A Molecular Dynamics Simulation on the Self-assembly of ABC Triblok 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 ]norphology 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 $A_{32}$$B_{16}$$C_{32}$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 $B_{16}$$C_{32}$ $A_{32}$ and $C_{32}$ $A_{32}$ $B_{16}$ show a cylindrical core-shell structure and a lamellar type morphology, respectively. The $A_{20}$$B_{40}$$C_{20}$the triblock copolymer with the block B as a major component shows a tricontinuous structure, whereas both $B_{40}$$C_{20}$$A_{20}$ and $C_{20}$$A_{20}$$B_{40}$ triblock coolymers exhibit the lamellar structures. When the block B has larger volrome fraction with $f_B$=0.75, the matrix is composed of block B, and other two blocks A and C form spherical domains.