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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EDP Sciences
2016-01-01
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Series: | EPJ Web of Conferences |
Online Access: | http://dx.doi.org/10.1051/epjconf/201611001061 |
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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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