Statistical Thermodynamics of Long Straight Rigid Rods on Triangular Lattices: Nematic Order and Adsorption Thermodynamic Functions

Autores
Matoz Fernandez, Daniel Alejandro; Linares, D. H.; Ramirez Pastor, Antonio Jose
Año de publicación
2012
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The statistical thermodynamics of straight rigid rods of length k on triangular lattices was developed on a generalization in the spirit of the lattice-gas model and the classical Guggenheim-DiMarzio approximation. In this scheme, the Helmholtz free energy and its derivatives were written in terms of the order parameter, δ, which characterizes the nematic phase occurring in the system at intermediate densities. Then, using the principle of minimum free energy with δ as a parameter, the main adsorption properties were calculated. Comparisons with Monte Carlo simulations and experimental data were performed in order to evaluate the outcome and limitations of the theoretical model.
Fil: Matoz Fernandez, Daniel Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina. Universidad Nacional de San Luis; Argentina
Fil: Linares, D. H.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina. Universidad Nacional de San Luis; Argentina
Fil: Ramirez Pastor, Antonio Jose. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina. Universidad Nacional de San Luis; Argentina
Materia
Statistical Thermodynamics
Adsorption
Monte Carlo
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:11336/14078
Acceder
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network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Statistical Thermodynamics of Long Straight Rigid Rods on Triangular Lattices: Nematic Order and Adsorption Thermodynamic FunctionsMatoz Fernandez, Daniel AlejandroLinares, D. H.Ramirez Pastor, Antonio JoseStatistical ThermodynamicsAdsorptionMonte Carlohttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1The statistical thermodynamics of straight rigid rods of length k on triangular lattices was developed on a generalization in the spirit of the lattice-gas model and the classical Guggenheim-DiMarzio approximation. In this scheme, the Helmholtz free energy and its derivatives were written in terms of the order parameter, δ, which characterizes the nematic phase occurring in the system at intermediate densities. Then, using the principle of minimum free energy with δ as a parameter, the main adsorption properties were calculated. Comparisons with Monte Carlo simulations and experimental data were performed in order to evaluate the outcome and limitations of the theoretical model.Fil: Matoz Fernandez, Daniel Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina. Universidad Nacional de San Luis; ArgentinaFil: Linares, D. H.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina. Universidad Nacional de San Luis; ArgentinaFil: Ramirez Pastor, Antonio Jose. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina. Universidad Nacional de San Luis; ArgentinaAmerican Chemical Society2012-08info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/14078Matoz Fernandez, Daniel Alejandro; Linares, D. H.; Ramirez Pastor, Antonio Jose; Statistical Thermodynamics of Long Straight Rigid Rods on Triangular Lattices: Nematic Order and Adsorption Thermodynamic Functions; American Chemical Society; Langmuir; 28; 35; 8-2012; 12788-127950743-7463enginfo:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/abs/10.1021/la302268hinfo:eu-repo/semantics/altIdentifier/doi/10.1021/la302268hinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T10:03:34Zoai:ri.conicet.gov.ar:11336/14078instacron: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 10:03:34.53CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Statistical Thermodynamics of Long Straight Rigid Rods on Triangular Lattices: Nematic Order and Adsorption Thermodynamic Functions
title Statistical Thermodynamics of Long Straight Rigid Rods on Triangular Lattices: Nematic Order and Adsorption Thermodynamic Functions
spellingShingle Statistical Thermodynamics of Long Straight Rigid Rods on Triangular Lattices: Nematic Order and Adsorption Thermodynamic Functions
Matoz Fernandez, Daniel Alejandro
Statistical Thermodynamics
Adsorption
Monte Carlo
title_short Statistical Thermodynamics of Long Straight Rigid Rods on Triangular Lattices: Nematic Order and Adsorption Thermodynamic Functions
title_full Statistical Thermodynamics of Long Straight Rigid Rods on Triangular Lattices: Nematic Order and Adsorption Thermodynamic Functions
title_fullStr Statistical Thermodynamics of Long Straight Rigid Rods on Triangular Lattices: Nematic Order and Adsorption Thermodynamic Functions
title_full_unstemmed Statistical Thermodynamics of Long Straight Rigid Rods on Triangular Lattices: Nematic Order and Adsorption Thermodynamic Functions
title_sort Statistical Thermodynamics of Long Straight Rigid Rods on Triangular Lattices: Nematic Order and Adsorption Thermodynamic Functions
dc.creator.none.fl_str_mv Matoz Fernandez, Daniel Alejandro
Linares, D. H.
Ramirez Pastor, Antonio Jose
author Matoz Fernandez, Daniel Alejandro
author_facet Matoz Fernandez, Daniel Alejandro
Linares, D. H.
Ramirez Pastor, Antonio Jose
author_role author
author2 Linares, D. H.
Ramirez Pastor, Antonio Jose
author2_role author
author
dc.subject.none.fl_str_mv Statistical Thermodynamics
Adsorption
Monte Carlo
topic Statistical Thermodynamics
Adsorption
Monte Carlo
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 statistical thermodynamics of straight rigid rods of length k on triangular lattices was developed on a generalization in the spirit of the lattice-gas model and the classical Guggenheim-DiMarzio approximation. In this scheme, the Helmholtz free energy and its derivatives were written in terms of the order parameter, δ, which characterizes the nematic phase occurring in the system at intermediate densities. Then, using the principle of minimum free energy with δ as a parameter, the main adsorption properties were calculated. Comparisons with Monte Carlo simulations and experimental data were performed in order to evaluate the outcome and limitations of the theoretical model.
Fil: Matoz Fernandez, Daniel Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina. Universidad Nacional de San Luis; Argentina
Fil: Linares, D. H.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina. Universidad Nacional de San Luis; Argentina
Fil: Ramirez Pastor, Antonio Jose. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina. Universidad Nacional de San Luis; Argentina
description The statistical thermodynamics of straight rigid rods of length k on triangular lattices was developed on a generalization in the spirit of the lattice-gas model and the classical Guggenheim-DiMarzio approximation. In this scheme, the Helmholtz free energy and its derivatives were written in terms of the order parameter, δ, which characterizes the nematic phase occurring in the system at intermediate densities. Then, using the principle of minimum free energy with δ as a parameter, the main adsorption properties were calculated. Comparisons with Monte Carlo simulations and experimental data were performed in order to evaluate the outcome and limitations of the theoretical model.
publishDate 2012
dc.date.none.fl_str_mv 2012-08
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/11336/14078
Matoz Fernandez, Daniel Alejandro; Linares, D. H.; Ramirez Pastor, Antonio Jose; Statistical Thermodynamics of Long Straight Rigid Rods on Triangular Lattices: Nematic Order and Adsorption Thermodynamic Functions; American Chemical Society; Langmuir; 28; 35; 8-2012; 12788-12795
0743-7463
url http://hdl.handle.net/11336/14078
identifier_str_mv Matoz Fernandez, Daniel Alejandro; Linares, D. H.; Ramirez Pastor, Antonio Jose; Statistical Thermodynamics of Long Straight Rigid Rods on Triangular Lattices: Nematic Order and Adsorption Thermodynamic Functions; American Chemical Society; Langmuir; 28; 35; 8-2012; 12788-12795
0743-7463
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/abs/10.1021/la302268h
info:eu-repo/semantics/altIdentifier/doi/10.1021/la302268h
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
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_ 1842269807470182400
score 13.13397

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