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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...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2021
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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. |
format | Online Article Text |
id | pubmed-8125886 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
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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