Thermodynamics of polyelectrolyte solution based on modified perturbed hard-sphere-chain theory : consideration of electrostatic contribution in activity

Abstract

The electrostatic contribution of polyelectrolye solution reported by Chiew et. al. is adapted as a reference term in perturbed hard-sphere-chain(PHSC) theory. The new model better agrees with the simulation data for electrostatic activity than those of PHSC with Debye-Huckel theory. The new model is also compared with Chiew’s original model that was formulated in the context of the two-density Ornstein?Zernike integral equation theory within the mean spherical approximation. The electrostatic activity, osmotic pressure, Helmholtz free energy are derived analytically.