Deposition of Carbon Nanotube Films on Polyamide and Polypropylene Substrates: A Computer Simulation Approach

Abstract

In this work we study hydroxylated carbon nanotube (CNT) assembly on polyamide (PA) and polypropylene (PP) polymers activated by UV radiation from a theoretical and experimental perspective. Molecular computer simulation was done to understand the stable conformations and bulk properties (molecular dynamics) of the polymers before and after exposure to UV radiation at the molecular level. Our experiments suggest that PA presents more -OH active groups, producing a more hydrophilic surface, whereas PP exhibits less potential UV activation. These results suggest that it is possible a facile covalent functionalization method to tune organic polymer surface properties through SWCNT anchoring for nanotechnological applications requiring defined surface roughness and chemical functionality on inexpensive polymers.