The Interaction Potential of an Open Nanotube and its Permeability: Molecular Dynamics Simulation

Autor: Bubenchikov Mikhail A, Potekaev Alexander I, Bubenchikov Alexey M, Usenko Olesya V, Malozemov Alexander V, Tarasov Egor A
Jazyk: angličtina
Rok vydání: 2016
Předmět:
Zdroj: EPJ Web of Conferences, Vol 110, p 01061 (2016)
Druh dokumentu: article
ISSN: 2100-014X
DOI: 10.1051/epjconf/201611001061
Popis: 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.
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