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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...

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Autores principales: Park, Jihoon, Jung, Je-Yeon, Shin, Hyun-Woo, Park, Jong-Wan, Bang, Joona, Huh, June
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
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.
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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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