Diffusion Enhancement in Core-softened fluid confined in nanotubes

Details Diffusion Enhancement in Core-softened fluid confined in nanotubes Diffusion Enhancement in Core-softened fluid confined in nanotubes

2012-03-15

arxiv.org/abs/1203.3448v1

Physics

Condensed Matter

Soft Condensed Matter

16 pages, 8 figures

Scientific paper

We study the effect of confinement in the dynamical behavior of a core-softened fluid. The fluid is modeled as a two length scales potential. This potential in the bulk reproduces the anomalous behavior observed in the density and in the diffusion of liquid water. A series of NpT Molecular Dynamics simulations for this two length scales fluid confined in a nanotube were performed. We obtain that the diffusion coefficient increases with the increase of the nanotube radius for wide channels as expected for nomal fluids. However, for narrow channels, the confinement shows an enhancement in the diffusion coefficient when the nanotube radius decreases. This behavior, not observed for other fluids, is explained in the framework of the two length scales potential.

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