Please use this identifier to cite or link to this item: http://hdl.handle.net/2381/39651
Title: Regimes of electrostatic collapse of a highly charged polyelectrolyte in a poor solvent
Authors: Tom, Anvy Moly
Vemparala, Satyavani
Rajesh, R.
Brilliantov, Nikolai V.
First Published: 25-Jan-2017
Publisher: Royal Society of Chemistry
Citation: Soft Matter, 2017, 13 (9), pp. 1862-1872
Abstract: We perform extensive molecular dynamics simulations of a highly charged, collapsed, flexible polyelectrolyte chain in a poor solvent for the case when the electrostatic interactions, characterized by the reduced Bjerrum length ℲB, are strong. We find the existence of several sub-regimes in the dependence of the gyration radius of the chain Rg on ℲB characterized by Rg ∼ Ⅎ−γB. In contrast to a good solvent, the exponent γ for a poor solvent crucially depends on the size and valency of the counterions. To explain the different sub-regimes, we generalize the existing counterion fluctuation theory by including a more complete account of all possible volume interactions in the free energy of the polyelectrolyte chain. We also show that the presence of condensed counterions modifies the effective attraction among the chain monomers and modulates the sign of the second virial coefficient under poor solvent conditions.
DOI Link: 10.1039/C6SM02152B
ISSN: 1744-683X
eISSN: 1744-6848
Links: http://pubs.rsc.org/en/Content/ArticleLanding/2017/SM/C6SM02152B#!divAbstract
http://hdl.handle.net/2381/39651
Embargo on file until: 25-Jan-2018
Version: Post-print
Status: Peer-reviewed
Type: Journal Article
Rights: Copyright © 2017, Royal Society of Chemistry. Deposited with reference to the publisher’s archiving policy available on the SHERPA/RoMEO website.
Description: The file associated with this record is embargoed until 12 months after the date of publication. The final published version may be available through the links above.
Appears in Collections:Published Articles, Dept. of Mathematics

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