A molecular dynamics simulation on the self-assembly of ABC triblock copolymers. 2. Effects of block sequence.

The effect of block sequence on the self-assembly of ABC-type triblock copolymers in the ordered state is investigated using an isothermal-isobaric molecular dynamics simulation. The block sequence has an important effect on the morphology of ABC triblock copolymers. Different morphologies are observed depending on the block sequence as well as the block composition. The triblock copolymers with the volume fraction of 1:1:1 ( f _A= f _B= f _C=0.33) show the three phase and four layered lamellar structures irrespective of the block sequence. The A₃₂B₁₆C₃₂ triblock copolymer with f _B=0.2 shows a morphology in which cylinders of midblock B are formed at the interface between A and C lamellae, whereas the morphology of triblock copolymer B₁₆C₃₂A₃₂ and C₃₂A₃₂B₁₆ show a cylindrical core-shell structure and a lamellar type morphology, respectively. The A₂₀B₄₀C₂₀ triblock copolymer with the block B as a major component shows a tricontinuous structure, whereas both B₄₀C₂₀A₂₀ and C₂₀A₂₀B₄₀ triblock copolymers exhibit the lamellar structures. When the block B has larger volume fraction with f _B=0.75, the matrix is composed of block B, and other two blocks A and C form spherical domains. [ABSTRACT FROM AUTHOR]