The behavior of benzene confined in a single wall carbon nanotube |
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| Authors: | Yury D Fomin Elena N Tsiok Valentin N Ryzhov |
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| Affiliation: | 1. Institute for High Pressure Physics Russian Academy of Sciences, Moscow, Russia;2. Moscow Institute of Physics and TechnologyState University, Chair of Physics of Condensed Matter in Extreme Conditions |
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| Abstract: | We present the molecular dynamics study of benzene molecules confined into the single wall carbon nanotube. The local structure and orientational ordering of benzene molecules are investigated. It is found that the molecules mostly group in the middle distance from the axis of the tube to the wall. The molecules located in the vicinity of the wall demonstrate some deviation from planar shape. There is a tilted orientational ordering of the molecules which depends on the location of the molecule. It is shown that the diffusion coefficient of the benzene molecules is very small at the conditions we report here. © 2015 Wiley Periodicals, Inc. |
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| Keywords: | Benzene carbon nanotubes orientational order structure |
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