摘要
本文改进了 Abraham 等人的计算方法,应用定标粒子理论(SPT)计算了10种1价离子在12种溶剂中的标准溶剂化自由能ΔG_S^(?).计算结果与前人的观测值吻合得较好.
Our paper improves the calculation approach de- veloped by Abraham and co-workers by calculating the standard solvation free energy △G_S^(?) of several ions in a series of solvents with the Scaled Particle Theory(SPT).The calculation results have a good accordance with those rcportcd in literatures.
关键词
离子
溶剂化
自由能
定标粒子理论
solvation
free energy
calculation
scaled partical theory
