https://doi.org/10.1051/epjconf/201611001061
The Interaction Potential of an Open Nanotube and its Permeability: Molecular Dynamics Simulation
National Research Tomsk State University, 634050, 36 Lenin av., Tomsk, Russia
a Corresponding author: usenko.olesya@yandex.ru
Published online: 23 February 2016
The integration of the modified LJ-potential allowed revealing the universal effect of the open carbon tube on the molecular objects moving within or proximate to the tube. There has been established that there are modes of the molecule motion without the energy exchange with the atoms of the carbon framing, under which the moving molecules are subjected to the considerable activation in the tube. The potential holes being the sorption zones in fact are localized.
© Owned by the authors, published by EDP Sciences, 2016
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