New Isotherm for Multisite Occupancy Adsorption of Long, Straight Rigid Rods

Autores
Matoz Fernandez, Daniel Alejandro; Linares, Daniel Humberto; Ramirez Pastor, Antonio Jose
Año de publicación
2011
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The adsorption of long, straight rigid rods of length k (k-mers) on 2D lattices is described by using a new theoretical approach based on a generalization of the classical Guggenheim−DiMarzio approximation. In this scheme, the Helmholtz free energy and its derivatives are 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 are calculated. Comparisons with Monte Carlo simulations are performed in order to test the validity of the theoretical model. The obtained results indicate that the new thermodynamic description is significantly better than the existing theoretical models developed to treat the polymer adsorption problem.
Fil: Matoz Fernandez, Daniel Alejandro. 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: Linares, Daniel Humberto. 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
ISOTHERM
ISOTROPIC NEMATIC
MONTE CARLO SIMULATION
APPROXIMATION
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:11336/104440
Acceder
id CONICETDig_a048450ee13532d157b2824bb49e44bf
oai_identifier_str oai:ri.conicet.gov.ar:11336/104440
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling New Isotherm for Multisite Occupancy Adsorption of Long, Straight Rigid RodsMatoz Fernandez, Daniel AlejandroLinares, Daniel HumbertoRamirez Pastor, Antonio JoseISOTHERMISOTROPIC NEMATICMONTE CARLO SIMULATIONAPPROXIMATIONhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1The adsorption of long, straight rigid rods of length k (k-mers) on 2D lattices is described by using a new theoretical approach based on a generalization of the classical Guggenheim−DiMarzio approximation. In this scheme, the Helmholtz free energy and its derivatives are 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 are calculated. Comparisons with Monte Carlo simulations are performed in order to test the validity of the theoretical model. The obtained results indicate that the new thermodynamic description is significantly better than the existing theoretical models developed to treat the polymer adsorption problem.Fil: Matoz Fernandez, Daniel Alejandro. 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: Linares, Daniel Humberto. 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"; ArgentinaAmerican Chemical Society2011-03-03info: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/11336/104440Matoz Fernandez, Daniel Alejandro; Linares, Daniel Humberto; Ramirez Pastor, Antonio Jose; New Isotherm for Multisite Occupancy Adsorption of Long, Straight Rigid Rods; American Chemical Society; Langmuir; 27; 6; 3-3-2011; 2456-24630743-74631520-5827CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/la104122hinfo:eu-repo/semantics/altIdentifier/doi/10.1021/la104122hinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-15T14:53:15Zoai:ri.conicet.gov.ar:11336/104440instacron: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:34982025-10-15 14:53:15.749CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv New Isotherm for Multisite Occupancy Adsorption of Long, Straight Rigid Rods
title New Isotherm for Multisite Occupancy Adsorption of Long, Straight Rigid Rods
spellingShingle New Isotherm for Multisite Occupancy Adsorption of Long, Straight Rigid Rods
Matoz Fernandez, Daniel Alejandro
ISOTHERM
ISOTROPIC NEMATIC
MONTE CARLO SIMULATION
APPROXIMATION
title_short New Isotherm for Multisite Occupancy Adsorption of Long, Straight Rigid Rods
title_full New Isotherm for Multisite Occupancy Adsorption of Long, Straight Rigid Rods
title_fullStr New Isotherm for Multisite Occupancy Adsorption of Long, Straight Rigid Rods
title_full_unstemmed New Isotherm for Multisite Occupancy Adsorption of Long, Straight Rigid Rods
title_sort New Isotherm for Multisite Occupancy Adsorption of Long, Straight Rigid Rods
dc.creator.none.fl_str_mv Matoz Fernandez, Daniel Alejandro
Linares, Daniel Humberto
Ramirez Pastor, Antonio Jose
author Matoz Fernandez, Daniel Alejandro
author_facet Matoz Fernandez, Daniel Alejandro
Linares, Daniel Humberto
Ramirez Pastor, Antonio Jose
author_role author
author2 Linares, Daniel Humberto
Ramirez Pastor, Antonio Jose
author2_role author
author
dc.subject.none.fl_str_mv ISOTHERM
ISOTROPIC NEMATIC
MONTE CARLO SIMULATION
APPROXIMATION
topic ISOTHERM
ISOTROPIC NEMATIC
MONTE CARLO SIMULATION
APPROXIMATION
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 adsorption of long, straight rigid rods of length k (k-mers) on 2D lattices is described by using a new theoretical approach based on a generalization of the classical Guggenheim−DiMarzio approximation. In this scheme, the Helmholtz free energy and its derivatives are 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 are calculated. Comparisons with Monte Carlo simulations are performed in order to test the validity of the theoretical model. The obtained results indicate that the new thermodynamic description is significantly better than the existing theoretical models developed to treat the polymer adsorption problem.
Fil: Matoz Fernandez, Daniel Alejandro. 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: Linares, Daniel Humberto. 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 adsorption of long, straight rigid rods of length k (k-mers) on 2D lattices is described by using a new theoretical approach based on a generalization of the classical Guggenheim−DiMarzio approximation. In this scheme, the Helmholtz free energy and its derivatives are 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 are calculated. Comparisons with Monte Carlo simulations are performed in order to test the validity of the theoretical model. The obtained results indicate that the new thermodynamic description is significantly better than the existing theoretical models developed to treat the polymer adsorption problem.
publishDate 2011
dc.date.none.fl_str_mv 2011-03-03
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/11336/104440
Matoz Fernandez, Daniel Alejandro; Linares, Daniel Humberto; Ramirez Pastor, Antonio Jose; New Isotherm for Multisite Occupancy Adsorption of Long, Straight Rigid Rods; American Chemical Society; Langmuir; 27; 6; 3-3-2011; 2456-2463
0743-7463
1520-5827
CONICET Digital
CONICET
url http://hdl.handle.net/11336/104440
identifier_str_mv Matoz Fernandez, Daniel Alejandro; Linares, Daniel Humberto; Ramirez Pastor, Antonio Jose; New Isotherm for Multisite Occupancy Adsorption of Long, Straight Rigid Rods; American Chemical Society; Langmuir; 27; 6; 3-3-2011; 2456-2463
0743-7463
1520-5827
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://pubs.acs.org/doi/10.1021/la104122h
info:eu-repo/semantics/altIdentifier/doi/10.1021/la104122h
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 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_ 1846083062847242240
score 13.22299

Publicaciones similares