Molecular Dynamics Simulations of Polyelectrolyte Solutions : Osmotic Coefficient and Counterion Condensation


Osmotic coefficients and counterion distribution functions of rodlike and flexible polyelectrolyte chains have been studied using molecular dynamics simulations of multichain systems with explicit counterions in salt-free solutions. Using the counterion density profile, we have verified different regimes in the phase diagram of rodlike and flexible chains… (More)

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