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Universal size ratios of Gaussian polymers with complex architecture: radius of gyration vs hydrodynamic radius

We study the impact of arm architecture of polymers with a single branch point on their structure in solvents. Many physical properties of polymer liquids strongly dependent on the size and shape measures of individual macromolecules, which in turn are determined by their topology. Here, we use comb...

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Autores principales: Haydukivska, Khristine, Blavatska, Viktoria, Paturej, Jarosław
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7445302/
https://www.ncbi.nlm.nih.gov/pubmed/32839515
http://dx.doi.org/10.1038/s41598-020-70649-z
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author Haydukivska, Khristine
Blavatska, Viktoria
Paturej, Jarosław
author_facet Haydukivska, Khristine
Blavatska, Viktoria
Paturej, Jarosław
author_sort Haydukivska, Khristine
collection PubMed
description We study the impact of arm architecture of polymers with a single branch point on their structure in solvents. Many physical properties of polymer liquids strongly dependent on the size and shape measures of individual macromolecules, which in turn are determined by their topology. Here, we use combination of analytical theory, based on path integration method, and molecular dynamics simulations to study structural properties of complex Gaussian polymers containing [Formula: see text] linear branches and [Formula: see text] closed loops grafted to the central core. We determine size measures such as the gyration radius [Formula: see text] and the hydrodynamic radii [Formula: see text] , and obtain the estimates for the size ratio [Formula: see text] with its dependence on the functionality [Formula: see text] of grafted polymers. In particular, we obtain the quantitative estimate of the degree of compactification of these polymers with increasing number of closed loops [Formula: see text] as compared to linear or star-shape molecules of the same total molecular weight. Numerical simulations corroborate theoretical prediction that [Formula: see text] decreases towards unity with increasing f. These findings provide qualitative description of polymers with complex architecture in [Formula: see text] solvents.
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spelling pubmed-74453022020-08-26 Universal size ratios of Gaussian polymers with complex architecture: radius of gyration vs hydrodynamic radius Haydukivska, Khristine Blavatska, Viktoria Paturej, Jarosław Sci Rep Article We study the impact of arm architecture of polymers with a single branch point on their structure in solvents. Many physical properties of polymer liquids strongly dependent on the size and shape measures of individual macromolecules, which in turn are determined by their topology. Here, we use combination of analytical theory, based on path integration method, and molecular dynamics simulations to study structural properties of complex Gaussian polymers containing [Formula: see text] linear branches and [Formula: see text] closed loops grafted to the central core. We determine size measures such as the gyration radius [Formula: see text] and the hydrodynamic radii [Formula: see text] , and obtain the estimates for the size ratio [Formula: see text] with its dependence on the functionality [Formula: see text] of grafted polymers. In particular, we obtain the quantitative estimate of the degree of compactification of these polymers with increasing number of closed loops [Formula: see text] as compared to linear or star-shape molecules of the same total molecular weight. Numerical simulations corroborate theoretical prediction that [Formula: see text] decreases towards unity with increasing f. These findings provide qualitative description of polymers with complex architecture in [Formula: see text] solvents. Nature Publishing Group UK 2020-08-24 /pmc/articles/PMC7445302/ /pubmed/32839515 http://dx.doi.org/10.1038/s41598-020-70649-z Text en © The Author(s) 2020 Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.
spellingShingle Article
Haydukivska, Khristine
Blavatska, Viktoria
Paturej, Jarosław
Universal size ratios of Gaussian polymers with complex architecture: radius of gyration vs hydrodynamic radius
title Universal size ratios of Gaussian polymers with complex architecture: radius of gyration vs hydrodynamic radius
title_full Universal size ratios of Gaussian polymers with complex architecture: radius of gyration vs hydrodynamic radius
title_fullStr Universal size ratios of Gaussian polymers with complex architecture: radius of gyration vs hydrodynamic radius
title_full_unstemmed Universal size ratios of Gaussian polymers with complex architecture: radius of gyration vs hydrodynamic radius
title_short Universal size ratios of Gaussian polymers with complex architecture: radius of gyration vs hydrodynamic radius
title_sort universal size ratios of gaussian polymers with complex architecture: radius of gyration vs hydrodynamic radius
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7445302/
https://www.ncbi.nlm.nih.gov/pubmed/32839515
http://dx.doi.org/10.1038/s41598-020-70649-z
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