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Title: Diffusion enhancement in core-softened fluid confined in nanotubes.
Authors: Bordin, José Rafael
Oliveira, Alan Barros de
Diehl, Alexandre
Barbosa, Márcia Cristina Bernardes
Issue Date: 2012
Citation: BORDIN, J. R. et al. Diffusion enhancement in core-softened fluid confined in nanotubes. The Journal of Chemical Physics, v. 137, n. 8, p. 084504, 2012. Disponível em: <>. Acesso em: 28 set. 2012.
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 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 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.
ISSN: 10897690
metadata.dc.rights.license: O periódico The Journal of Chemical Physics concede permissão para depósito do artigo no Repositório Institucional da UFOP. Número da licença: 3343140133177.
Appears in Collections:DEFIS - Artigos publicados em periódicos

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