On the description of Brownian particles in confinement on a non-Cartesian coordinates basis.

J Chem Phys

Applied Mathematics and Systems Department, Universidad Autónoma Metropolitana-Cuajimalpa, Vasco de Quiroga 4871, México D. F. 05348, Mexico.

Published: August 2016

We developed a theoretical framework to study the diffusion of Brownian point-like particles in bounded geometries in two and three dimensions. We use the Frenet-Serret moving frame as the coordinate system. For narrow tubes and channels, we use an effective one-dimensional description reducing the diffusion equation to a Fick-Jacobs-like equation. From this last equation, we can calculate the effective diffusion coefficient applying Neumann boundary conditions. On one hand, for channels with a straight axis our theoretical approximation for the effective coefficient does coincide with the reported in the literature [D. Reguera and J. M. Rubí, Phys. Rev. E 64, 061106 (2001) and P. Kalinay and J. K. Percus, ibid. 74, 041203 (2006)]. On the other hand, for tubes with a straight axis and circular cross-section our analytical expression does not coincide with the reported by Rubí and Reguera and by Kalinay and Percus, although it is practically identical.

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http://dx.doi.org/10.1063/1.4960652DOI Listing

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