Lattice Monte Carlo simulations of three-dimensional charged polymer chains. II. Added salt.
The configurational properties of strongly charged polyelectrolytes accompanied by counterions and salt ions in dilute solutions are simulated using the cooperative motion algorithm on the face-centered-cubic lattice. The calculations indicate that both positive and negative ions condense on the chains at sufficiently low temperatures and their amount depends on the concentration of added salt. As the temperature decreases from high to low, the chains undergo conformational changes from neutral-like, self-avoiding polymers by more outstretched forms to compact globules. The observed extension of the chains at intermediate temperatures is also affected by the amount of salt. Furthermore, configurations with the lowest energies recorded at the lowest temperatures are aggregates of single or more entangled chains and ions of both types.
Klos
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J
Max-Planck-Institute for Polymer Research, Postfach 3148, 55021 Mainz, Germany. klos@spin.amu.edu.pl
Pakula
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