Monte Carlo studies of polyelectrolyte solutions at low degrees of polymerization

Abstract

Monte Carlo method is applied for calculation of the osmotic coefficient for a cell model of polyelectrolyte solutions. The polyion is a rigid cylinder of finite length fixed along the axis of a cylindrical cell and the counterions are hard spheres distributed within the cell in a dielectric continuum. Only Coulombic interactions among all charges are considered. The osmotic coefficient is found to decrease with increasing degree of polymerization. The concentration dependence of the osmotic coefficient exhibits a minimum which is shifted toward lower concentrations with increasing degree of polymerization.