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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

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 A(10)/AB/B(10) are investigated by the dissipative particle dynamics (DPD) simulations. It is found that: i) As the copolymer concentration varies fro...

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Autores principales: Liu, Dongmei, Bo, Huifeng, Jin, Yongchao, Li, Deyang, Zhang, Zhanxin, Gong, Kai, Lin, Ye, Li, Sijia
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9321409/
https://www.ncbi.nlm.nih.gov/pubmed/35881587
http://dx.doi.org/10.1371/journal.pone.0270094
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author Liu, Dongmei
Bo, Huifeng
Jin, Yongchao
Li, Deyang
Zhang, Zhanxin
Gong, Kai
Lin, Ye
Li, Sijia
author_facet Liu, Dongmei
Bo, Huifeng
Jin, Yongchao
Li, Deyang
Zhang, Zhanxin
Gong, Kai
Lin, Ye
Li, Sijia
author_sort Liu, Dongmei
collection PubMed
description 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 A(10)/AB/B(10) 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 N(cp) = 24 exhibit a wider interfacial width w and a lower interfacial tension γ, which indicates that the sequenced copolymer N(cp) = 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.
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spelling pubmed-93214092022-07-27 Effects of concentration and chain length of the sequence copolymer on interfacial properties of homopolymers/sequence copolymers ternary blends: A DPD simulation study Liu, Dongmei Bo, Huifeng Jin, Yongchao Li, Deyang Zhang, Zhanxin Gong, Kai Lin, Ye Li, Sijia PLoS One Research Article 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 A(10)/AB/B(10) 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 N(cp) = 24 exhibit a wider interfacial width w and a lower interfacial tension γ, which indicates that the sequenced copolymer N(cp) = 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. Public Library of Science 2022-07-26 /pmc/articles/PMC9321409/ /pubmed/35881587 http://dx.doi.org/10.1371/journal.pone.0270094 Text en © 2022 Liu et al https://creativecommons.org/licenses/by/4.0/This is an open access article distributed under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0/) , which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
spellingShingle Research Article
Liu, Dongmei
Bo, Huifeng
Jin, Yongchao
Li, Deyang
Zhang, Zhanxin
Gong, Kai
Lin, Ye
Li, Sijia
Effects of concentration and chain length of the sequence copolymer on interfacial properties of homopolymers/sequence copolymers ternary blends: A DPD simulation study
title Effects of concentration and chain length of the sequence copolymer on interfacial properties of homopolymers/sequence copolymers ternary blends: A DPD simulation study
title_full Effects of concentration and chain length of the sequence copolymer on interfacial properties of homopolymers/sequence copolymers ternary blends: A DPD simulation study
title_fullStr Effects of concentration and chain length of the sequence copolymer on interfacial properties of homopolymers/sequence copolymers ternary blends: A DPD simulation study
title_full_unstemmed Effects of concentration and chain length of the sequence copolymer on interfacial properties of homopolymers/sequence copolymers ternary blends: A DPD simulation study
title_short Effects of concentration and chain length of the sequence copolymer on interfacial properties of homopolymers/sequence copolymers ternary blends: A DPD simulation study
title_sort effects of concentration and chain length of the sequence copolymer on interfacial properties of homopolymers/sequence copolymers ternary blends: a dpd simulation study
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9321409/
https://www.ncbi.nlm.nih.gov/pubmed/35881587
http://dx.doi.org/10.1371/journal.pone.0270094
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