2007. - V. 21. - N 3(71). - P. 40-44
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Results of molecular dynamics simulation of liquid acetonitrile (AN) confined by carbon nanotubes (CNT) with diameters between 1.1 nm and 3.5 nm are reported. Local atomic density heterogeneity along the radial direction inside of CNT was found. It is shown that translational self-diffusion coefficients of AN molecules are greatly influenced by the CNT diameter.
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