A new theoretical approach to multilayer adsorption of polyatomics

Autores
Romá, Federico José; Ramirez Pastor, Antonio Jose; Riccardo, Jose Luis
Año de publicación
2005
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The multilayer adsorption isotherms of linear particles (k-mers) on homogeneous surfaces were developed on a generalization in the spirit of the well-known Brunauer-Emmet-Teller's approach. The generalized equation is obtained through an analytical approach that provides the isotherm in the multilayer regime from the isotherm in the monolayer regime. The formalism leads to exact results in one dimension and provides an analytical approximation to study multilayer adsorption on two-dimensional surfaces with different geometries (square, honeycomb and triangular). The entropic effects of the nonspherical character of the adparticles on the determination of the monolayer volume and adsorption energy, are shown and discussed for type II and type III isotherms. Comparison with Monte Carlo simulations in the grand canonical ensemble and experimental adsorption isotherms are used to test the accuracy and reliability of the model. Close agreement between simulated, theoretical and experimental results supports the applicability of the proposed model to describe multilayer adsorption in presence of multisite-occupancy.
Fil: Romá, Federico José. 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
Fil: Riccardo, Jose Luis. 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
ADSORPTION ISOTHERMS
EQUILIBRIUM THERMODYNAMICS AND STATISTICAL MECHANICS
MONTE CARLO SIMULATIONS
SURFACE THERMODYNAMICS
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:11336/138665
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/138665
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling A new theoretical approach to multilayer adsorption of polyatomicsRomá, Federico JoséRamirez Pastor, Antonio JoseRiccardo, Jose LuisADSORPTION ISOTHERMSEQUILIBRIUM THERMODYNAMICS AND STATISTICAL MECHANICSMONTE CARLO SIMULATIONSSURFACE THERMODYNAMICShttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1The multilayer adsorption isotherms of linear particles (k-mers) on homogeneous surfaces were developed on a generalization in the spirit of the well-known Brunauer-Emmet-Teller's approach. The generalized equation is obtained through an analytical approach that provides the isotherm in the multilayer regime from the isotherm in the monolayer regime. The formalism leads to exact results in one dimension and provides an analytical approximation to study multilayer adsorption on two-dimensional surfaces with different geometries (square, honeycomb and triangular). The entropic effects of the nonspherical character of the adparticles on the determination of the monolayer volume and adsorption energy, are shown and discussed for type II and type III isotherms. Comparison with Monte Carlo simulations in the grand canonical ensemble and experimental adsorption isotherms are used to test the accuracy and reliability of the model. Close agreement between simulated, theoretical and experimental results supports the applicability of the proposed model to describe multilayer adsorption in presence of multisite-occupancy.Fil: Romá, Federico José. 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"; ArgentinaFil: Riccardo, Jose Luis. 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 Science2005-06-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/138665Romá, Federico José; Ramirez Pastor, Antonio Jose; Riccardo, Jose Luis; A new theoretical approach to multilayer adsorption of polyatomics; Elsevier Science; Surface Science; 583; 2-3; 1-6-2005; 213-2280039-6028CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0039602805003213info:eu-repo/semantics/altIdentifier/doi/10.1016/j.susc.2005.02.058info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:59:57Zoai:ri.conicet.gov.ar:11336/138665instacron: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 09:59:57.967CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv A new theoretical approach to multilayer adsorption of polyatomics
title A new theoretical approach to multilayer adsorption of polyatomics
spellingShingle A new theoretical approach to multilayer adsorption of polyatomics
Romá, Federico José
ADSORPTION ISOTHERMS
EQUILIBRIUM THERMODYNAMICS AND STATISTICAL MECHANICS
MONTE CARLO SIMULATIONS
SURFACE THERMODYNAMICS
title_short A new theoretical approach to multilayer adsorption of polyatomics
title_full A new theoretical approach to multilayer adsorption of polyatomics
title_fullStr A new theoretical approach to multilayer adsorption of polyatomics
title_full_unstemmed A new theoretical approach to multilayer adsorption of polyatomics
title_sort A new theoretical approach to multilayer adsorption of polyatomics
dc.creator.none.fl_str_mv Romá, Federico José
Ramirez Pastor, Antonio Jose
Riccardo, Jose Luis
author Romá, Federico José
author_facet Romá, Federico José
Ramirez Pastor, Antonio Jose
Riccardo, Jose Luis
author_role author
author2 Ramirez Pastor, Antonio Jose
Riccardo, Jose Luis
author2_role author
author
dc.subject.none.fl_str_mv ADSORPTION ISOTHERMS
EQUILIBRIUM THERMODYNAMICS AND STATISTICAL MECHANICS
MONTE CARLO SIMULATIONS
SURFACE THERMODYNAMICS
topic ADSORPTION ISOTHERMS
EQUILIBRIUM THERMODYNAMICS AND STATISTICAL MECHANICS
MONTE CARLO SIMULATIONS
SURFACE THERMODYNAMICS
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 multilayer adsorption isotherms of linear particles (k-mers) on homogeneous surfaces were developed on a generalization in the spirit of the well-known Brunauer-Emmet-Teller's approach. The generalized equation is obtained through an analytical approach that provides the isotherm in the multilayer regime from the isotherm in the monolayer regime. The formalism leads to exact results in one dimension and provides an analytical approximation to study multilayer adsorption on two-dimensional surfaces with different geometries (square, honeycomb and triangular). The entropic effects of the nonspherical character of the adparticles on the determination of the monolayer volume and adsorption energy, are shown and discussed for type II and type III isotherms. Comparison with Monte Carlo simulations in the grand canonical ensemble and experimental adsorption isotherms are used to test the accuracy and reliability of the model. Close agreement between simulated, theoretical and experimental results supports the applicability of the proposed model to describe multilayer adsorption in presence of multisite-occupancy.
Fil: Romá, Federico José. 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
Fil: Riccardo, Jose Luis. 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 multilayer adsorption isotherms of linear particles (k-mers) on homogeneous surfaces were developed on a generalization in the spirit of the well-known Brunauer-Emmet-Teller's approach. The generalized equation is obtained through an analytical approach that provides the isotherm in the multilayer regime from the isotherm in the monolayer regime. The formalism leads to exact results in one dimension and provides an analytical approximation to study multilayer adsorption on two-dimensional surfaces with different geometries (square, honeycomb and triangular). The entropic effects of the nonspherical character of the adparticles on the determination of the monolayer volume and adsorption energy, are shown and discussed for type II and type III isotherms. Comparison with Monte Carlo simulations in the grand canonical ensemble and experimental adsorption isotherms are used to test the accuracy and reliability of the model. Close agreement between simulated, theoretical and experimental results supports the applicability of the proposed model to describe multilayer adsorption in presence of multisite-occupancy.
publishDate 2005
dc.date.none.fl_str_mv 2005-06-01
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/11336/138665
Romá, Federico José; Ramirez Pastor, Antonio Jose; Riccardo, Jose Luis; A new theoretical approach to multilayer adsorption of polyatomics; Elsevier Science; Surface Science; 583; 2-3; 1-6-2005; 213-228
0039-6028
CONICET Digital
CONICET
url http://hdl.handle.net/11336/138665
identifier_str_mv Romá, Federico José; Ramirez Pastor, Antonio Jose; Riccardo, Jose Luis; A new theoretical approach to multilayer adsorption of polyatomics; Elsevier Science; Surface Science; 583; 2-3; 1-6-2005; 213-228
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/pii/S0039602805003213
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.susc.2005.02.058
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
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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