Correlation functions in mixtures with energetically favoured nearest neighbours of different kind: A size-asymmetric case

Autores
Patsahan, O.; Meyra, Ariel German; Ciach, A.
Año de publicación
2020
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Binary mixtures of hard spheres with different diameters and square-well attraction between different particles are studied by theory and Monte Carlo simulations. In our mesoscopic theory, local fluctuations of the volume fraction of the two components are taken into account. Semi-quantitative agreement between the simulation and theoretical results is obtained, except from very small distances. The correlation functions exhibit exponentially damped oscillations, with the period determined by the interaction potential, and both the amplitude and the correlation length increasing significantly with increasing diameter ratio. Increasing size asymmetry leads also to decreasing fluctuations of the number of the smaller particles in the attractive shell of the bigger ones. For small size asymmetry, the strongest correlations occur for comparable volume fraction of the two components. When the size ratio increases, the maximum of the structure factor moves to a larger volume fraction of the bigger particles, and for the size ratio as large as 4, the maximum goes beyond the accessible range of volume fractions. Our results show that when the neighbourhood of different particles is energetically favoured, the particles are much more uniformly distributed than in the random distribution even at relatively high temperature, especially for large size asymmetry.
Fil: Patsahan, O.. National Academy of Sciences of Ukraine. Institute for Condensed Matter Physics; Ucrania
Fil: Meyra, Ariel German. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física de Líquidos y Sistemas Biológicos. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física de Líquidos y Sistemas Biológicos; Argentina
Fil: Ciach, A.. Polish Academy of Sciences; Argentina
Materia
BINARY MIXTURE
CORRELATION FUNCTIONS
MESOSCOPIC THEORY
MONTE CARLO SIMULATIONS
SIZE ASYMMETRY
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:11336/154989
Acceder
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network_acronym_str CONICETDig
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network_name_str CONICET Digital (CONICET)
spelling Correlation functions in mixtures with energetically favoured nearest neighbours of different kind: A size-asymmetric casePatsahan, O.Meyra, Ariel GermanCiach, A.BINARY MIXTURECORRELATION FUNCTIONSMESOSCOPIC THEORYMONTE CARLO SIMULATIONSSIZE ASYMMETRYhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1Binary mixtures of hard spheres with different diameters and square-well attraction between different particles are studied by theory and Monte Carlo simulations. In our mesoscopic theory, local fluctuations of the volume fraction of the two components are taken into account. Semi-quantitative agreement between the simulation and theoretical results is obtained, except from very small distances. The correlation functions exhibit exponentially damped oscillations, with the period determined by the interaction potential, and both the amplitude and the correlation length increasing significantly with increasing diameter ratio. Increasing size asymmetry leads also to decreasing fluctuations of the number of the smaller particles in the attractive shell of the bigger ones. For small size asymmetry, the strongest correlations occur for comparable volume fraction of the two components. When the size ratio increases, the maximum of the structure factor moves to a larger volume fraction of the bigger particles, and for the size ratio as large as 4, the maximum goes beyond the accessible range of volume fractions. Our results show that when the neighbourhood of different particles is energetically favoured, the particles are much more uniformly distributed than in the random distribution even at relatively high temperature, especially for large size asymmetry.Fil: Patsahan, O.. National Academy of Sciences of Ukraine. Institute for Condensed Matter Physics; UcraniaFil: Meyra, Ariel German. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física de Líquidos y Sistemas Biológicos. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física de Líquidos y Sistemas Biológicos; ArgentinaFil: Ciach, A.. Polish Academy of Sciences; ArgentinaTaylor & Francis Ltd2020-09-14info: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/11336/154989Patsahan, O.; Meyra, Ariel German; Ciach, A.; Correlation functions in mixtures with energetically favoured nearest neighbours of different kind: A size-asymmetric case; Taylor & Francis Ltd; Molecular Physics; 119; 15-16; 14-9-2020; 1-160026-8976CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1080/00268976.2020.1820091info:eu-repo/semantics/altIdentifier/url/https://www.tandfonline.com/doi/full/10.1080/00268976.2020.1820091info:eu-repo/semantics/altIdentifier/url/https://arxiv.org/abs/2006.09782info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:21:12Zoai:ri.conicet.gov.ar:11336/154989instacron: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 10:21:12.868CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Correlation functions in mixtures with energetically favoured nearest neighbours of different kind: A size-asymmetric case
title Correlation functions in mixtures with energetically favoured nearest neighbours of different kind: A size-asymmetric case
spellingShingle Correlation functions in mixtures with energetically favoured nearest neighbours of different kind: A size-asymmetric case
Patsahan, O.
