Maximum cumulant method for studying condensation-evaporation phase transitions
- Autores
- Dos Santos Mendez, Gonzalo Joaquín; Linares, Daniel Humberto; Ramirez Pastor, Antonio Jose
- Año de publicación
- 2018
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- In a previous paper [G. J. dos Santos, D. H. Linares, and A. J. Ramirez-Pastor, J. Stat. Mech. (2017) 07321110.1088/1742-5468/aa7df2] a methodology for the determination of the critical point of the condensation phase transition occurring in monolayers of linear adsorbates (k-mers) was presented. The maximum cumulant method was developed from the phenomenological observation that the fourth-order Binder cumulant and the isotherm inflection point are produced at the same value of chemical potential. In the present work, mathematical arguments are presented to show analytically that the previously mentioned relationship is satisfied by evaporation-condensation systems under the conditions that: (i) the surface coverage distribution function is a bimodal distribution composed of a linear combination of two normalized functions g1(θ) and g2(θ) with zero overlap and mean values θ1 and θ2, respectively; and (ii) g1(θ) and g2(θ) are unimodal distributions that are symmetric with respect to the middle point (θ1+θ2)/2. In addition, numerical results from Monte Carlo simulations of four different adsorption-desorption systems (linear k-mers on square and triangular lattices, S-shaped k-mers on square lattices and k2-mers on square lattices) are presented to check the theoretical results and to provide evidence of the general validity and robustness of the method.
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. Universidad Nacional de San Luis. Facultad de Ciencias Físico- Matemáticas y Naturales; 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
-
CONDENSATION-EVAPORATION
PHASE TRANSITIONS
MONTE CARLO METHODS - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
- Repositorio
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/86514
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Maximum cumulant method for studying condensation-evaporation phase transitionsDos Santos Mendez, Gonzalo JoaquínLinares, Daniel HumbertoRamirez Pastor, Antonio JoseCONDENSATION-EVAPORATIONPHASE TRANSITIONSMONTE CARLO METHODShttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1In a previous paper [G. J. dos Santos, D. H. Linares, and A. J. Ramirez-Pastor, J. Stat. Mech. (2017) 07321110.1088/1742-5468/aa7df2] a methodology for the determination of the critical point of the condensation phase transition occurring in monolayers of linear adsorbates (k-mers) was presented. The maximum cumulant method was developed from the phenomenological observation that the fourth-order Binder cumulant and the isotherm inflection point are produced at the same value of chemical potential. In the present work, mathematical arguments are presented to show analytically that the previously mentioned relationship is satisfied by evaporation-condensation systems under the conditions that: (i) the surface coverage distribution function is a bimodal distribution composed of a linear combination of two normalized functions g1(θ) and g2(θ) with zero overlap and mean values θ1 and θ2, respectively; and (ii) g1(θ) and g2(θ) are unimodal distributions that are symmetric with respect to the middle point (θ1+θ2)/2. In addition, numerical results from Monte Carlo simulations of four different adsorption-desorption systems (linear k-mers on square and triangular lattices, S-shaped k-mers on square lattices and k2-mers on square lattices) are presented to check the theoretical results and to provide evidence of the general validity and robustness of the method.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. Universidad Nacional de San Luis. Facultad de Ciencias Físico- Matemáticas y Naturales; 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 Physical Society2018-09info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/86514Dos Santos Mendez, Gonzalo Joaquín; Linares, Daniel Humberto; Ramirez Pastor, Antonio Jose; Maximum cumulant method for studying condensation-evaporation phase transitions; American Physical Society; Physical Review E; 98; 3; 9-2018; 1-92470-0053CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevE.98.032134info:eu-repo/semantics/altIdentifier/url/https://journals.aps.org/pre/abstract/10.1103/PhysRevE.98.032134info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:04:15Zoai:ri.conicet.gov.ar:11336/86514instacron: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:34982025-09-29 10:04:16.122CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse |
dc.title.none.fl_str_mv |
Maximum cumulant method for studying condensation-evaporation phase transitions |
title |
Maximum cumulant method for studying condensation-evaporation phase transitions |
spellingShingle |
Maximum cumulant method for studying condensation-evaporation phase transitions Dos Santos Mendez, Gonzalo Joaquín CONDENSATION-EVAPORATION PHASE TRANSITIONS MONTE CARLO METHODS |
title_short |
Maximum cumulant method for studying condensation-evaporation phase transitions |
title_full |
Maximum cumulant method for studying condensation-evaporation phase transitions |
