Literature DB >> 22938247

Diffusion enhancement in core-softened fluid confined in nanotubes.

J R Bordin1, A B de Oliveira, A Diehl, Marcia C Barbosa.   

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.

Entities:  

Year:  2012        PMID: 22938247     DOI: 10.1063/1.4746748

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  2 in total

1.  Phase behaviour of a continuous shouldered well model fluid. A grand canonical Monte Carlo study.

Authors:  Miha Lukšič; Barbara Hribar-Lee; Orest Pizio
Journal:  J Mol Liq       Date:  2016-10-08       Impact factor: 6.165

2.  Nanoconfined Fluids: Uniqueness of Water Compared to Other Liquids.

Authors:  Fabio Leoni; Carles Calero; Giancarlo Franzese
Journal:  ACS Nano       Date:  2021-11-22       Impact factor: 15.881

  2 in total

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