Modeling multilayer adsorption of interacting polyatomic species on heterogeneous surfaces

Autores
Sanchez Varretti, Fabricio Orlando; García, Guillermo Daniel; Ramirez Pastor, Antonio Jose
Año de publicación
2012
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
In the present work, a generalized lattice-gas model to study multilayer adsorption of interacting polyatomic species on heterogeneous surfaces is introduced. Using an approximation in the spirit of the well-known Brunauer–Emmet–Teller (BET) model, a new theoretical isotherm is obtained in one- and two-dimensional lattices and compared with Monte Carlo simulation. In addition, the BET approach is used to analyze these isotherms and to estimate the monolayer volume. In all cases, the application of the BET equation leads to an underestimate of the true monolayer capacity. However, significant compensation effects were observed for heterogeneous surfaces and attractive lateral interactions.
Fil: Sanchez Varretti, Fabricio Orlando. Universidad Tecnologica Nacional. Facultad Regional San Rafael; Argentina. 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: García, Guillermo Daniel. Universidad Tecnologica Nacional. Facultad Regional San Rafael; Argentina. 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
EQUILIBRIUM THERMODYNAMICS AND STATISTICAL MECHANICS
SURFACE THERMODYNAMICS
ADSORPTION ISOTHERMS
MULTILAYER ADSORPTION
MONTE CARLO SIMULATIONS
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/104422
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/104422
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Modeling multilayer adsorption of interacting polyatomic species on heterogeneous surfacesSanchez Varretti, Fabricio OrlandoGarcía, Guillermo DanielRamirez Pastor, Antonio JoseEQUILIBRIUM THERMODYNAMICS AND STATISTICAL MECHANICSSURFACE THERMODYNAMICSADSORPTION ISOTHERMSMULTILAYER ADSORPTIONMONTE CARLO SIMULATIONShttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1In the present work, a generalized lattice-gas model to study multilayer adsorption of interacting polyatomic species on heterogeneous surfaces is introduced. Using an approximation in the spirit of the well-known Brunauer–Emmet–Teller (BET) model, a new theoretical isotherm is obtained in one- and two-dimensional lattices and compared with Monte Carlo simulation. In addition, the BET approach is used to analyze these isotherms and to estimate the monolayer volume. In all cases, the application of the BET equation leads to an underestimate of the true monolayer capacity. However, significant compensation effects were observed for heterogeneous surfaces and attractive lateral interactions.Fil: Sanchez Varretti, Fabricio Orlando. Universidad Tecnologica Nacional. Facultad Regional San Rafael; Argentina. 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: García, Guillermo Daniel. Universidad Tecnologica Nacional. Facultad Regional San Rafael; Argentina. 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 Science2012-02-15info: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/11336/104422Sanchez Varretti, Fabricio Orlando; García, Guillermo Daniel; Ramirez Pastor, Antonio Jose; Modeling multilayer adsorption of interacting polyatomic species on heterogeneous surfaces; Elsevier Science; Physica A: Statistical Mechanics and its Applications; 391; 4; 15-2-2012; 1158-11710378-4371CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.physa.2011.11.019info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0378437111008545info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:44:32Zoai:ri.conicet.gov.ar:11336/104422instacron: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:34982025-09-03 09:44:32.574CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Modeling multilayer adsorption of interacting polyatomic species on heterogeneous surfaces
title Modeling multilayer adsorption of interacting polyatomic species on heterogeneous surfaces
spellingShingle Modeling multilayer adsorption of interacting polyatomic species on heterogeneous surfaces
Sanchez Varretti, Fabricio Orlando
EQUILIBRIUM THERMODYNAMICS AND STATISTICAL MECHANICS
SURFACE THERMODYNAMICS
ADSORPTION ISOTHERMS
MULTILAYER ADSORPTION
MONTE CARLO SIMULATIONS
title_short Modeling multilayer adsorption of interacting polyatomic species on heterogeneous surfaces
title_full Modeling multilayer adsorption of interacting polyatomic species on heterogeneous surfaces
title_fullStr Modeling multilayer adsorption of interacting polyatomic species on heterogeneous surfaces
title_full_unstemmed Modeling multilayer adsorption of interacting polyatomic species on heterogeneous surfaces
title_sort Modeling multilayer adsorption of interacting polyatomic species on heterogeneous surfaces
dc.creator.none.fl_str_mv Sanchez Varretti, Fabricio Orlando
García, Guillermo Daniel
Ramirez Pastor, Antonio Jose
author Sanchez Varretti, Fabricio Orlando
author_facet Sanchez Varretti, Fabricio Orlando
García, Guillermo Daniel
Ramirez Pastor, Antonio Jose
author_role author
author2 García, Guillermo Daniel
Ramirez Pastor, Antonio Jose
author2_role author
author
dc.subject.none.fl_str_mv EQUILIBRIUM THERMODYNAMICS AND STATISTICAL MECHANICS
SURFACE THERMODYNAMICS
ADSORPTION ISOTHERMS
MULTILAYER ADSORPTION
MONTE CARLO SIMULATIONS
topic EQUILIBRIUM THERMODYNAMICS AND STATISTICAL MECHANICS
SURFACE THERMODYNAMICS
ADSORPTION ISOTHERMS
MULTILAYER 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 In the present work, a generalized lattice-gas model to study multilayer adsorption of interacting polyatomic species on heterogeneous surfaces is introduced. Using an approximation in the spirit of the well-known Brunauer–Emmet–Teller (BET) model, a new theoretical isotherm is obtained in one- and two-dimensional lattices and compared with Monte Carlo simulation. In addition, the BET approach is used to analyze these isotherms and to estimate the monolayer volume. In all cases, the application of the BET equation leads to an underestimate of the true monolayer capacity. However, significant compensation effects were observed for heterogeneous surfaces and attractive lateral interactions.
Fil: Sanchez Varretti, Fabricio Orlando. Universidad Tecnologica Nacional. Facultad Regional San Rafael; Argentina. 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: García, Guillermo Daniel. Universidad Tecnologica Nacional. Facultad Regional San Rafael; Argentina. 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 In the present work, a generalized lattice-gas model to study multilayer adsorption of interacting polyatomic species on heterogeneous surfaces is introduced. Using an approximation in the spirit of the well-known Brunauer–Emmet–Teller (BET) model, a new theoretical isotherm is obtained in one- and two-dimensional lattices and compared with Monte Carlo simulation. In addition, the BET approach is used to analyze these isotherms and to estimate the monolayer volume. In all cases, the application of the BET equation leads to an underestimate of the true monolayer capacity. However, significant compensation effects were observed for heterogeneous surfaces and attractive lateral interactions.
publishDate 2012
dc.date.none.fl_str_mv 2012-02-15
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/11336/104422
Sanchez Varretti, Fabricio Orlando; García, Guillermo Daniel; Ramirez Pastor, Antonio Jose; Modeling multilayer adsorption of interacting polyatomic species on heterogeneous surfaces; Elsevier Science; Physica A: Statistical Mechanics and its Applications; 391; 4; 15-2-2012; 1158-1171
0378-4371
CONICET Digital
CONICET
url http://hdl.handle.net/11336/104422
identifier_str_mv Sanchez Varretti, Fabricio Orlando; García, Guillermo Daniel; Ramirez Pastor, Antonio Jose; Modeling multilayer adsorption of interacting polyatomic species on heterogeneous surfaces; Elsevier Science; Physica A: Statistical Mechanics and its Applications; 391; 4; 15-2-2012; 1158-1171
0378-4371
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1016/j.physa.2011.11.019
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0378437111008545
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-nd/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 13.13397

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