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JOURNALS // Vestnik Tomskogo Gosudarstvennogo Universiteta. Matematika i Mekhanika // Archive

Vestn. Tomsk. Gos. Univ. Mat. Mekh., 2014 Number 5(31), Pages 69–75 (Mi vtgu417)

This article is cited in 3 papers

MECHANICS

Permeability of the tunnel of spherical nanoparticles

A. M. Bubenchikova, M. A. Bubenchikovb, A. I. Potekaevc, O. V. Usenkoa, A. A. Sherstobitova

a Tomsk State University, Tomsk, Russian Federation
b "Gazprom Transgaz Tomsk", Tomsk, Russian Federation
c Siberian Physical-Technical Institute, Tomsk, Russian Federation

Abstract: In this paper, we investigate the ability of test molecules to overcome the energy barrier existing in the gap between two rows of spherical nanoparticles. A tunnel of particles is the simplest structural element of a composite porous material. The ability of molecules to associate with nanoparticles and then move to a more powerful field of repulsive forces determines filtration properties of porous materials. We consider carbon nanoparticles and bombarding molecules of helium, hydrogen, and methane.

Keywords: molecular dynamics, Newton's approach, nanoparticles, particle tunnel, Lennard–Jones potential, nanoparticle-molecule potential, permeability.

UDC: 531.351

Received: 29.05.2014



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