Monte Carlo simulations of a hydrophobic weak polyelectrolyte. Charge distribution as a function of conformation

J.L.F. Abascal, A.P. Sassi, H.W. Blanch and J.M. Prausnitz

Journal of Chemical Physics 99, 4231-4232, (1993)

ABSTRACT

Monte Carlo simulations were performed to obtain the distribution of charged segments around the center of mass in a lattice-model, isolated weak polyelectrolyte with attractive segment-segment (hydrophobic) interactions. The charge distribution (relative to the mean ionization for a given state) is shown to depend essentially on chain conformation (stiffness).