Short-time rheology and diffusion in suspensions of Yukawa-type colloidal particles

Autores
Heinen, Marco; Banchio, Adolfo Javier; Nägele, Gerhard
Año de publicación
2011
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
A comprehensive study is presented on the short-time dynamics in suspensions of charged colloidal spheres. The explored parameter space covers the major part of the fluid-state regime, with colloid concentrations extending up to the freezing transition. The particles are assumed to interact directly by a hard-core plus screened Coulomb potential, and indirectly by solvent-mediated hydrodynamic interactions. By comparison with accurate accelerated Stokesian Dynamics (ASD) simulations of the hydrodynamic function H(q), and the high-frequency viscosity η∞, we investigate the accuracy of two fast and easy-to-implement analytical schemes. The first scheme, referred to as the pairwise additive (PA) scheme, uses exact two-body hydrodynamic mobility tensors. It is in good agreement with the ASD simulations of H(q) and η∞, for smaller volume fractions up to about 10% and 20%, respectively. The second scheme is a hybrid method combining the virtues of the δγ scheme by Beenakker and Mazur with those of the PA scheme. It leads to predictions in good agreement with the simulation data, for all considered concentrations, combining thus precision with computational efficiency. The hybrid method is used to test the accuracy of a generalized Stokes-Einstein (GSE) relation proposed by Kholodenko and Douglas, showing its severe violation in low salinity systems. For hard spheres, however, this GSE relation applies decently well.
Fil: Heinen, Marco. Institute of Complex System; Alemania
Fil: Banchio, Adolfo Javier. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Física Enrique Gaviola. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; Argentina
Fil: Nägele, Gerhard. Institute of Complex System; Alemania
Materia
coloides
difusión a tiempos cortos
suspensiones coloidales
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:11336/278553
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/278553
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Short-time rheology and diffusion in suspensions of Yukawa-type colloidal particlesHeinen, MarcoBanchio, Adolfo JavierNägele, Gerhardcoloidesdifusión a tiempos cortossuspensiones coloidaleshttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1A comprehensive study is presented on the short-time dynamics in suspensions of charged colloidal spheres. The explored parameter space covers the major part of the fluid-state regime, with colloid concentrations extending up to the freezing transition. The particles are assumed to interact directly by a hard-core plus screened Coulomb potential, and indirectly by solvent-mediated hydrodynamic interactions. By comparison with accurate accelerated Stokesian Dynamics (ASD) simulations of the hydrodynamic function H(q), and the high-frequency viscosity η∞, we investigate the accuracy of two fast and easy-to-implement analytical schemes. The first scheme, referred to as the pairwise additive (PA) scheme, uses exact two-body hydrodynamic mobility tensors. It is in good agreement with the ASD simulations of H(q) and η∞, for smaller volume fractions up to about 10% and 20%, respectively. The second scheme is a hybrid method combining the virtues of the δγ scheme by Beenakker and Mazur with those of the PA scheme. It leads to predictions in good agreement with the simulation data, for all considered concentrations, combining thus precision with computational efficiency. The hybrid method is used to test the accuracy of a generalized Stokes-Einstein (GSE) relation proposed by Kholodenko and Douglas, showing its severe violation in low salinity systems. For hard spheres, however, this GSE relation applies decently well.Fil: Heinen, Marco. Institute of Complex System; AlemaniaFil: Banchio, Adolfo Javier. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Física Enrique Gaviola. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; ArgentinaFil: Nägele, Gerhard. Institute of Complex System; AlemaniaAmerican Institute of Physics2011-10info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/278553Heinen, Marco; Banchio, Adolfo Javier; Nägele, Gerhard; Short-time rheology and diffusion in suspensions of Yukawa-type colloidal particles; American Institute of Physics; Journal of Chemical Physics; 135; 15; 10-2011; 1-140021-9606CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1063/1.3646962info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2026-01-14T11:55:18Zoai:ri.conicet.gov.ar:11336/278553instacron: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:34982026-01-14 11:55:18.334CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Short-time rheology and diffusion in suspensions of Yukawa-type colloidal particles
title Short-time rheology and diffusion in suspensions of Yukawa-type colloidal particles
spellingShingle Short-time rheology and diffusion in suspensions of Yukawa-type colloidal particles
Heinen, Marco
coloides
difusión a tiempos cortos
