Abstract

The dependence of the mean force potential of interaction between H3O+ and OH− ions in water molecule clusters is calculated by the Monte Carlo method in a grand canonical statistical ensemble at temperature of 273 K within a broad range of vapor pressures corresponding to natural atmospheric conditions. A high (up to 200k BT) barrier, which resulted in the retardation of recombination in clusters, as well as the accumulation of nonrecombined ion pairs, is revealed based on the dependence of the mean force potential on the interionic distance. Using parameters calculated by the Monte Carlo method, we solved the kinetic equation for the stationary regime of the production and recombination of ion pairs and evaluated the relative concentration of ion pairs and relaxation time, which are consistent with experimental values and explain the enhanced sensitivity of electric properties of water vapors to the sources of ionizing radiation observed in experiments.

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