Monte Carlo study of binary mixtures adsorbed on square lattices

Autores
García, Guillermo Daniel; Sanchez Varretti, Fabricio Orlando; Bulnes, Fernando Manuel; Ramirez Pastor, Antonio Jose
Año de publicación
2012
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The monolayer adsorption of interacting binary mixtures on 2D square lattices has been studied through grand canonical Monte Carlo simulation in the framework of the lattice-gas model. The process has been monitored through total and partial isotherms and differential heats of adsorption corresponding to both species of the mixture. Repulsive lateral interactions between the adsorbed particles have been considered, resulting in a rich variety of structural orderings in the adlayer. At the end of this work, the phase diagram characterizing the transitions occurring in the system has been determined. A nontrivial interdependence between the partial surface coverage of both species was observed and discussed.
Fil: García, Guillermo Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; Argentina
Fil: Sanchez Varretti, Fabricio Orlando. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; Argentina
Fil: Bulnes, Fernando Manuel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; Argentina
Fil: Ramirez Pastor, Antonio Jose. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; Argentina
Materia
gas mixtures
Surfaces
Adsorption
Monte Carlo simulations
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:11336/271734
Acceder
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repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Monte Carlo study of binary mixtures adsorbed on square latticesGarcía, Guillermo DanielSanchez Varretti, Fabricio OrlandoBulnes, Fernando ManuelRamirez Pastor, Antonio Josegas mixturesSurfacesAdsorptionMonte Carlo simulationshttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1The monolayer adsorption of interacting binary mixtures on 2D square lattices has been studied through grand canonical Monte Carlo simulation in the framework of the lattice-gas model. The process has been monitored through total and partial isotherms and differential heats of adsorption corresponding to both species of the mixture. Repulsive lateral interactions between the adsorbed particles have been considered, resulting in a rich variety of structural orderings in the adlayer. At the end of this work, the phase diagram characterizing the transitions occurring in the system has been determined. A nontrivial interdependence between the partial surface coverage of both species was observed and discussed.Fil: García, Guillermo Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; ArgentinaFil: Sanchez Varretti, Fabricio Orlando. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; ArgentinaFil: Bulnes, Fernando Manuel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; ArgentinaFil: Ramirez Pastor, Antonio Jose. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; ArgentinaElsevier Science2012-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/271734García, Guillermo Daniel; Sanchez Varretti, Fabricio Orlando; Bulnes, Fernando Manuel; Ramirez Pastor, Antonio Jose; Monte Carlo study of binary mixtures adsorbed on square lattices; Elsevier Science; Surface Science; 606; 1-2; 1-2012; 83-900039-6028CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/abs/pii/S0039602811003621info:eu-repo/semantics/altIdentifier/doi/10.1016/j.susc.2011.09.002info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:07:39Zoai:ri.conicet.gov.ar:11336/271734instacron: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 10:07:40.187CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Monte Carlo study of binary mixtures adsorbed on square lattices
title Monte Carlo study of binary mixtures adsorbed on square lattices
spellingShingle Monte Carlo study of binary mixtures adsorbed on square lattices
García, Guillermo Daniel
gas mixtures
Surfaces
Adsorption
Monte Carlo simulations
title_short Monte Carlo study of binary mixtures adsorbed on square lattices
title_full Monte Carlo study of binary mixtures adsorbed on square lattices
title_fullStr Monte Carlo study of binary mixtures adsorbed on square lattices
title_full_unstemmed Monte Carlo study of binary mixtures adsorbed on square lattices
title_sort Monte Carlo study of binary mixtures adsorbed on square lattices
dc.creator.none.fl_str_mv García, Guillermo Daniel
Sanchez Varretti, Fabricio Orlando
Bulnes, Fernando Manuel
Ramirez Pastor, Antonio Jose
author García, Guillermo Daniel
author_facet García, Guillermo Daniel
Sanchez Varretti, Fabricio Orlando
Bulnes, Fernando Manuel
Ramirez Pastor, Antonio Jose
author_role author
author2 Sanchez Varretti, Fabricio Orlando
Bulnes, Fernando Manuel
Ramirez Pastor, Antonio Jose
author2_role author
author
author
dc.subject.none.fl_str_mv gas mixtures
Surfaces
Adsorption
Monte Carlo simulations
topic gas mixtures
Surfaces
Adsorption
Monte Carlo simulations
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The monolayer adsorption of interacting binary mixtures on 2D square lattices has been studied through grand canonical Monte Carlo simulation in the framework of the lattice-gas model. The process has been monitored through total and partial isotherms and differential heats of adsorption corresponding to both species of the mixture. Repulsive lateral interactions between the adsorbed particles have been considered, resulting in a rich variety of structural orderings in the adlayer. At the end of this work, the phase diagram characterizing the transitions occurring in the system has been determined. A nontrivial interdependence between the partial surface coverage of both species was observed and discussed.
Fil: García, Guillermo Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; Argentina
Fil: Sanchez Varretti, Fabricio Orlando. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; Argentina
Fil: Bulnes, Fernando Manuel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; Argentina
Fil: Ramirez Pastor, Antonio Jose. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; Argentina
description The monolayer adsorption of interacting binary mixtures on 2D square lattices has been studied through grand canonical Monte Carlo simulation in the framework of the lattice-gas model. The process has been monitored through total and partial isotherms and differential heats of adsorption corresponding to both species of the mixture. Repulsive lateral interactions between the adsorbed particles have been considered, resulting in a rich variety of structural orderings in the adlayer. At the end of this work, the phase diagram characterizing the transitions occurring in the system has been determined. A nontrivial interdependence between the partial surface coverage of both species was observed and discussed.
publishDate 2012
dc.date.none.fl_str_mv 2012-01
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/11336/271734
García, Guillermo Daniel; Sanchez Varretti, Fabricio Orlando; Bulnes, Fernando Manuel; Ramirez Pastor, Antonio Jose; Monte Carlo study of binary mixtures adsorbed on square lattices; Elsevier Science; Surface Science; 606; 1-2; 1-2012; 83-90
0039-6028
CONICET Digital
CONICET
url http://hdl.handle.net/11336/271734
identifier_str_mv García, Guillermo Daniel; Sanchez Varretti, Fabricio Orlando; Bulnes, Fernando Manuel; Ramirez Pastor, Antonio Jose; Monte Carlo study of binary mixtures adsorbed on square lattices; Elsevier Science; Surface Science; 606; 1-2; 1-2012; 83-90
0039-6028
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://www.sciencedirect.com/science/article/abs/pii/S0039602811003621
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.susc.2011.09.002
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
application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv Elsevier Science
publisher.none.fl_str_mv Elsevier Science
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
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score 13.070432

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