Self-assembled morphologies of ABA triblock copolymer brushes in selective solvents

A simulated annealing method is used to investigate the self-assembled morphologies of symmetric ABA triblock copolymer brushes, formed by one end of the A-blocks tethered onto a planar surface, immersed in a solvent selective for the middle B-blocks. The morphological dependences of the brushes on polymer grafting density and block lengths are investigated systematically. Phase diagrams for systems with different grafting densities are constructed. The simulation results show that the grafted amphiphilic triblock copolymers can self-assemble to form a variety of complicated morphologies which can be classified in terms of the number of A-rich layers in the morphology. In particular, the formation of the structures with one A-rich layer or called "folded" brush structures is consistent with the speculation from the experimental studies of ABA triblock copolymer brushes. More detailed structures depend on the grafting density and the lengths of the blocks. Furthermore, at a high grafting density, the effects of the lengths of blocks and the interaction energies between different species in the system on the conformation of chains are investigated to illustrate the formation mechanisms of self-assembled morphologies of the amphiphilic triblock copolymer brushes.