Computer Simulation of Water Clusterization on Chlorine Ions: 1. Thermodynamic Properties

Cl^–(H₂O) _n clusters, n = 1–60, in equilibrium with vapor were simulated using the Monte Carlo method. Free energy and the work of clusters formation at room temperature and temperature corresponding to polar stratosphere were calculated. Clusters retain their stability over the entire investigated size range even at multiple vapor supersaturation; however, when supersaturation increases further, the cluster grows in an avalanche-like manner. In clusters with n > 20, the effect of ion field on the free energy of added molecules diminishes dramatically retaining, however, its stabilizing function.