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arxiv: 1606.02095 · v1 · pith:7KPY5D2Pnew · submitted 2016-06-07 · ❄️ cond-mat.soft

Mechanism of chain collapse of strongly charged polyelectrolytes

classification ❄️ cond-mat.soft
keywords regimecalledchainchargedcounterion-fluctuationelectrostaticfindtheory
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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 $R_g $ on the reduced Bjerrum length $\ell_B$ and find two different regimes. In the first one, called as a weak electrostatic regime, $R_g \sim \ell_B^{-1/2}$, which is consistent only with the predictions of the counterion-fluctuation theory. In the second one, called a strong electrostatic regime, we find $R_g \sim \ell_B^{-1/5}$. To explain the novel regime we modify the counterion-fluctuation theory.

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