Application of Dynamic Density Functional Theory for the Simulation of Mesoscopic Structure of Block Copolymer

The dynamic mean-field density functional theory (DDFT) is used to study the three-dimensional mesoscopic structure of diblock and triblock copolymer melts after microphase separation. 11 types of diblock copolymers and 10 types of triblock copolymers with the chain length N=12 are considered. The three-dimensional mesoscopic structure is obviously described by density isosurface. According to the evolutions of order parameter p、free energy F and entropy S, it is concluded that the microphase separation of diblock copolymer is easier than that of triblock copolymer at same conditions, and the more asymmetric the molecular structure is, the easier the microphase separation of triblock copolymer is.