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Entropy-Induced Separation of Binary Semiflexible Ring Polymer Mixtures in Spherical Confinement

Coarse-grained molecular dynamics simulations are used to investigate the conformations of binary semiflexible ring polymers (SRPs) of two different lengths confined in a hard sphere. Segregated structures of SRPs in binary mixtures are strongly dependent upon the number density of system (ρ), the b...

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Detalles Bibliográficos
Autores principales: Zhou, Xiaolin, Guo, Fuchen, Li, Ke, He, Linli, Zhang, Linxi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6960585/
https://www.ncbi.nlm.nih.gov/pubmed/31810347
http://dx.doi.org/10.3390/polym11121992
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author Zhou, Xiaolin
Guo, Fuchen
Li, Ke
He, Linli
Zhang, Linxi
author_facet Zhou, Xiaolin
Guo, Fuchen
Li, Ke
He, Linli
Zhang, Linxi
author_sort Zhou, Xiaolin
collection PubMed
description Coarse-grained molecular dynamics simulations are used to investigate the conformations of binary semiflexible ring polymers (SRPs) of two different lengths confined in a hard sphere. Segregated structures of SRPs in binary mixtures are strongly dependent upon the number density of system (ρ), the bending energy of long SRPs (K(b), long), and the chain length ratio of long to short SRPs (α). With a low ρ or a weak K(b), long at a small ratio α, long SRPs are immersed randomly in the matrix of short SRPs. As ρ and bending energy of long SRPs (K(b), long) are increased up to a certain value for a large ratio α, a nearly complete segregation between long and short SRPs is observed, which can be further characterized by the ratio of tangential and radial components of long SRPs velocity. These explicit segregated structures of the two components in spherical confinement are induced by a delicate competition between the entropic excluded volume (depletion) effects and bending contributions.
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spelling pubmed-69605852020-01-23 Entropy-Induced Separation of Binary Semiflexible Ring Polymer Mixtures in Spherical Confinement Zhou, Xiaolin Guo, Fuchen Li, Ke He, Linli Zhang, Linxi Polymers (Basel) Article Coarse-grained molecular dynamics simulations are used to investigate the conformations of binary semiflexible ring polymers (SRPs) of two different lengths confined in a hard sphere. Segregated structures of SRPs in binary mixtures are strongly dependent upon the number density of system (ρ), the bending energy of long SRPs (K(b), long), and the chain length ratio of long to short SRPs (α). With a low ρ or a weak K(b), long at a small ratio α, long SRPs are immersed randomly in the matrix of short SRPs. As ρ and bending energy of long SRPs (K(b), long) are increased up to a certain value for a large ratio α, a nearly complete segregation between long and short SRPs is observed, which can be further characterized by the ratio of tangential and radial components of long SRPs velocity. These explicit segregated structures of the two components in spherical confinement are induced by a delicate competition between the entropic excluded volume (depletion) effects and bending contributions. MDPI 2019-12-02 /pmc/articles/PMC6960585/ /pubmed/31810347 http://dx.doi.org/10.3390/polym11121992 Text en © 2019 by the authors. 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 (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Zhou, Xiaolin
Guo, Fuchen
Li, Ke
He, Linli
Zhang, Linxi
Entropy-Induced Separation of Binary Semiflexible Ring Polymer Mixtures in Spherical Confinement
title Entropy-Induced Separation of Binary Semiflexible Ring Polymer Mixtures in Spherical Confinement
title_full Entropy-Induced Separation of Binary Semiflexible Ring Polymer Mixtures in Spherical Confinement
title_fullStr Entropy-Induced Separation of Binary Semiflexible Ring Polymer Mixtures in Spherical Confinement
title_full_unstemmed Entropy-Induced Separation of Binary Semiflexible Ring Polymer Mixtures in Spherical Confinement
title_short Entropy-Induced Separation of Binary Semiflexible Ring Polymer Mixtures in Spherical Confinement
title_sort entropy-induced separation of binary semiflexible ring polymer mixtures in spherical confinement
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6960585/
https://www.ncbi.nlm.nih.gov/pubmed/31810347
http://dx.doi.org/10.3390/polym11121992
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