The Computer Simulation For The Phase Separation Of The Block Copolymer Blends

In this dissertation, we systemically introduced the derivation of the self-consistent field theory (SCFT) equations of the block copolymer blend in the canonical ensemble. Through solving the SCFT equations, we systemically studied the phase behavior of the blends of linear triblock copolymer and diblock copolymer by using the combinatorial screening method in the real space.The main results are as follows:1. The phase behavior of the blend of linear ABC triblock copolymer and ab diblock copolymer was studied by using the SCFT. The simulative results show that the non-lamellar structure, such as core-shell hexagonal lattice phase and tetragonal lattice phase, were formed by only varying the content of the triblock copolymer in the blend. We hope our simulation would be helpful for designing rich material structures.2. We got the non-centrosymmetric lamellar phase in the blends of ABC triblock copolymer and ac diblock copolymer in a limited region of the phase diagram. We found that the increase of the polymerization of block B and the decrease of the interaction of component A and C are benefit for this non-centrosymmetric lamellar structure which has potential application in the preparation of nanometer materials.