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Dissipative Particle Dynamics Study on Interfacial Properties of Symmetric Ternary Polymeric Blends

We investigated the interfacial properties of symmetric ternary A(n)/A(m)B(m)/B(n) and A(n)/A(m/2)B(m)A(m/2)/B(n) polymeric blends by means of dissipative particle dynamics (DPD) simulations. We systematically analyzed the effects of composition, chain length, and concentration of the copolymers on...

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Detalles Bibliográficos
Autores principales: Liu, Dongmei, Gong, Kai, Lin, Ye, Liu, Tao, Liu, Yu, Duan, Xiaozheng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8125886/
https://www.ncbi.nlm.nih.gov/pubmed/34066898
http://dx.doi.org/10.3390/polym13091516
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author Liu, Dongmei
Gong, Kai
Lin, Ye
Liu, Tao
Liu, Yu
Duan, Xiaozheng
author_facet Liu, Dongmei
Gong, Kai
Lin, Ye
Liu, Tao
Liu, Yu
Duan, Xiaozheng
author_sort Liu, Dongmei
collection PubMed
description We investigated the interfacial properties of symmetric ternary A(n)/A(m)B(m)/B(n) and A(n)/A(m/2)B(m)A(m/2)/B(n) polymeric blends by means of dissipative particle dynamics (DPD) simulations. We systematically analyzed the effects of composition, chain length, and concentration of the copolymers on the interfacial tensions, interfacial widths, and the structures of each polymer component in the blends. Our simulations show that: (i) the efficiency of the copolymers in reducing the interfacial tension is highly dependent on their compositions. The triblock copolymers are more effective in reducing the interfacial tension compared to that of the diblock copolymers at the same chain length and concentration; (ii) the interfacial tension of the blends increases with increases in the triblock copolymer chain length, which indicates that the triblock copolymers with a shorter chain length exhibit a better performance as the compatibilizers compared to that of their counterparts with longer chain lengths; and (iii) elevating the triblock copolymer concentration can promote copolymer enrichment at the center of the interface, which enlarges the width of the phase interfaces and reduces the interfacial tension. These findings illustrate the correlations between the efficiency of copolymer compatibilizers and their detailed molecular parameters.
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spelling pubmed-81258862021-05-17 Dissipative Particle Dynamics Study on Interfacial Properties of Symmetric Ternary Polymeric Blends Liu, Dongmei Gong, Kai Lin, Ye Liu, Tao Liu, Yu Duan, Xiaozheng Polymers (Basel) Article We investigated the interfacial properties of symmetric ternary A(n)/A(m)B(m)/B(n) and A(n)/A(m/2)B(m)A(m/2)/B(n) polymeric blends by means of dissipative particle dynamics (DPD) simulations. We systematically analyzed the effects of composition, chain length, and concentration of the copolymers on the interfacial tensions, interfacial widths, and the structures of each polymer component in the blends. Our simulations show that: (i) the efficiency of the copolymers in reducing the interfacial tension is highly dependent on their compositions. The triblock copolymers are more effective in reducing the interfacial tension compared to that of the diblock copolymers at the same chain length and concentration; (ii) the interfacial tension of the blends increases with increases in the triblock copolymer chain length, which indicates that the triblock copolymers with a shorter chain length exhibit a better performance as the compatibilizers compared to that of their counterparts with longer chain lengths; and (iii) elevating the triblock copolymer concentration can promote copolymer enrichment at the center of the interface, which enlarges the width of the phase interfaces and reduces the interfacial tension. These findings illustrate the correlations between the efficiency of copolymer compatibilizers and their detailed molecular parameters. MDPI 2021-05-08 /pmc/articles/PMC8125886/ /pubmed/34066898 http://dx.doi.org/10.3390/polym13091516 Text en © 2021 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Liu, Dongmei
Gong, Kai
Lin, Ye
Liu, Tao
Liu, Yu
Duan, Xiaozheng
Dissipative Particle Dynamics Study on Interfacial Properties of Symmetric Ternary Polymeric Blends
title Dissipative Particle Dynamics Study on Interfacial Properties of Symmetric Ternary Polymeric Blends
title_full Dissipative Particle Dynamics Study on Interfacial Properties of Symmetric Ternary Polymeric Blends
title_fullStr Dissipative Particle Dynamics Study on Interfacial Properties of Symmetric Ternary Polymeric Blends
title_full_unstemmed Dissipative Particle Dynamics Study on Interfacial Properties of Symmetric Ternary Polymeric Blends
title_short Dissipative Particle Dynamics Study on Interfacial Properties of Symmetric Ternary Polymeric Blends
title_sort dissipative particle dynamics study on interfacial properties of symmetric ternary polymeric blends
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8125886/
https://www.ncbi.nlm.nih.gov/pubmed/34066898
http://dx.doi.org/10.3390/polym13091516
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