Model Medium with the Thermal and Transport Properties of Liquid Water

Abstract

A model of a Frenkel gas–solid system that consists of H2O molecules and H3O+ and OH– ions and has the same density and particle concentration as liquid water has been considered. Particles execute thermal vibrational–diffusion motion, in the course of which they collide, exchange protons, and interconvert. Under the assumption that the medium persists owing to ion–dipole forces, it has been shown that enthalpy of vaporization H, heat capacity C, and the transport parameters of the medium (self-diffusion coefficient D, viscosity η, and thermal conductivity θ) are close to reference values for liquid water throughout the temperature interval of its existence (250–600 K).