Molecular dynamics simulations of amphiphilic dendrimers
James W. Evans
Mark S. Gordon
Dendrimers are a class of synthetic polymers whose principle feature is repetitive branching. In this work the general effects of branching on amphiphilic polymers are explored with molecular simulations using a Lennard-Jones interaction model. Molecular dynamics simulations are used to study the effects of terminal monomer substitution on single molecule structure and dynamics in solution as well as the surface morphology and wettability of a film composed of dendrimers. Brownian dynamics simulations on linear-dendritic block copolymers have demonstrated how dendron architecture and copolymer topology can be manipulated to control the resulting self-assembled morphology in these systems.