English

Diffusion Enhancement in Core-softened fluid confined in nanotubes

Soft Condensed Matter 2015-06-04 v2 Statistical Mechanics

Abstract

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 NpTNpT 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 normal fluids. However, for narrow channels, the confinement shows an enhancement in the diffusion coefficient when the nanotube radius decreases. This behavior, observed for water, is explained in the framework of the two length scales potential.

Keywords

Cite

@article{arxiv.1203.3448,
  title  = {Diffusion Enhancement in Core-softened fluid confined in nanotubes},
  author = {José R. Bordin and Alan B. de Oliveira and Alexandre Diehl and Marcia C. Barbosa},
  journal= {arXiv preprint arXiv:1203.3448},
  year   = {2015}
}

Comments

17 pages, 8 figures, accept for publication at J. Chem. Phys

R2 v1 2026-06-21T20:34:40.695Z