BINARY MIXTURE
CORRELATION FUNCTIONS
MESOSCOPIC THEORY
MONTE CARLO SIMULATIONS
SIZE ASYMMETRY
title_short Correlation functions in mixtures with energetically favoured nearest neighbours of different kind: A size-asymmetric case
title_full Correlation functions in mixtures with energetically favoured nearest neighbours of different kind: A size-asymmetric case
title_fullStr Correlation functions in mixtures with energetically favoured nearest neighbours of different kind: A size-asymmetric case
title_full_unstemmed Correlation functions in mixtures with energetically favoured nearest neighbours of different kind: A size-asymmetric case
title_sort Correlation functions in mixtures with energetically favoured nearest neighbours of different kind: A size-asymmetric case
dc.creator.none.fl_str_mv Patsahan, O.
Meyra, Ariel German
Ciach, A.
author Patsahan, O.
author_facet Patsahan, O.
Meyra, Ariel German
Ciach, A.
author_role author
author2 Meyra, Ariel German
Ciach, A.
author2_role author
author
dc.subject.none.fl_str_mv BINARY MIXTURE
CORRELATION FUNCTIONS
MESOSCOPIC THEORY
MONTE CARLO SIMULATIONS
SIZE ASYMMETRY
topic BINARY MIXTURE
CORRELATION FUNCTIONS
MESOSCOPIC THEORY
MONTE CARLO SIMULATIONS
SIZE ASYMMETRY
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Binary mixtures of hard spheres with different diameters and square-well attraction between different particles are studied by theory and Monte Carlo simulations. In our mesoscopic theory, local fluctuations of the volume fraction of the two components are taken into account. Semi-quantitative agreement between the simulation and theoretical results is obtained, except from very small distances. The correlation functions exhibit exponentially damped oscillations, with the period determined by the interaction potential, and both the amplitude and the correlation length increasing significantly with increasing diameter ratio. Increasing size asymmetry leads also to decreasing fluctuations of the number of the smaller particles in the attractive shell of the bigger ones. For small size asymmetry, the strongest correlations occur for comparable volume fraction of the two components. When the size ratio increases, the maximum of the structure factor moves to a larger volume fraction of the bigger particles, and for the size ratio as large as 4, the maximum goes beyond the accessible range of volume fractions. Our results show that when the neighbourhood of different particles is energetically favoured, the particles are much more uniformly distributed than in the random distribution even at relatively high temperature, especially for large size asymmetry.
Fil: Patsahan, O.. National Academy of Sciences of Ukraine. Institute for Condensed Matter Physics; Ucrania
Fil: Meyra, Ariel German. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física de Líquidos y Sistemas Biológicos. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física de Líquidos y Sistemas Biológicos; Argentina
Fil: Ciach, A.. Polish Academy of Sciences; Argentina
description Binary mixtures of hard spheres with different diameters and square-well attraction between different particles are studied by theory and Monte Carlo simulations. In our mesoscopic theory, local fluctuations of the volume fraction of the two components are taken into account. Semi-quantitative agreement between the simulation and theoretical results is obtained, except from very small distances. The correlation functions exhibit exponentially damped oscillations, with the period determined by the interaction potential, and both the amplitude and the correlation length increasing significantly with increasing diameter ratio. Increasing size asymmetry leads also to decreasing fluctuations of the number of the smaller particles in the attractive shell of the bigger ones. For small size asymmetry, the strongest correlations occur for comparable volume fraction of the two components. When the size ratio increases, the maximum of the structure factor moves to a larger volume fraction of the bigger particles, and for the size ratio as large as 4, the maximum goes beyond the accessible range of volume fractions. Our results show that when the neighbourhood of different particles is energetically favoured, the particles are much more uniformly distributed than in the random distribution even at relatively high temperature, especially for large size asymmetry.
publishDate 2020
dc.date.none.fl_str_mv 2020-09-14
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/11336/154989
Patsahan, O.; Meyra, Ariel German; Ciach, A.; Correlation functions in mixtures with energetically favoured nearest neighbours of different kind: A size-asymmetric case; Taylor & Francis Ltd; Molecular Physics; 119; 15-16; 14-9-2020; 1-16
0026-8976
CONICET Digital
CONICET
url http://hdl.handle.net/11336/154989
identifier_str_mv Patsahan, O.; Meyra, Ariel German; Ciach, A.; Correlation functions in mixtures with energetically favoured nearest neighbours of different kind: A size-asymmetric case; Taylor & Francis Ltd; Molecular Physics; 119; 15-16; 14-9-2020; 1-16
0026-8976
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1080/00268976.2020.1820091
info:eu-repo/semantics/altIdentifier/url/https://www.tandfonline.com/doi/full/10.1080/00268976.2020.1820091
info:eu-repo/semantics/altIdentifier/url/https://arxiv.org/abs/2006.09782
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 Taylor & Francis Ltd
publisher.none.fl_str_mv Taylor & Francis Ltd
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 13.070432

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