Monte Carlo Simulation of Effects of Homopolymer Chain Length on Interfacial Properties of A/AB/B Ternary Polymer Blends†

doi:10.7503/cjcu20150297

Abstract

Abstract:

We employed Monte Carlo simulation to investigate the effects of chain length of the homopolymer on the interfacial properties between two immiscible homopolymers. When the chain length of diblock copolymer is fixed at N_C=20, as the chain length(N_H) of homopolymer increases from 10 to 60, the interface thickness increases significantly. The orientation parameter q of the diblock copolymer chain decreases with the increase of N_H from 10 to 40, but enlarges with the further increase of homopolymer chain length, which means that the stretching of diblock copolymer displays a non-monotonic dependence on the homopolymer chain length. When the diblock copolymer chain length is fixed as N_C=60, as the chain length of homopolymer increases from N_H=10 to 60, the interface thickness decreases and the diblock copolymer chain orientation parameter q decreases, indicating that the stretching of diblock chain is weakened.

Key words: Polymer blend, Interfacial property, Monte Carlo simulation

CLC Number:

O641

TrendMD:

LIU Dongmei, DUAN Xiaozheng, SHI Tongfei, JIANG Fang, ZHANG Hanzhuang. Monte Carlo Simulation of Effects of Homopolymer Chain Length on Interfacial Properties of A/AB/B Ternary Polymer Blends^†[J]. Chem. J. Chinese Universities, 2015, 36(12): 2532.

Figures/Tables 10

Fig.1 Snapshots of the system(A—D) and diblock polymers(E—H) The chain length of the copolmer is fixed as NC=20. The chain length of the homopolymer at NH=10(A, E), NH=20(B, F), NH=40(C, G) and NH=60(D, H).

Fig.2 Density distribution of homopolymer segments(A) and diblock copolymer segments(B) as a function of the chain length of homopolymer(NC=20) The solid and vacant symbols of (A) represent homopolymers A and B, respectively.

Fig.3 Interface coverage ratio(σ) and saturated interface density of homopolymer and diblock copolymer(NC=20) (A) NH=10; (B) NH=30.

Fig.4 Interface thickness of the blends as a function of the chain length of homopolymer(NC=20)

Fig.5 Chain orientation parameter(q) as a function of the chain length of homopolymer(NC=20)

Fig.6 Snapshots of the system(A—D) and diblock polymers(E—H) The chain length of the copolmer is fixed as NC=60. The chain length of the homopolymer at NH=10(A, E), NH=20(B, F), NH=40(C, G) and NH=60(D, H).

Fig.7 Density distribution of homopolymer segments(A) and diblock copolymer segments(B) as a function of the chain length of homopolymer(NC=60) The solid and vacant symbols of (A) represent homopolymers A and B, respectively.

Fig.8 Interface coverage ratio(σ) and saturated interface density of homopolymer and diblock copolymer(NC=60) (A) NH=10; (B) NH=30.

Fig.9 Interface thickness of the blends as a function of the chain length of homopolymer(NC=60)

Fig.10 Chain orientation parameter(q) as a function of the chain length of homo-polymer(NC=60)

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