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Diffusion enhancement in core-softened fluid confined in nanotubes
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10.1063/1.4746748
/content/aip/journal/jcp/137/8/10.1063/1.4746748
http://aip.metastore.ingenta.com/content/aip/journal/jcp/137/8/10.1063/1.4746748
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Interaction potential between water-like particles.

Image of FIG. 2.
FIG. 2.

Schematic depiction of the simulation box with the nanotube, reservoirs, and fluctuating walls. The cylindrical channel in the center has a radius a and length L c . The reservoirs have height L.

Image of FIG. 3.
FIG. 3.

Axial mean square displacement versus time for channel radius a * = 1.25, 1.5, 2.0, 5.0, and 10.0.

Image of FIG. 4.
FIG. 4.

Diffusion coefficient inside nanotube, D x, NT, in units of non-confined diffusion, D x, bulk, for different nanotube radius. The error bars are smaller than the data point. The dotted line is a guide to the eye.

Image of FIG. 5.
FIG. 5.

Radial density profile for different values of radius: (a) a * = 1.25, (b) a * = 1.5 (c) a * = 2.0, (d) a * = 4.0, (e) a * = 7.0, and (f) a * = 10.0.

Image of FIG. 6.
FIG. 6.

Snapshots of the system for (a) a * = 2.0 and (b) a * = 1.5.

Image of FIG. 7.
FIG. 7.

Total density inside the nanotube as function of the tube radius for T * = 0.25 and p * = 0.7. The error bars are smaller than the data point. The line is a guide to the eye.

Image of FIG. 8.
FIG. 8.

Axial density profile for a nanotube with radius (a) a * = 1.5, (b) a * = 2.0, and (c) a * = 7.0.

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/content/aip/journal/jcp/137/8/10.1063/1.4746748
2012-08-23
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Diffusion enhancement in core-softened fluid confined in nanotubes
http://aip.metastore.ingenta.com/content/aip/journal/jcp/137/8/10.1063/1.4746748
10.1063/1.4746748
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