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Reorienatational dynamics of cholesterol molecules in thin film surrounded carbon nanotube: Molecular dynamics simulations

✍ Scribed by P. Raczyński; A. Dawid; A. Piętek; Z. Gburski

Publisher: Elsevier Science
Year: 2006
Tongue: English
Weight: 360 KB
Volume: 792-793
Category: Article
ISSN: 0022-2860
DOI: 10.1016/j.molstruc.2006.01.064

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✦ Synopsis

We have made simulations of the system composed of single walled carbon nanotube (SWNT) surrounded by nZ9, 13, 17 cholesterol (C 27 H 46 O) molecules. The mean square displacement, radial distribution function, diffusion coefficient, rotational and translational velocity correlations functions have been calculated for several temperatures. The qualitative interpretation of dynamics of cholesterol molecule in such specific environment is presented.

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