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|Title:||Regimes of electrostatic collapse of a highly charged polyelectrolyte in a poor solvent|
|Authors:||Tom, Anvy Moly|
Brilliantov, Nikolai V.
|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.|
|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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|Revision-Final-corr.pdf||Post-review (final submitted author manuscript)||1.44 MB||Adobe PDF||View/Open|
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