University of Leicester
Browse
Revision-Final-corr.pdf (1.4 MB)

Regimes of electrostatic collapse of a highly charged polyelectrolyte in a poor solvent

Download (1.4 MB)
journal contribution
posted on 2017-04-11, 11:12 authored by Anvy Moly Tom, Satyavani Vemparala, R. Rajesh, Nikolai V. Brilliantov
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.

History

Citation

Soft Matter, 2017, 13 (9), pp. 1862-1872

Author affiliation

/Organisation/COLLEGE OF SCIENCE AND ENGINEERING/Department of Mathematics

Version

  • AM (Accepted Manuscript)

Published in

Soft Matter

Publisher

Royal Society of Chemistry

issn

1744-683X

eissn

1744-6848

Acceptance date

2017-01-25

Copyright date

2017

Available date

2018-01-25

Publisher version

http://pubs.rsc.org/en/Content/ArticleLanding/2017/SM/C6SM02152B#!divAbstract

Notes

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.

Language

en

Usage metrics

    University of Leicester Publications

    Categories

    Keywords

    Exports

    RefWorks
    BibTeX
    Ref. manager
    Endnote
    DataCite
    NLM
    DC