Science. 1991 Mar 15;251(4999):1323-30. doi: 10.1126/science.251.4999.1323.
The thermodynamics and statistical mechanics of solubility are fairly well understood. It is still very difficult, however, to make quantitative predictions of solubility for real systems from first principles. The purposes of this article are to present the results of solubility experiments in some prototype solute-solvent systems, to show how far they may be understood from molecular first principles, and to discuss some of the things that are still missing. The main systems used as examples have the inert gas xenon as solute and some simple organic liquids as solvents.
溶解度的热力学和统计力学已经得到了很好的理解。然而，要从第一原理定量预测真实体系的溶解度仍然非常困难。本文的目的是介绍一些原型溶质-溶剂体系中的溶解度实验结果，展示从分子第一原理上可以在多大程度上理解这些结果，并讨论一些仍然缺失的内容。主要使用的例子系统是惰性气体氙作为溶质和一些简单的有机液体作为溶剂。
