Dependence on the thermodynamic state of self-diffusion of pseudo-hard-sphere and Lennard-Jones potentials

Autores
Marchioni, Leandro; Di Muro, Matias Alberto; Hoyuelos, Miguel Luis
Año de publicación
2023
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Self-diffusion D in a system of particles that interact with a pseudo-hard-sphere or a Lennard-Jones potential is analyzed. Coupling with a solvent is represented by a Langevin thermostat, characterized by the damping time td. The hypotheses that D=D0φ is proposed, where D0 is the small concentration diffusivity and φ is a thermodynamic function that represents the effects of interactions as concentration is increased. Molecular dynamics simulations show that different values of the noise intensity modify D0, but do not have an effect on φ. This result is consistent with the assumption that φ is a thermodynamic function since the thermodynamic state is not altered by the presence of damping and noise.
Fil: Marchioni, Leandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones Físicas de Mar del Plata. Universidad Nacional de Mar del Plata. Facultad de Ciencias Exactas y Naturales. Instituto de Investigaciones Físicas de Mar del Plata; Argentina
Fil: Di Muro, Matias Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones Físicas de Mar del Plata. Universidad Nacional de Mar del Plata. Facultad de Ciencias Exactas y Naturales. Instituto de Investigaciones Físicas de Mar del Plata; Argentina
Fil: Hoyuelos, Miguel Luis. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones Físicas de Mar del Plata. Universidad Nacional de Mar del Plata. Facultad de Ciencias Exactas y Naturales. Instituto de Investigaciones Físicas de Mar del Plata; Argentina
Materia
Brownian motion
Diffusion
Equations of state
Fluctuations and noise
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:11336/230543
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Dependence on the thermodynamic state of self-diffusion of pseudo-hard-sphere and Lennard-Jones potentialsMarchioni, LeandroDi Muro, Matias AlbertoHoyuelos, Miguel LuisBrownian motionDiffusionEquations of stateFluctuations and noisehttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1Self-diffusion D in a system of particles that interact with a pseudo-hard-sphere or a Lennard-Jones potential is analyzed. Coupling with a solvent is represented by a Langevin thermostat, characterized by the damping time td. The hypotheses that D=D0φ is proposed, where D0 is the small concentration diffusivity and φ is a thermodynamic function that represents the effects of interactions as concentration is increased. Molecular dynamics simulations show that different values of the noise intensity modify D0, but do not have an effect on φ. This result is consistent with the assumption that φ is a thermodynamic function since the thermodynamic state is not altered by the presence of damping and noise.Fil: Marchioni, Leandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones Físicas de Mar del Plata. Universidad Nacional de Mar del Plata. Facultad de Ciencias Exactas y Naturales. Instituto de Investigaciones Físicas de Mar del Plata; ArgentinaFil: Di Muro, Matias Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones Físicas de Mar del Plata. Universidad Nacional de Mar del Plata. Facultad de Ciencias Exactas y Naturales. Instituto de Investigaciones Físicas de Mar del Plata; ArgentinaFil: Hoyuelos, Miguel Luis. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones Físicas de Mar del Plata. Universidad Nacional de Mar del Plata. Facultad de Ciencias Exactas y Naturales. Instituto de Investigaciones Físicas de Mar del Plata; ArgentinaAmerican Physical Society2023-01info: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/11336/230543Marchioni, Leandro; Di Muro, Matias Alberto; Hoyuelos, Miguel Luis; Dependence on the thermodynamic state of self-diffusion of pseudo-hard-sphere and Lennard-Jones potentials; American Physical Society; Physical Review E; 107; 1; 1-2023; 1-82470-00452470-0053CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://journals.aps.org/pre/abstract/10.1103/PhysRevE.107.014134info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevE.107.014134info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-10T13:08:54Zoai:ri.conicet.gov.ar:11336/230543instacron: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:34982025-09-10 13:08:54.908CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Dependence on the thermodynamic state of self-diffusion of pseudo-hard-sphere and Lennard-Jones potentials
title Dependence on the thermodynamic state of self-diffusion of pseudo-hard-sphere and Lennard-Jones potentials
