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Scaling Theory of a Polymer Ejecting from a Cavity into a Semi-Space

A two-stage model is developed in order to understand the scaling behaviors of single polymers ejecting from a spherical cavity through a nanopore. The dynamics of ejection is derived by balancing the free energy change with the energy dissipation during a process. The ejection velocity is found to...

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Autor principal: Hsiao, Pai-Yi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7766115/
https://www.ncbi.nlm.nih.gov/pubmed/33339450
http://dx.doi.org/10.3390/polym12123014
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author Hsiao, Pai-Yi
author_facet Hsiao, Pai-Yi
author_sort Hsiao, Pai-Yi
collection PubMed
description A two-stage model is developed in order to understand the scaling behaviors of single polymers ejecting from a spherical cavity through a nanopore. The dynamics of ejection is derived by balancing the free energy change with the energy dissipation during a process. The ejection velocity is found to vary with the number of monomers in the cavity, m, as [Formula: see text] at the confined stage, and it turns to be [Formula: see text] at the non-confined stage, where N is the chain length and D the cavity diameter. The exponents are shown to be [Formula: see text] , [Formula: see text] and [Formula: see text] , with [Formula: see text] being the Flory exponent. The profile of the velocity is carefully verified by performing Langevin dynamics simulations. The simulations further reveal that, at the starting point, the decreasing of m can be stalled for a good moment. It suggests the existence of a pre-stage that can be explained by using the concept of a classical nucleation theory. By trimming the pre-stage, the ejection time are properly studied by varying N, D, and [Formula: see text] (the initial volume fraction). The scaling properties of the nucleation time are also analyzed. The results fully support the predictions of the theory. The physical pictures are given for various ejection conditions that cover the entire parameter space.
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spelling pubmed-77661152020-12-28 Scaling Theory of a Polymer Ejecting from a Cavity into a Semi-Space Hsiao, Pai-Yi Polymers (Basel) Article A two-stage model is developed in order to understand the scaling behaviors of single polymers ejecting from a spherical cavity through a nanopore. The dynamics of ejection is derived by balancing the free energy change with the energy dissipation during a process. The ejection velocity is found to vary with the number of monomers in the cavity, m, as [Formula: see text] at the confined stage, and it turns to be [Formula: see text] at the non-confined stage, where N is the chain length and D the cavity diameter. The exponents are shown to be [Formula: see text] , [Formula: see text] and [Formula: see text] , with [Formula: see text] being the Flory exponent. The profile of the velocity is carefully verified by performing Langevin dynamics simulations. The simulations further reveal that, at the starting point, the decreasing of m can be stalled for a good moment. It suggests the existence of a pre-stage that can be explained by using the concept of a classical nucleation theory. By trimming the pre-stage, the ejection time are properly studied by varying N, D, and [Formula: see text] (the initial volume fraction). The scaling properties of the nucleation time are also analyzed. The results fully support the predictions of the theory. The physical pictures are given for various ejection conditions that cover the entire parameter space. MDPI 2020-12-16 /pmc/articles/PMC7766115/ /pubmed/33339450 http://dx.doi.org/10.3390/polym12123014 Text en © 2020 by the author. 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
Hsiao, Pai-Yi
Scaling Theory of a Polymer Ejecting from a Cavity into a Semi-Space
title Scaling Theory of a Polymer Ejecting from a Cavity into a Semi-Space
title_full Scaling Theory of a Polymer Ejecting from a Cavity into a Semi-Space
title_fullStr Scaling Theory of a Polymer Ejecting from a Cavity into a Semi-Space
title_full_unstemmed Scaling Theory of a Polymer Ejecting from a Cavity into a Semi-Space
title_short Scaling Theory of a Polymer Ejecting from a Cavity into a Semi-Space
title_sort scaling theory of a polymer ejecting from a cavity into a semi-space
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7766115/
https://www.ncbi.nlm.nih.gov/pubmed/33339450
http://dx.doi.org/10.3390/polym12123014
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