Adsorption of polyethylene, polypropylene, polyvinyl chloride monomer units on the single-walled carbon nanotube surface

I V Zaporotskova, А А Krutoyarov, N P Polikarpova

COMPUTER MODELLING & NEW TECHNOLOGIES 2015 19(1A) 19-22

Volgograd State University, Volgograd 400062, Universitetskii prospect, 100

The paper presents the results of research into the interaction mechanism between single-walled carbon nanotubes and most common polymers that results in the formation of stable polymer based nanotube reinforced composites. Nanotubes used as reinforcement provide strong as well as plastic polymer based nanocomposites that have a promising field of commercial application. The main characteristics of the interaction process between the nanotube (6, 6) and monomers of the polymers under study are defined. Calculations are performed by applying DFT method and B3LYP functional.