Calculation of Binary Distribution Functions and Thermodynamic Characteristics of Aqueous Solutions of Strong Electrolytes by the Monte Carlo Method

Abstract

An aqueous solution of a strong electrolyte is a system consisting of positive and negative solute ions distributed among the polar water molecules. In attempting to give a theoretical description of the thermodynamic properties of such a system, one is confronted with difficulties resulting from the extreme mathematical complexity of the statistical problem, inwhichconsideration must be given to all the different types of interaction in the system (ion-ion, ion-dipole, and dipole-dipole), the repulsive forces over short distances, and the specific interaction of the water molecules with one another, which entails formation of hydrogen bonds.

Translated from Struktura i Rol’ Vody v Zhivom Organizme 2:99–106 (1968).