Effects of concentration and chain length of the sequence copolymer on interfacial properties of homopolymers/sequence copolymers ternary blends: A DPD simulation study

Dongmei Liu, Huifeng Bo, Yongchao Jin, Deyang Li, Zhanxin Zhang, Kai Gong, Ye Lin and Sijia Li

PLOS ONE, 2022, vol. 17, issue 7, 1-12

Abstract: The effect of the concentration and chain length of the copolymer AB with sequence length τ = 8 on the interfacial properties of the ternary mixtures A10/AB/B10 are investigated by the dissipative particle dynamics (DPD) simulations. It is found that: i) As the copolymer concentration varies from 0.05 to 0.15, increasing the copolymer enrichment at the center of the interface enlarges the interface width ω and reduces the interfacial tension. However, as the concentration of the sequence copolymers further increases to 0.2, because the interface has formed micelles and the micellization could lower the efficiency of copolymers as a compatibilizer, the interfacial tension exhibits a slightly increase; ii) elevating the copolymer chain length, the copolymer volumes vary from a cylinder shape to a pancake shape. The blends of the copolymer with chain length Ncp = 24 exhibit a wider interfacial width w and a lower interfacial tension γ, which indicates that the sequenced copolymer Ncp = 24 exhibits a better performance as the compatibilizers. This study illustrates the correlations between the reduction in interfacial tension produced by the sequence copolymers and their molecular parameters, which guide a rational design of an efficient compatibilizer.

Date: 2022
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Persistent link: https://EconPapers.repec.org/RePEc:plo:pone00:0270094

DOI: 10.1371/journal.pone.0270094

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