Dissipative particle dynamics simulation of microphase separation behaviors in graft-diblock copolymer films

Dependence of the microphase separation behaviors of graft-diblock copolymers (Ax)g(By) in thin films on composition fraction, thickness of film and A–B repulsing strength is investigated preliminarily by dissipative particle dynamics. Several kinds of ordered mesostructures have been observed and the simulated phase diagrams show evident asymmetries, besides, the center of lamellas region shifts away from fA = 0.5. Some of the mesostructures in the film can correspond to those in bulk. Decreasing the thickness of film as well as strengthening the A–B repulsion help the mesostructures enhance the degree of order.