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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2019
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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. |
format | Online Article Text |
id | pubmed-6960585 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
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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