A molecular dynamics simulation on the self-assembly of ABC triblock copolymers. 2. Effects of block sequence |
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Authors: | Min Jae Ko Seung Hyun Kim Won Ho Jo |
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Institution: | (1) Hyperstructured Organic Materials Research Center and School of Materials Science and Engineering, Seoul National University, 151-742 Seoul, Korea |
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Abstract: | 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 withf
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 withf
B=0.75, the matrix is composed of block B, and other two blocks A and C form spherical domains. |
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Keywords: | Molecular dynamics Self-assembly ABC triblock copolymer Block sequence |
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