Polypyrrole Induced By Carbon Nanotube To Form Mutiple-Strand Helix

Abstract In this manuscript, a molecular dynamics simulation is used to study the formation of multiple-strand helix through polypyrrole induced by carbon nanotube. The results exhibit that the multiple polypyrrole chains arranged in parallel can self-assemble to helix. The formation machenisum is also illustrated in detail. The formation process may experience two stages which are insertion and torsion. Both the van der Waals potential well and the π–π stacking interaction among the multiple polypyrrole and carbon nanotube play a major role in the self-assemble process. Furthermore, a lot of factors such as the chain number of polypyrrole, the length of polymer and the simulation temperature influence the final configuration of composite. This theory research can provide valuable theoretical support for design and manufacture hybrid structures in the fields of advanced composite materials and functional devices.