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

Bauer, M., Godec, A., & Metzler, R. (2014). Diffusion of finite-size particles in two-dimensional channels with random wall configurations. Physical Chemistry Chemical Physics, 16(13), 6118-6128. doi:10.1039/c3cp55160a.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-002D-CC93-0 Version Permalink: http://hdl.handle.net/11858/00-001M-0000-002D-CC96-A
Genre: Journal Article

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Bauer, M., Author
Godec, A.1, Author              
Metzler, R., Author
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1Research Group of Mathematical Biophysics, MPI for Biophysical Chemistry, Max Planck Society, ou_2396692              

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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

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Language(s): eng - English
 Dates: 2014
 Publication Status: Published online
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 Rev. Method: Peer
 Identifiers: DOI: 10.1039/c3cp55160a
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Title: Physical Chemistry Chemical Physics
Source Genre: Journal
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Pages: - Volume / Issue: 16 (13) Sequence Number: - Start / End Page: 6118 - 6128 Identifier: -