Wrapping Nanotubes with Micelles, Hemimicelles, and Cylindrical Micelles

Abstract

This work uses a simple model based on hydrophobic and hydrophilic forces to investigate the molecular dynamics that lead to the supramolecular self-assembly of surfactants around carbon nanotubes (CNTs). The effects of the concentration and the structure of surfactants are explored. The bead-based mesoscopic description spontaneously develops the several micellar morphologies that are known to wrap and solvate CNTs.