离子与水相互作用的研究在化学、生物学领域里有重要意义。对离子-水体系的研究,近年来从1979年Geiger等人的工作开始,人们用Monte Carlo和分子动力学方法,对离子水化问题进行了大量的计算机模拟。Lybrand和Kollman在1985年又给出了水—水、离子—水相互作用的多体势函数,同时进行了计算机模拟。总之,所有这些都是为了从讨论水分子和离子的相互作用或三体相互作用出发,希望得到离子水化的热力学参数.本文讨论离子水化问 The interaction between ions and water is of great significance in the fields of chemistry and biology. In recent years, from the work of Geiger et al. In 1979, Monte Carlo and molecular dynamics methods have been used to simulate the ionization of water. In 1985, Lybrand and Kollman gave the multi-body potential functions of water-water and ion-water interaction, and carried out computer simulations at the same time. All in all, all of this is to discuss the thermodynamic parameters of ionic hydration from the discussion of the interaction of water molecules and ions or the interaction of three bodies.