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Diffusion of finite-size particles in two-dimensional channels with random wall configurations

  • Diffusion of chemicals or tracer molecules through complex systems containing irregularly shaped channels is important in many applications. Most theoretical studies based on the famed Fick–Jacobs equation focus on the idealised case of infinitely small particles and reflecting boundaries. In this study we use numerical simulations to consider the transport of finite-size particles through asymmetrical two-dimensional channels. Additionally, we examine transient binding of the molecules to the channel walls by applying sticky boundary conditions. We consider an ensemble of particles diffusing in independent channels, which are characterised by common structural parameters. We compare our results for the long-time effective diffusion coefficient with a recent theoretical formula obtained by Dagdug and Pineda [J. Chem. Phys., 2012, 137, 024107].

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Metadaten
Author details:Maximilian Bauer, Aljaž Godec, Ralf MetzlerORCiDGND
URN:urn:nbn:de:kobv:517-opus4-76199
Publication series (Volume number):Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe (paper 177)
Publication type:Postprint
Language:English
Publication year:2014
Publishing institution:Universität Potsdam
Release date:2015/04/28
Tag:anomalous diffusion; coefficient; fractional dynamics; nonergodicity; transport
Organizational units:Mathematisch-Naturwissenschaftliche Fakultät / Institut für Physik und Astronomie
DDC classification:5 Naturwissenschaften und Mathematik / 53 Physik / 530 Physik
Peer review:Referiert
Publishing method:Open Access
License (English):License LogoCreative Commons - Namensnennung 3.0 Unported
External remark:Bibliographieeintrag der Originalveröffentlichung/Quelle
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