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Issue 13, 2014
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Diffusion of finite-size particles in two-dimensional channels with random wall configurations

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Abstract

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].

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

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Publication details

The article was received on 06 Dec 2013, accepted on 05 Feb 2014 and first published on 06 Feb 2014


Article type: Paper
DOI: 10.1039/C3CP55160A
Citation: Phys. Chem. Chem. Phys., 2014,16, 6118-6128
  • Open access: Creative Commons BY license
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    Diffusion of finite-size particles in two-dimensional channels with random wall configurations

    M. Bauer, A. Godec and R. Metzler, Phys. Chem. Chem. Phys., 2014, 16, 6118
    DOI: 10.1039/C3CP55160A

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