Monte Carlo simulations of stretched charged polymers

Article Abstract:

An investigation was made of the force-extension behavior of charged polymers by using Monte Carlo simulations in the stress ensemble, strain ensemble and by a method that gives the free energy for a chosen range of end-to-end distances. Net-neutral polyampholytes as a function of charge block size, and polyelectrolytes with neutralizing counterions of various valences were studied to focus on the effects of polymer charge on the force-extension curve.

Polymers, Chemical synthesis

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Effects of ion size and valence on ion distribution in mixed counterion systems of a rodlike polyelectrolyte solution. 2. Mixed-valence counterion systems

Article Abstract:

A cylindrical cell model was used to investigate the characteristics of the ion distributions in the systems of salt-free polyelectrolyte solution with mixed-valence counterions. The mixtures of two species of the counterion with different valences were simulated by using the Monte Carlo model in a primitive model of the rodlike polyelectrolyte solution.

Ions, Electrolyte solutions

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