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

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

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...

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Main Authors: Bubenchikov Mikhail A, Potekaev Alexander I, Bubenchikov Alexey M, Usenko Olesya V, Malozemov Alexander V, Tarasov Egor A
Format: Article
Language:English
Published: EDP Sciences 2016-01-01
Series:EPJ Web of Conferences
Online Access:http://dx.doi.org/10.1051/epjconf/201611001061
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spelling doaj-c8632a575fc64c208312e508b4b7766a2021-08-02T17:25:05ZengEDP SciencesEPJ Web of Conferences2100-014X2016-01-011100106110.1051/epjconf/201611001061epjconf_toet2016_01061The Interaction Potential of an Open Nanotube and its Permeability: Molecular Dynamics SimulationBubenchikov Mikhail A0Potekaev Alexander I1Bubenchikov Alexey M2Usenko Olesya V3Malozemov Alexander V4Tarasov Egor A5National Research Tomsk State UniversityNational Research Tomsk State UniversityNational Research Tomsk State UniversityNational Research Tomsk State UniversityNational Research Tomsk State UniversityNational Research Tomsk State UniversityThe 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.http://dx.doi.org/10.1051/epjconf/201611001061
collection DOAJ
language English
format Article
sources DOAJ
author Bubenchikov Mikhail A
Potekaev Alexander I
Bubenchikov Alexey M
Usenko Olesya V
Malozemov Alexander V
Tarasov Egor A
spellingShingle Bubenchikov Mikhail A
Potekaev Alexander I
Bubenchikov Alexey M
Usenko Olesya V
Malozemov Alexander V
Tarasov Egor A
The Interaction Potential of an Open Nanotube and its Permeability: Molecular Dynamics Simulation
EPJ Web of Conferences
author_facet Bubenchikov Mikhail A
Potekaev Alexander I
Bubenchikov Alexey M
Usenko Olesya V
Malozemov Alexander V
Tarasov Egor A
author_sort Bubenchikov Mikhail A
title The Interaction Potential of an Open Nanotube and its Permeability: Molecular Dynamics Simulation
title_short The Interaction Potential of an Open Nanotube and its Permeability: Molecular Dynamics Simulation
title_full The Interaction Potential of an Open Nanotube and its Permeability: Molecular Dynamics Simulation
title_fullStr The Interaction Potential of an Open Nanotube and its Permeability: Molecular Dynamics Simulation
title_full_unstemmed The Interaction Potential of an Open Nanotube and its Permeability: Molecular Dynamics Simulation
title_sort interaction potential of an open nanotube and its permeability: molecular dynamics simulation
publisher EDP Sciences
series EPJ Web of Conferences
issn 2100-014X
publishDate 2016-01-01
description 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.
url http://dx.doi.org/10.1051/epjconf/201611001061
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