrina Noemí
author_facet Hernández Guiance, Sabrina Noemí
Coria, Daniel I.
Irurzun, Isabel Maria
author_role author
author2 Coria, Daniel I.
Irurzun, Isabel Maria
author2_role author
author
dc.subject.none.fl_str_mv Surfaces
Chemical Reaction
Statistical Mechanics
topic Surfaces
Chemical Reaction
Statistical Mechanics
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv In the present paper we extend the exact solution previously obtained for the heterogeneous catalytic reaction 2A+B2 → 2AB on small 2×2 domains, to arbitrary lattice sizes (N × N) and calculate the average number of reactive steps necessary to poison the lattice first,< t >. We determine < t > as a function of N through Monte Carlo simulations previously contrasted with the exact solution in 2 × 2 lattices. We show that < t > follows a power law with N, without appreciable transient behaviors, and a scale factor (ν) dependent on the two parameters of the model, the sticking coefficient probability s and the desorption probability pd. The dependence of ν on both s and pd is determined.
Fil: Hernández Guiance, Sabrina Noemí. Universidad del Centro Educativo Latinoamericano. Facultad de Química; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Coria, Daniel I.. Universidad del Centro Educativo Latinoamericano. Facultad de Química; Argentina
Fil: Irurzun, Isabel Maria. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina
description In the present paper we extend the exact solution previously obtained for the heterogeneous catalytic reaction 2A+B2 → 2AB on small 2×2 domains, to arbitrary lattice sizes (N × N) and calculate the average number of reactive steps necessary to poison the lattice first,< t >. We determine < t > as a function of N through Monte Carlo simulations previously contrasted with the exact solution in 2 × 2 lattices. We show that < t > follows a power law with N, without appreciable transient behaviors, and a scale factor (ν) dependent on the two parameters of the model, the sticking coefficient probability s and the desorption probability pd. The dependence of ν on both s and pd is determined.
publishDate 2022
dc.date.none.fl_str_mv 2022-01
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/11336/204806
Hernández Guiance, Sabrina Noemí; Coria, Daniel I.; Irurzun, Isabel Maria; Finite size scaling in the heterogeneous reaction 2A + B2 −→ 2AB; Univ Kragujevac; Match-communications In Mathematical And In Computer Chemistry; 87; 2; 1-2022; 321-328
0340-6253
CONICET Digital
CONICET
url http://hdl.handle.net/11336/204806
identifier_str_mv Hernández Guiance, Sabrina Noemí; Coria, Daniel I.; Irurzun, Isabel Maria; Finite size scaling in the heterogeneous reaction 2A + B2 −→ 2AB; Univ Kragujevac; Match-communications In Mathematical And In Computer Chemistry; 87; 2; 1-2022; 321-328
0340-6253
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://match.pmf.kg.ac.rs/issues/m87n2/m87n2_321-328.html
info:eu-repo/semantics/altIdentifier/doi/10.46793/match.87-2.321H
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 Univ Kragujevac
publisher.none.fl_str_mv Univ Kragujevac
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
_version_ 1844614375765180416
score 13.070432

Publicaciones similares