Equilibrium properties of a 2–2 electrolyte model

Abstract

Thermodynamic and structural results are reported for the restricted primitive model (RPM) in the 2–2 aqueous electrolyte regime. The regime corresponds to salt concentrations from 0·0001 M to 3 M, at 25°C. The Monte Carlo method, the HNC approximation and a PY-like integral equation were used in order to examine the model system.

Good agreement is found between the various methods, except at the intermediate concentrations, where the HNC overestimates the amount of triple-ion aggregates (+ - + and - + -).