Strongly Charged, Flexible Polyelectrolytes in Poor Solvents: Molecular Dynamics Simulations

@article{Micka1998StronglyCF,
  title={Strongly Charged, Flexible Polyelectrolytes in Poor Solvents: Molecular Dynamics Simulations},
  author={U. Micka and C. Holm and K. Kremer},
  journal={Langmuir},
  year={1998},
  volume={15},
  pages={4033-4044}
}
  • U. Micka, C. Holm, K. Kremer
  • Published 1998
  • Physics, Chemistry
  • Langmuir
  • We present a set of molecular dynamics (MD) simulations of strongly charged, flexible polyelectrolyte chains under poor solvent conditions in a salt-free solution. Structural properties of the chains and of the solutions are reported. By varying the polymer density and the electrostatic interaction strength, we study the crossover from a dominating electrostatic interaction to the regime of strong screening, where the hydrophobic interactions dominate. During the crossover a multitude of… CONTINUE READING
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