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Effects of Repulsion Parameter and Chain Length of Homopolymers on Interfacial Properties of A(n)/A(x/2)B(x)A(x/2)/B(m) Blends: A DPD Simulation Study

We explored the effects of the repulsion parameter ([Formula: see text]) and chain length (N(HA) or N(HB)) of homopolymers on the interfacial properties of A(n)/A(x/2)B(x)A(x/2)/B(m) ternary polymeric blends using dissipative particle dynamics (DPD) simulations. Our simulations show that: (i) The te...

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Autores principales: Liu, Dongmei, Gong, Kai, Lin, Ye, Bo, Huifeng, Liu, Tao, Duan, Xiaozheng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8309644/
https://www.ncbi.nlm.nih.gov/pubmed/34301090
http://dx.doi.org/10.3390/polym13142333
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author Liu, Dongmei
Gong, Kai
Lin, Ye
Bo, Huifeng
Liu, Tao
Duan, Xiaozheng
author_facet Liu, Dongmei
Gong, Kai
Lin, Ye
Bo, Huifeng
Liu, Tao
Duan, Xiaozheng
author_sort Liu, Dongmei
collection PubMed
description We explored the effects of the repulsion parameter ([Formula: see text]) and chain length (N(HA) or N(HB)) of homopolymers on the interfacial properties of A(n)/A(x/2)B(x)A(x/2)/B(m) ternary polymeric blends using dissipative particle dynamics (DPD) simulations. Our simulations show that: (i) The ternary blends exhibit the significant segregation at the repulsion parameter ([Formula: see text] = 40). (ii) Both the interfacial tension and the density of triblock copolymer at the center of the interface increase to a plateau with increasing the homopolymer chain length, which indicates that the triblock copolymers with shorter chain length exhibit better performance as the compatibilizers for stabilizing the blends. (iii) For the case of N(HA) = 4 (chain length of homopolymers A(n)) and N(HB) (chain length of homopolymers B(m)) ranging from 16 to 64, the blends exhibit larger interfacial widths with a weakened correlation between bead A(n) and B(m) of homopolymers, which indicates that the triblock copolymer compatibilizers (A(x/2)B(x)A(x/2)) show better performance in reducing the interfacial tension. The effectiveness of triblock copolymer compatibilizers is, thus, controlled by the regulation of repulsion parameters and the homopolymer chain length. This work raises important considerations concerning the use of the triblock copolymer as compatibilizers in the immiscible homopolymer blend systems.
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spelling pubmed-83096442021-07-25 Effects of Repulsion Parameter and Chain Length of Homopolymers on Interfacial Properties of A(n)/A(x/2)B(x)A(x/2)/B(m) Blends: A DPD Simulation Study Liu, Dongmei Gong, Kai Lin, Ye Bo, Huifeng Liu, Tao Duan, Xiaozheng Polymers (Basel) Article We explored the effects of the repulsion parameter ([Formula: see text]) and chain length (N(HA) or N(HB)) of homopolymers on the interfacial properties of A(n)/A(x/2)B(x)A(x/2)/B(m) ternary polymeric blends using dissipative particle dynamics (DPD) simulations. Our simulations show that: (i) The ternary blends exhibit the significant segregation at the repulsion parameter ([Formula: see text] = 40). (ii) Both the interfacial tension and the density of triblock copolymer at the center of the interface increase to a plateau with increasing the homopolymer chain length, which indicates that the triblock copolymers with shorter chain length exhibit better performance as the compatibilizers for stabilizing the blends. (iii) For the case of N(HA) = 4 (chain length of homopolymers A(n)) and N(HB) (chain length of homopolymers B(m)) ranging from 16 to 64, the blends exhibit larger interfacial widths with a weakened correlation between bead A(n) and B(m) of homopolymers, which indicates that the triblock copolymer compatibilizers (A(x/2)B(x)A(x/2)) show better performance in reducing the interfacial tension. The effectiveness of triblock copolymer compatibilizers is, thus, controlled by the regulation of repulsion parameters and the homopolymer chain length. This work raises important considerations concerning the use of the triblock copolymer as compatibilizers in the immiscible homopolymer blend systems. MDPI 2021-07-16 /pmc/articles/PMC8309644/ /pubmed/34301090 http://dx.doi.org/10.3390/polym13142333 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
Bo, Huifeng
Liu, Tao
Duan, Xiaozheng
Effects of Repulsion Parameter and Chain Length of Homopolymers on Interfacial Properties of A(n)/A(x/2)B(x)A(x/2)/B(m) Blends: A DPD Simulation Study
title Effects of Repulsion Parameter and Chain Length of Homopolymers on Interfacial Properties of A(n)/A(x/2)B(x)A(x/2)/B(m) Blends: A DPD Simulation Study
title_full Effects of Repulsion Parameter and Chain Length of Homopolymers on Interfacial Properties of A(n)/A(x/2)B(x)A(x/2)/B(m) Blends: A DPD Simulation Study
title_fullStr Effects of Repulsion Parameter and Chain Length of Homopolymers on Interfacial Properties of A(n)/A(x/2)B(x)A(x/2)/B(m) Blends: A DPD Simulation Study
title_full_unstemmed Effects of Repulsion Parameter and Chain Length of Homopolymers on Interfacial Properties of A(n)/A(x/2)B(x)A(x/2)/B(m) Blends: A DPD Simulation Study
title_short Effects of Repulsion Parameter and Chain Length of Homopolymers on Interfacial Properties of A(n)/A(x/2)B(x)A(x/2)/B(m) Blends: A DPD Simulation Study
title_sort effects of repulsion parameter and chain length of homopolymers on interfacial properties of a(n)/a(x/2)b(x)a(x/2)/b(m) blends: a dpd simulation study
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8309644/
https://www.ncbi.nlm.nih.gov/pubmed/34301090
http://dx.doi.org/10.3390/polym13142333
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