Diffusion of finite-size particles in channels with random walls
arXiv:1312.2020 · doi:10.1039/C3CP55160A
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-sized particles through asymmetrical two-dimensional channels. Additionally, we examine transient binding of the molecules to the channel walls by applying sticky boundary conditions. With the application of diffusing pathogens in hydrogels in mind, 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].
10 pages, 12 figures, RevTeX
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- Transport coefficients for a confined Brownian ratchet operating between two heat reservoirs
- Diffusion of interacting particles in a channel with reflection boundary conditions
- First-passage times in conical varying-width channels biased by a transverse gravitational force: Comparison of analytical and numerical results