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Molecular dynamics of cholesterol in thin film surrounded carbon nanotube

Przemysław Raczyński 1Aleksander Dawid Mariusz Sokół Zygmunt Gburski 

1. University of Silesia, Katowice, Poland


We have performed molecular dynamics (MD) simulations of the system composed of a single walled carbon nanotube (SWNT) surrounded by thin film of: a) cholesterol plus water and, b) cholesterol. The translational and rotational correlation functions and their Fourier transforms for both cholesterol and water molecules have been calculated for several temperatures and concentrations. The interpretation of translational and rotational dynamics of both cholesterol and water molecules in such specific environment is presented.


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Presentation: poster at E-MRS Fall Meeting 2004, Symposium H, by Przemysław Raczyński
See On-line Journal of E-MRS Fall Meeting 2004

Submitted: 2004-04-27 17:35
Revised:   2009-06-08 12:55