spellingShingle Dependence on the thermodynamic state of self-diffusion of pseudo-hard-sphere and Lennard-Jones potentials
Marchioni, Leandro
Brownian motion
Diffusion
Equations of state
Fluctuations and noise
title_short Dependence on the thermodynamic state of self-diffusion of pseudo-hard-sphere and Lennard-Jones potentials
title_full Dependence on the thermodynamic state of self-diffusion of pseudo-hard-sphere and Lennard-Jones potentials
title_fullStr Dependence on the thermodynamic state of self-diffusion of pseudo-hard-sphere and Lennard-Jones potentials
title_full_unstemmed Dependence on the thermodynamic state of self-diffusion of pseudo-hard-sphere and Lennard-Jones potentials
title_sort Dependence on the thermodynamic state of self-diffusion of pseudo-hard-sphere and Lennard-Jones potentials
dc.creator.none.fl_str_mv Marchioni, Leandro
Di Muro, Matias Alberto
Hoyuelos, Miguel Luis
author Marchioni, Leandro
author_facet Marchioni, Leandro
Di Muro, Matias Alberto
Hoyuelos, Miguel Luis
author_role author
author2 Di Muro, Matias Alberto
Hoyuelos, Miguel Luis
author2_role author
author
dc.subject.none.fl_str_mv Brownian motion
Diffusion
Equations of state
Fluctuations and noise
topic Brownian motion
Diffusion
Equations of state
Fluctuations and noise
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Self-diffusion D in a system of particles that interact with a pseudo-hard-sphere or a Lennard-Jones potential is analyzed. Coupling with a solvent is represented by a Langevin thermostat, characterized by the damping time td. The hypotheses that D=D0φ is proposed, where D0 is the small concentration diffusivity and φ is a thermodynamic function that represents the effects of interactions as concentration is increased. Molecular dynamics simulations show that different values of the noise intensity modify D0, but do not have an effect on φ. This result is consistent with the assumption that φ is a thermodynamic function since the thermodynamic state is not altered by the presence of damping and noise.
Fil: Marchioni, Leandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones Físicas de Mar del Plata. Universidad Nacional de Mar del Plata. Facultad de Ciencias Exactas y Naturales. Instituto de Investigaciones Físicas de Mar del Plata; Argentina
Fil: Di Muro, Matias Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones Físicas de Mar del Plata. Universidad Nacional de Mar del Plata. Facultad de Ciencias Exactas y Naturales. Instituto de Investigaciones Físicas de Mar del Plata; Argentina
Fil: Hoyuelos, Miguel Luis. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones Físicas de Mar del Plata. Universidad Nacional de Mar del Plata. Facultad de Ciencias Exactas y Naturales. Instituto de Investigaciones Físicas de Mar del Plata; Argentina
description Self-diffusion D in a system of particles that interact with a pseudo-hard-sphere or a Lennard-Jones potential is analyzed. Coupling with a solvent is represented by a Langevin thermostat, characterized by the damping time td. The hypotheses that D=D0φ is proposed, where D0 is the small concentration diffusivity and φ is a thermodynamic function that represents the effects of interactions as concentration is increased. Molecular dynamics simulations show that different values of the noise intensity modify D0, but do not have an effect on φ. This result is consistent with the assumption that φ is a thermodynamic function since the thermodynamic state is not altered by the presence of damping and noise.
publishDate 2023
dc.date.none.fl_str_mv 2023-01
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/11336/230543
Marchioni, Leandro; Di Muro, Matias Alberto; Hoyuelos, Miguel Luis; Dependence on the thermodynamic state of self-diffusion of pseudo-hard-sphere and Lennard-Jones potentials; American Physical Society; Physical Review E; 107; 1; 1-2023; 1-8
2470-0045
2470-0053
CONICET Digital
CONICET
url http://hdl.handle.net/11336/230543
identifier_str_mv Marchioni, Leandro; Di Muro, Matias Alberto; Hoyuelos, Miguel Luis; Dependence on the thermodynamic state of self-diffusion of pseudo-hard-sphere and Lennard-Jones potentials; American Physical Society; Physical Review E; 107; 1; 1-2023; 1-8
2470-0045
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/url/https://journals.aps.org/pre/abstract/10.1103/PhysRevE.107.014134
info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevE.107.014134
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 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
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 12.993085

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