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Loop and Bridge Conformations of ABA Triblock Comb Copolymers: A Conformational Assessment for Molecular Composites
We computationally investigate the conformational behavior, “bridging” chain, between different the phase-separated domains vs “looping” chain on the same domain, for two chain architectures of ABA triblock copolymers, one with a linear architecture (L-TBC) and the other with comb architecture (C-TB...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9183157/ https://www.ncbi.nlm.nih.gov/pubmed/35683973 http://dx.doi.org/10.3390/polym14112301 |
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author | Park, Jihoon Jung, Je-Yeon Shin, Hyun-Woo Park, Jong-Wan Bang, Joona Huh, June |
author_facet | Park, Jihoon Jung, Je-Yeon Shin, Hyun-Woo Park, Jong-Wan Bang, Joona Huh, June |
author_sort | Park, Jihoon |
collection | PubMed |
description | We computationally investigate the conformational behavior, “bridging” chain, between different the phase-separated domains vs “looping” chain on the same domain, for two chain architectures of ABA triblock copolymers, one with a linear architecture (L-TBC) and the other with comb architecture (C-TBC) at various segregation regimes using dissipative particle dynamics (DPD) simulations. The power-law relation between the bridge fraction ([Formula: see text]) and the interaction parameter ([Formula: see text]) for C-TBC is found to be [Formula: see text] in the vicinity of the order-disorder transition ([Formula: see text]), indicating a drastic conversion from the bridge to the loop conformation. When [Formula: see text] further increases, the bridge-loop conversions slow down to have the power law, [Formula: see text] , approaching the theoretical power law [Formula: see text] predicted in the strong segregation limit. The conformational assessment conducted in the present study can provide a strategy of designing optimal material and processing conditions for triblock copolymer either with linear or comb architecture to be used for thermoplastic elastomer or molecular nanocomposites. |
format | Online Article Text |
id | pubmed-9183157 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-91831572022-06-10 Loop and Bridge Conformations of ABA Triblock Comb Copolymers: A Conformational Assessment for Molecular Composites Park, Jihoon Jung, Je-Yeon Shin, Hyun-Woo Park, Jong-Wan Bang, Joona Huh, June Polymers (Basel) Communication We computationally investigate the conformational behavior, “bridging” chain, between different the phase-separated domains vs “looping” chain on the same domain, for two chain architectures of ABA triblock copolymers, one with a linear architecture (L-TBC) and the other with comb architecture (C-TBC) at various segregation regimes using dissipative particle dynamics (DPD) simulations. The power-law relation between the bridge fraction ([Formula: see text]) and the interaction parameter ([Formula: see text]) for C-TBC is found to be [Formula: see text] in the vicinity of the order-disorder transition ([Formula: see text]), indicating a drastic conversion from the bridge to the loop conformation. When [Formula: see text] further increases, the bridge-loop conversions slow down to have the power law, [Formula: see text] , approaching the theoretical power law [Formula: see text] predicted in the strong segregation limit. The conformational assessment conducted in the present study can provide a strategy of designing optimal material and processing conditions for triblock copolymer either with linear or comb architecture to be used for thermoplastic elastomer or molecular nanocomposites. MDPI 2022-06-06 /pmc/articles/PMC9183157/ /pubmed/35683973 http://dx.doi.org/10.3390/polym14112301 Text en © 2022 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 | Communication Park, Jihoon Jung, Je-Yeon Shin, Hyun-Woo Park, Jong-Wan Bang, Joona Huh, June Loop and Bridge Conformations of ABA Triblock Comb Copolymers: A Conformational Assessment for Molecular Composites |
title | Loop and Bridge Conformations of ABA Triblock Comb Copolymers: A Conformational Assessment for Molecular Composites |
title_full | Loop and Bridge Conformations of ABA Triblock Comb Copolymers: A Conformational Assessment for Molecular Composites |
title_fullStr | Loop and Bridge Conformations of ABA Triblock Comb Copolymers: A Conformational Assessment for Molecular Composites |
title_full_unstemmed | Loop and Bridge Conformations of ABA Triblock Comb Copolymers: A Conformational Assessment for Molecular Composites |
title_short | Loop and Bridge Conformations of ABA Triblock Comb Copolymers: A Conformational Assessment for Molecular Composites |
title_sort | loop and bridge conformations of aba triblock comb copolymers: a conformational assessment for molecular composites |
topic | Communication |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9183157/ https://www.ncbi.nlm.nih.gov/pubmed/35683973 http://dx.doi.org/10.3390/polym14112301 |
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