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|Title:||Mechanism of chain collapse of strongly charged polyelectrolytes|
|Authors:||Tom, A. M.|
Brilliantov, Nikolai V.
|Publisher:||American Physical Society|
|Citation:||Physical Review Letters 117, 147801 – Published 26 September 2016|
|Abstract:||We perform extensive molecular dynamics simulations of a charged polymer in a good solvent in the regime where the chain is collapsed. We analyze the dependence of the gyration radius Rg on the reduced Bjerrum length ℓB and find two different regimes. In the first one, called a weak electrostatic regime, Rg∼ℓ−1/2B, which is consistent only with the predictions of the counterion-fluctuation theory. In the second one, called a strong electrostatic regime, we find Rg∼ℓ−1/5B. To explain the novel regime we modify the counterion-fluctuation theory.|
|Rights:||Creative Commons “Attribution Non-Commercial No Derivatives” licence CC BY-NC-ND, further details of which can be found via the following link: http://creativecommons.org/licenses/by-nc-nd/4.0/ Archived with reference to SHERPA/RoMEO and publisher website.|
|Description:||The simulations were carried out on the supercomputing machines Annapurna, Nandadevi, and Satpura at The Institute of Mathematical Sciences.|
|Appears in Collections:||Published Articles, Dept. of Mathematics|
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