The directed self-assembly of amphiphilic diblock copolymers in selective solvents

The directed self-assembly of diblock copolymers in solvents is studied systematically using a simulated annealing method. Effects of the shape, scale, and adsorption capacity of the induced surface on the morphology of the aggregates are examined. A variety of morphologies are predicted. By increasing the scale of induced surface, the micellar shape transforms from cylinder to sheet with a tail and finally to thin sheet without tail. The shape of induced surface determines the sheet’s shape, such as rounded and square. Configurations of hydrophobic blocks and interfacial energies are investigated by calculating the mean square end-to-end distances and the contact numbers between hydrophobic monomer and other species, respectively.