suspensiones coloidales
title_short Short-time rheology and diffusion in suspensions of Yukawa-type colloidal particles
title_full Short-time rheology and diffusion in suspensions of Yukawa-type colloidal particles
title_fullStr Short-time rheology and diffusion in suspensions of Yukawa-type colloidal particles
title_full_unstemmed Short-time rheology and diffusion in suspensions of Yukawa-type colloidal particles
title_sort Short-time rheology and diffusion in suspensions of Yukawa-type colloidal particles
dc.creator.none.fl_str_mv Heinen, Marco
Banchio, Adolfo Javier
Nägele, Gerhard
author Heinen, Marco
author_facet Heinen, Marco
Banchio, Adolfo Javier
Nägele, Gerhard
author_role author
author2 Banchio, Adolfo Javier
Nägele, Gerhard
author2_role author
author
dc.subject.none.fl_str_mv coloides
difusión a tiempos cortos
suspensiones coloidales
topic coloides
difusión a tiempos cortos
suspensiones coloidales
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 comprehensive study is presented on the short-time dynamics in suspensions of charged colloidal spheres. The explored parameter space covers the major part of the fluid-state regime, with colloid concentrations extending up to the freezing transition. The particles are assumed to interact directly by a hard-core plus screened Coulomb potential, and indirectly by solvent-mediated hydrodynamic interactions. By comparison with accurate accelerated Stokesian Dynamics (ASD) simulations of the hydrodynamic function H(q), and the high-frequency viscosity η∞, we investigate the accuracy of two fast and easy-to-implement analytical schemes. The first scheme, referred to as the pairwise additive (PA) scheme, uses exact two-body hydrodynamic mobility tensors. It is in good agreement with the ASD simulations of H(q) and η∞, for smaller volume fractions up to about 10% and 20%, respectively. The second scheme is a hybrid method combining the virtues of the δγ scheme by Beenakker and Mazur with those of the PA scheme. It leads to predictions in good agreement with the simulation data, for all considered concentrations, combining thus precision with computational efficiency. The hybrid method is used to test the accuracy of a generalized Stokes-Einstein (GSE) relation proposed by Kholodenko and Douglas, showing its severe violation in low salinity systems. For hard spheres, however, this GSE relation applies decently well.
Fil: Heinen, Marco. Institute of Complex System; Alemania
Fil: Banchio, Adolfo Javier. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Física Enrique Gaviola. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; Argentina
Fil: Nägele, Gerhard. Institute of Complex System; Alemania
description A comprehensive study is presented on the short-time dynamics in suspensions of charged colloidal spheres. The explored parameter space covers the major part of the fluid-state regime, with colloid concentrations extending up to the freezing transition. The particles are assumed to interact directly by a hard-core plus screened Coulomb potential, and indirectly by solvent-mediated hydrodynamic interactions. By comparison with accurate accelerated Stokesian Dynamics (ASD) simulations of the hydrodynamic function H(q), and the high-frequency viscosity η∞, we investigate the accuracy of two fast and easy-to-implement analytical schemes. The first scheme, referred to as the pairwise additive (PA) scheme, uses exact two-body hydrodynamic mobility tensors. It is in good agreement with the ASD simulations of H(q) and η∞, for smaller volume fractions up to about 10% and 20%, respectively. The second scheme is a hybrid method combining the virtues of the δγ scheme by Beenakker and Mazur with those of the PA scheme. It leads to predictions in good agreement with the simulation data, for all considered concentrations, combining thus precision with computational efficiency. The hybrid method is used to test the accuracy of a generalized Stokes-Einstein (GSE) relation proposed by Kholodenko and Douglas, showing its severe violation in low salinity systems. For hard spheres, however, this GSE relation applies decently well.
publishDate 2011
dc.date.none.fl_str_mv 2011-10
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/11336/278553
Heinen, Marco; Banchio, Adolfo Javier; Nägele, Gerhard; Short-time rheology and diffusion in suspensions of Yukawa-type colloidal particles; American Institute of Physics; Journal of Chemical Physics; 135; 15; 10-2011; 1-14
0021-9606
CONICET Digital
CONICET
url http://hdl.handle.net/11336/278553
identifier_str_mv Heinen, Marco; Banchio, Adolfo Javier; Nägele, Gerhard; Short-time rheology and diffusion in suspensions of Yukawa-type colloidal particles; American Institute of Physics; Journal of Chemical Physics; 135; 15; 10-2011; 1-14
0021-9606
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1063/1.3646962
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 Institute of Physics
publisher.none.fl_str_mv American Institute of Physics
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 13.113929

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