Geodesic
On the selective properties of nanoscale bifurcation
Vestnik Tomskogo gosudarstvennogo universiteta. Matematika i mehanika, no. 51 (2018), pp. 104-116

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The motion of molecules and atoms in the space filled with spherical carbon nanoparticles is studied in the framework of Newtonian dynamics. The analytical distribution for a centrally symmetric potential of the molecule–nanoparticle interaction is essentially used in the numerical solution of the problem. Consideration of the process is based on the analysis of selective properties of the material composed of the particles with respect to separation of methane–helium mixtures. The features of the passage of molecules (atoms) through a nanoscale bifurcation are considered. Calculated results show that the mass of carbon structure atoms accumulating in the immediate vicinity of branching makes the system impassable for methane molecules. At the same time, for helium atoms, the bifurcation remains permeable. A certain ratio of the pore size to the particle size provides separating properties of the material composed of compacted carbon nanoparticles.
Mots-clés : nanoparticles, bifurcation
Keywords: Lennard–Jones potential, molecular dynamics, selectivity, methane, helium. 
@article{VTGU_2018_51_a8,
     author = {M. A. Bubenchikov and A. V. Ukolov and R. Yu. Ukolov and S. Jambaa},
     title = {On the selective properties of nanoscale bifurcation},
     journal = {Vestnik Tomskogo gosudarstvennogo universiteta. Matematika i mehanika},
     pages = {104--116},
     publisher = {mathdoc},
     number = {51},
     year = {2018},
     language = {ru},
     url = {http://geodesic.mathdoc.fr/item/VTGU_2018_51_a8/}
}
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M. A. Bubenchikov; A. V. Ukolov; R. Yu. Ukolov; S. Jambaa. On the selective properties of nanoscale bifurcation. Vestnik Tomskogo gosudarstvennogo universiteta. Matematika i mehanika, no. 51 (2018), pp. 104-116. http://geodesic.mathdoc.fr/item/VTGU_2018_51_a8/