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

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Listed:
  • Dongmei Liu
  • Huifeng Bo
  • Yongchao Jin
  • Deyang Li
  • Zhanxin Zhang
  • Kai Gong
  • Ye Lin
  • Sijia Li

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.

Suggested Citation

  • Dongmei Liu & Huifeng Bo & Yongchao Jin & Deyang Li & Zhanxin Zhang & Kai Gong & Ye Lin & Sijia Li, 2022. "Effects of concentration and chain length of the sequence copolymer on interfacial properties of homopolymers/sequence copolymers ternary blends: A DPD simulation study," PLOS ONE, Public Library of Science, vol. 17(7), pages 1-12, July.
  • Handle: RePEc:plo:pone00:0270094
    DOI: 10.1371/journal.pone.0270094
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    References listed on IDEAS

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    1. Yao Lin & Alexander Böker & Jinbo He & Kevin Sill & Hongqi Xiang & Clarissa Abetz & Xuefa Li & Jin Wang & Todd Emrick & Su Long & Qian Wang & Anna Balazs & Thomas P. Russell, 2005. "Self-directed self-assembly of nanoparticle/copolymer mixtures," Nature, Nature, vol. 434(7029), pages 55-59, March.
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