Lattice self-consistent field calculations of confined symmetric block copolymers of various chain architectures

Zhang, JX (Zhang, Jingxue)^{[ 1,2 ]} ; Wu, JP (Wu, Jiaping)^{[ 1,2 ]} ; Jiang, R (Jiang, Run)^{[ 1,2 ]} ; Wang, Z (Wang, Zheng)^{[ 1,2 ]} ; Yin, YH (Yin, Yuhua)^{[ 1,2 ]} ; Li, BH (Li, Baohui)^{[ 1,2 ]} ; Wang, Q (Wang, Qiang)^{[ 3 ]}

SOFT MATTER, 2020, 16(17): 4311-4323

DOI: 10.1039/d0sm00293c

摘要

The effects of chain architecture and confinement on the structure and orientation of lamellae formed by incompressible and symmetric AB-type block copolymer melts confined between two parallel and identical surfaces are investigated using self-consistent field calculations on a simple cubic lattice. Five systems of various chain architectures (linear, ring, and star) and lengths are studied, with their bulk lamellar period L-0 chosen such that they have comparable L-0/R-g, where R-g denotes the ideal-chain radius of gyration. For thin films of thickness D = L-0 confined between two neutral surfaces, we define the rescaled volume fraction profiles of A, B, chain end, and joint segments in the parallel and perpendicular lamellae such that these profiles can be directly compared among the five systems to quantitatively reveal the interplay between the chain-end enrichment near confining surfaces and the surface-induced A-B compatibilization, and how such interplay is affected by the chain architectures (for example, the chain-crowding effects in the star block copolymers). The effects of D and surface preference for one of the blocks are also investigated.

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