Mean force potential between H3O+ and Cl- ions in molecular water clusters: 1. Atmospheric surface layer conditions

摘要

A method for calculating mean force potential for particles in systems with high potential barriers was developed. It was shown that the hydration of HCl resulted in the formation of molecular water clusters, which remained thermodynamically stable at 313 K. Two minima separated by the barrier were disclosed on the dependence of mean force potential between H3O+ and Cl- ions on interionic spacing in a cluster. Based on the data obtained, a general kinetic model was proposed that explained experimental observations (in atmosphere) of a large population of stable molecular water clusters containing ion pairs.