Histogram-based methodology for the determination of the critical point in condensation-evaporation systems

Autores
Dos Santos Mendez, Gonzalo Joaquín; Linares, Daniel Humberto; Ramirez Pastor, Antonio Jose
Año de publicación
2017
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
A methodology based on a combination of the histogram reweighting technique and the fourth order Binder cumulant was developed to determine the critical point in generalized condensation-evaporation systems. This methodology was applied, particularly, to the study of the critical point of the condensation transition for linear molecules adsorbed on square lattices. The results were obtained by means of grand canonical Monte Carlo simulations within the lattice gas model, along with finite size scaling. The method was tested in a system of interacting monomers, in which the critical point can be determined exactly. Furthermore, the application of this method to the determination of the critical point in dimer systems with attractive interactions, gave better results than the previous reported studies. In addition, the adsorption isotherms at different temperatures, as well as the phase diagrams for monomer and dimer systems were obtained, achieving significant improvements in the phase diagram for dimers.
Fil: Dos Santos Mendez, Gonzalo Joaquín. 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
Classical Monte Carlo Simulations
Classical Phase Transitions
Discrete Fluid Models
Finite-Size Scaling
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:11336/63860
Acceder
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spelling Histogram-based methodology for the determination of the critical point in condensation-evaporation systemsDos Santos Mendez, Gonzalo JoaquínLinares, Daniel HumbertoRamirez Pastor, Antonio JoseClassical Monte Carlo SimulationsClassical Phase TransitionsDiscrete Fluid ModelsFinite-Size Scalinghttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1A methodology based on a combination of the histogram reweighting technique and the fourth order Binder cumulant was developed to determine the critical point in generalized condensation-evaporation systems. This methodology was applied, particularly, to the study of the critical point of the condensation transition for linear molecules adsorbed on square lattices. The results were obtained by means of grand canonical Monte Carlo simulations within the lattice gas model, along with finite size scaling. The method was tested in a system of interacting monomers, in which the critical point can be determined exactly. Furthermore, the application of this method to the determination of the critical point in dimer systems with attractive interactions, gave better results than the previous reported studies. In addition, the adsorption isotherms at different temperatures, as well as the phase diagrams for monomer and dimer systems were obtained, achieving significant improvements in the phase diagram for dimers.Fil: Dos Santos Mendez, Gonzalo Joaquín. 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"; ArgentinaIOP Publishing2017-07-28info: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/11336/63860Dos Santos Mendez, Gonzalo Joaquín; Linares, Daniel Humberto; Ramirez Pastor, Antonio Jose; Histogram-based methodology for the determination of the critical point in condensation-evaporation systems; IOP Publishing; Journal of Statistical Mechanics: Theory and Experiment; 2017; 7; 28-7-20171742-5468CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1088/1742-5468/aa7df2info:eu-repo/semantics/altIdentifier/url/http://iopscience.iop.org/article/10.1088/1742-5468/aa7df2/metainfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T11:12:30Zoai:ri.conicet.gov.ar:11336/63860instacron: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:34982025-10-22 11:12:31.289CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Histogram-based methodology for the determination of the critical point in condensation-evaporation systems
title Histogram-based methodology for the determination of the critical point in condensation-evaporation systems
spellingShingle Histogram-based methodology for the determination of the critical point in condensation-evaporation systems
Dos Santos Mendez, Gonzalo Joaquín
Classical Monte Carlo Simulations
Classical Phase Transitions
Discrete Fluid Models
Finite-Size Scaling
title_short Histogram-based methodology for the determination of the critical point in condensation-evaporation systems
title_full Histogram-based methodology for the determination of the critical point in condensation-evaporation systems
title_fullStr Histogram-based methodology for the determination of the critical point in condensation-evaporation systems
title_full_unstemmed Histogram-based methodology for the determination of the critical point in condensation-evaporation systems
title_sort Histogram-based methodology for the determination of the critical point in condensation-evaporation systems
dc.creator.none.fl_str_mv Dos Santos Mendez, Gonzalo Joaquín
Linares, Daniel Humberto
Ramirez Pastor, Antonio Jose
author Dos Santos Mendez, Gonzalo Joaquín
author_facet Dos Santos Mendez, Gonzalo Joaquín
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 Classical Monte Carlo Simulations
Classical Phase Transitions
Discrete Fluid Models
Finite-Size Scaling
topic Classical Monte Carlo Simulations
Classical Phase Transitions
Discrete Fluid Models
Finite-Size Scaling
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv A methodology based on a combination of the histogram reweighting technique and the fourth order Binder cumulant was developed to determine the critical point in generalized condensation-evaporation systems. This methodology was applied, particularly, to the study of the critical point of the condensation transition for linear molecules adsorbed on square lattices. The results were obtained by means of grand canonical Monte Carlo simulations within the lattice gas model, along with finite size scaling. The method was tested in a system of interacting monomers, in which the critical point can be determined exactly. Furthermore, the application of this method to the determination of the critical point in dimer systems with attractive interactions, gave better results than the previous reported studies. In addition, the adsorption isotherms at different temperatures, as well as the phase diagrams for monomer and dimer systems were obtained, achieving significant improvements in the phase diagram for dimers.
Fil: Dos Santos Mendez, Gonzalo Joaquín. 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 A methodology based on a combination of the histogram reweighting technique and the fourth order Binder cumulant was developed to determine the critical point in generalized condensation-evaporation systems. This methodology was applied, particularly, to the study of the critical point of the condensation transition for linear molecules adsorbed on square lattices. The results were obtained by means of grand canonical Monte Carlo simulations within the lattice gas model, along with finite size scaling. The method was tested in a system of interacting monomers, in which the critical point can be determined exactly. Furthermore, the application of this method to the determination of the critical point in dimer systems with attractive interactions, gave better results than the previous reported studies. In addition, the adsorption isotherms at different temperatures, as well as the phase diagrams for monomer and dimer systems were obtained, achieving significant improvements in the phase diagram for dimers.
publishDate 2017
dc.date.none.fl_str_mv 2017-07-28
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/11336/63860
Dos Santos Mendez, Gonzalo Joaquín; Linares, Daniel Humberto; Ramirez Pastor, Antonio Jose; Histogram-based methodology for the determination of the critical point in condensation-evaporation systems; IOP Publishing; Journal of Statistical Mechanics: Theory and Experiment; 2017; 7; 28-7-2017
1742-5468
CONICET Digital
CONICET
url http://hdl.handle.net/11336/63860
identifier_str_mv Dos Santos Mendez, Gonzalo Joaquín; Linares, Daniel Humberto; Ramirez Pastor, Antonio Jose; Histogram-based methodology for the determination of the critical point in condensation-evaporation systems; IOP Publishing; Journal of Statistical Mechanics: Theory and Experiment; 2017; 7; 28-7-2017
1742-5468
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1088/1742-5468/aa7df2
info:eu-repo/semantics/altIdentifier/url/http://iopscience.iop.org/article/10.1088/1742-5468/aa7df2/meta
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 IOP Publishing
publisher.none.fl_str_mv IOP Publishing
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 12.982451

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