title_fullStr |
Maximum cumulant method for studying condensation-evaporation phase transitions |
title_full_unstemmed |
Maximum cumulant method for studying condensation-evaporation phase transitions |
title_sort |
Maximum cumulant method for studying condensation-evaporation phase transitions |
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 |
CONDENSATION-EVAPORATION PHASE TRANSITIONS MONTE CARLO METHODS |
topic |
CONDENSATION-EVAPORATION PHASE TRANSITIONS MONTE CARLO METHODS |
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 a previous paper [G. J. dos Santos, D. H. Linares, and A. J. Ramirez-Pastor, J. Stat. Mech. (2017) 07321110.1088/1742-5468/aa7df2] a methodology for the determination of the critical point of the condensation phase transition occurring in monolayers of linear adsorbates (k-mers) was presented. The maximum cumulant method was developed from the phenomenological observation that the fourth-order Binder cumulant and the isotherm inflection point are produced at the same value of chemical potential. In the present work, mathematical arguments are presented to show analytically that the previously mentioned relationship is satisfied by evaporation-condensation systems under the conditions that: (i) the surface coverage distribution function is a bimodal distribution composed of a linear combination of two normalized functions g1(θ) and g2(θ) with zero overlap and mean values θ1 and θ2, respectively; and (ii) g1(θ) and g2(θ) are unimodal distributions that are symmetric with respect to the middle point (θ1+θ2)/2. In addition, numerical results from Monte Carlo simulations of four different adsorption-desorption systems (linear k-mers on square and triangular lattices, S-shaped k-mers on square lattices and k2-mers on square lattices) are presented to check the theoretical results and to provide evidence of the general validity and robustness of the method. 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. Universidad Nacional de San Luis. Facultad de Ciencias Físico- Matemáticas y Naturales; 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 a previous paper [G. J. dos Santos, D. H. Linares, and A. J. Ramirez-Pastor, J. Stat. Mech. (2017) 07321110.1088/1742-5468/aa7df2] a methodology for the determination of the critical point of the condensation phase transition occurring in monolayers of linear adsorbates (k-mers) was presented. The maximum cumulant method was developed from the phenomenological observation that the fourth-order Binder cumulant and the isotherm inflection point are produced at the same value of chemical potential. In the present work, mathematical arguments are presented to show analytically that the previously mentioned relationship is satisfied by evaporation-condensation systems under the conditions that: (i) the surface coverage distribution function is a bimodal distribution composed of a linear combination of two normalized functions g1(θ) and g2(θ) with zero overlap and mean values θ1 and θ2, respectively; and (ii) g1(θ) and g2(θ) are unimodal distributions that are symmetric with respect to the middle point (θ1+θ2)/2. In addition, numerical results from Monte Carlo simulations of four different adsorption-desorption systems (linear k-mers on square and triangular lattices, S-shaped k-mers on square lattices and k2-mers on square lattices) are presented to check the theoretical results and to provide evidence of the general validity and robustness of the method. |
publishDate |
2018 |
dc.date.none.fl_str_mv |
2018-09 |
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/11336/86514 Dos Santos Mendez, Gonzalo Joaquín; Linares, Daniel Humberto; Ramirez Pastor, Antonio Jose; Maximum cumulant method for studying condensation-evaporation phase transitions; American Physical Society; Physical Review E; 98; 3; 9-2018; 1-9 2470-0053 CONICET Digital CONICET |
url |
http://hdl.handle.net/11336/86514 |
identifier_str_mv |
Dos Santos Mendez, Gonzalo Joaquín; Linares, Daniel Humberto; Ramirez Pastor, Antonio Jose; Maximum cumulant method for studying condensation-evaporation phase transitions; American Physical Society; Physical Review E; 98; 3; 9-2018; 1-9 2470-0053 CONICET Digital CONICET |
dc.language.none.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevE.98.032134 info:eu-repo/semantics/altIdentifier/url/https://journals.aps.org/pre/abstract/10.1103/PhysRevE.98.032134 |
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 |
dc.publisher.none.fl_str_mv |
American Physical Society |
publisher.none.fl_str_mv |
American Physical Society |
dc.source.none.fl_str_mv |
reponame:CONICET Digital (CONICET) instname:Consejo Nacional de Investigaciones Científicas y Técnicas |
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CONICET Digital (CONICET) |
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CONICET Digital (CONICET) |
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Consejo Nacional de Investigaciones Científicas y Técnicas |
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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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1844613867361009664 |
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13.070432 |