Diffusion enhancement in core-softened fluid confined in nanotubes
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...
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| Veröffentlicht in: | The Journal of chemical physics 2012-08, Vol.137 (8), p.084504-084504 |
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| container_issue | 8 |
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| container_title | The Journal of chemical physics |
| container_volume | 137 |
| creator | Bordin, J R de Oliveira, A B Diehl, A Barbosa, Marcia C |
| description | 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. |
| doi_str_mv | 10.1063/1.4746748 |
| format | Article |
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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. 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| ispartof | The Journal of chemical physics, 2012-08, Vol.137 (8), p.084504-084504 |
| issn | 0021-9606 1089-7690 |
| language | eng |
| recordid | cdi_proquest_miscellaneous_1323211873 |
| source | AIP Journals Complete; AIP Digital Archive; Alma/SFX Local Collection |
| subjects | Channels Computational fluid dynamics Confinement Diffusion Diffusion coefficient Fluid flow Fluids Nanotubes |
| title | Diffusion enhancement in core-softened fluid confined in nanotubes |
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