TCB Publications - Abstract

Fangqiang Zhu, Emad Tajkhorshid, and Klaus Schulten. Collective diffusion model for water permeation through microscopic channels. Physical Review Letters, 93:224501, 2004. (4 pages).

ZHU2004A Water permeation through nanometric channels, generally a coupled many-body process, is described in this study by a single collective coordinate. A collective diffusion model is proposed in which water movement at equilibrium is characterized as an unbiased diffusion along this coordinate and water transport in the presence of a chemical potential difference is described as one-dimensional diffusion in a linear potential. The model allows one to determine the osmotic permeability of a water channel from equilibrium simulations.

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