Modeling diffusion of elongated particles through a narrowing channel

2025
journal article
article
dc.abstract.enSimulations of the Brownian dynamics of diffusing particles in complex environments provide important information about the characteristics of the medium and the properties of biological processes. Notable examples include the diffusion of ions and macromolecular solutes through channels of varying cross-section, such as pores in biological membranes, living tissues, zeolites, carbon nanotubes, and synthetic porous materials. In these systems, the observed diffusion can exhibit anomalous behavior characterized by a nonlinear increase in the mean squared displacement. In this article, we present a toy model of the diffusion of rod-shaped particles through a narrowing, conical pore with a trapezoidal longitudinal cross-section. Particles of different sizes undergo a random walk due to interactions with the environment (modeled as noise). We study how the diffusion properties change with particle size as a function of pore width. The numerical analysis of diffusion-driven transport through narrowing conical channels reveals its effective subdiffusive, i.e., anomalous, character.
dc.affiliationWydział Fizyki, Astronomii i Informatyki Stosowanej : Instytut Fizyki Teoretycznej
dc.contributor.authorStrzelewicz, Anna
dc.contributor.authorCieśla, Michał - 101020
dc.contributor.authorDybiec, Bartłomiej - 102110
dc.contributor.authorKrasowska, Monika
dc.date.accessioned2025-03-18T08:46:19Z
dc.date.available2025-03-18T08:46:19Z
dc.date.createdat2025-03-14T17:03:41Zen
dc.date.issued2025
dc.date.openaccess0
dc.description.accesstimew momencie opublikowania
dc.description.number3
dc.description.sponsorshipidubidub_yes
dc.description.versionostateczna wersja wydawcy
dc.description.volume27
dc.identifier.articleid293
dc.identifier.doi10.3390/e27030293
dc.identifier.issn1099-4300
dc.identifier.urihttps://ruj.uj.edu.pl/handle/item/550325
dc.languageeng
dc.language.containereng
dc.rightsUdzielam licencji. Uznanie autorstwa 4.0 Międzynarodowa
dc.rights.licenceCC-BY
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/legalcode.pl
dc.share.typeotwarte czasopismo
dc.subject.entapered channel
dc.subject.ennarrowing pore
dc.subject.enelongated particle
dc.subject.ennumerical modeling
dc.subject.enmean squared displacement
dc.subject.eneffective subdiffusion
dc.subject.enentropic forces
dc.subtypeArticle
dc.titleModeling diffusion of elongated particles through a narrowing channel
dc.title.journalEntropy
dc.typeJournalArticle
dspace.entity.typePublicationen
dc.abstract.en
Simulations of the Brownian dynamics of diffusing particles in complex environments provide important information about the characteristics of the medium and the properties of biological processes. Notable examples include the diffusion of ions and macromolecular solutes through channels of varying cross-section, such as pores in biological membranes, living tissues, zeolites, carbon nanotubes, and synthetic porous materials. In these systems, the observed diffusion can exhibit anomalous behavior characterized by a nonlinear increase in the mean squared displacement. In this article, we present a toy model of the diffusion of rod-shaped particles through a narrowing, conical pore with a trapezoidal longitudinal cross-section. Particles of different sizes undergo a random walk due to interactions with the environment (modeled as noise). We study how the diffusion properties change with particle size as a function of pore width. The numerical analysis of diffusion-driven transport through narrowing conical channels reveals its effective subdiffusive, i.e., anomalous, character.
dc.affiliation
Wydział Fizyki, Astronomii i Informatyki Stosowanej : Instytut Fizyki Teoretycznej
dc.contributor.author
Strzelewicz, Anna
dc.contributor.author
Cieśla, Michał - 101020
dc.contributor.author
Dybiec, Bartłomiej - 102110
dc.contributor.author
Krasowska, Monika
dc.date.accessioned
2025-03-18T08:46:19Z
dc.date.available
2025-03-18T08:46:19Z
dc.date.createdaten
2025-03-14T17:03:41Z
dc.date.issued
2025
dc.date.openaccess
0
dc.description.accesstime
w momencie opublikowania
dc.description.number
3
dc.description.sponsorshipidub
idub_yes
dc.description.version
ostateczna wersja wydawcy
dc.description.volume
27
dc.identifier.articleid
293
dc.identifier.doi
10.3390/e27030293
dc.identifier.issn
1099-4300
dc.identifier.uri
https://ruj.uj.edu.pl/handle/item/550325
dc.language
eng
dc.language.container
eng
dc.rights
Udzielam licencji. Uznanie autorstwa 4.0 Międzynarodowa
dc.rights.licence
CC-BY
dc.rights.uri
http://creativecommons.org/licenses/by/4.0/legalcode.pl
dc.share.type
otwarte czasopismo
dc.subject.en
tapered channel
dc.subject.en
narrowing pore
dc.subject.en
elongated particle
dc.subject.en
numerical modeling
dc.subject.en
mean squared displacement
dc.subject.en
effective subdiffusion
dc.subject.en
entropic forces
dc.subtype
Article
dc.title
Modeling diffusion of elongated particles through a narrowing channel
dc.title.journal
Entropy
dc.type
JournalArticle
dspace.entity.typeen
Publication
Affiliations

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