应用离子基本参数计算离子水化各过程的相互作用能

应用离子带电荷数和离子半径等参数，计算了离子水化各过程的能量，结果表明，离子水化过程中的能量，由在离子作用下的水分子取向极化热、取向极化过程中破坏水分子的氢键所消耗的能量和离子表面径向排列的水分子之间的势能３项构成，在极化能力和极化率都较小的离子中的其计算误差，Ｌｉ＾＋为－２．９％，Ｎａ＾＋０．２％，这表明水溶液中离子的微观结构正是离子在水中的真实结构。

CALCULATI0N OF ENERGY IN EACH PROCESS OF ION HYDRATION BY ION BASIC PARAMETERS

ln this study,the hydration energy of ions,whose polarization and polarizabili-ty are small,were calculated theoretically by the use of ion basic parameters. The resuItsshow that the hydration energy consists of the energy of water directional polarization,theenergy by broken hydrogen-bonds and water potential energy of ion surface. The calcula-tion error in Li is-2.9%and in Na 0.2%,which indicates that the models are the sameas actua1 constructure and so the calculation is reliable.