Formation of polynylon12/carbon nanotubes composites through self-coiling process: a molecular dynamic simulation

Nylon12, a kind of polyamide with long carbon chain, who has low density, low melting point, good thermal stability, and high decomposition temperature, is widely used in various fields, such as automobile system pipeline, chemical petroleum pipeline, and hydraulic transmission system. In the present work, the nylon12 self-coiling into the single-walled carbon nanotubes was studied by the molecular dynamics simulations. The results display that the nylon12 can coil into the inside of carbon nanotubes spontaneously and form a helical structure finally. Furthermore, the morphology of nylon12 self-coiling into the inside of single-walled carbon nanotubes was investigated by mean square displacement, the radius of gyration, radial distribution function, and so on. Moreover, the influence factors such as the number of polymer chain, the layer-number of nanotube were also discussed in detail. These results will help to better understand the interaction between nylon and CNT and also guide the fabrication of high performance polymer/CNT nanocomposites.