Acree W E, Rytting J H
J Pharm Sci. 1983 Mar;72(3):292-6. doi: 10.1002/jps.2600720321.
The nearly ideal binary solvent model, which has led to successful predictive equations for the partial molar Gibbs free energy of the solute in binary solvent mixtures, was extended to include molecular surface areas as weighting factors. Two additional expressions were derived and compared to previously developed equations (based on molar volumes as weighting factors) for their ability to predict anthracene and naphthalene solubilities in mixed solvents from measurements in the pure solvents. The most successful equation in terms of goodness of fit involved a surface fraction average of the excess Gibbs free energy relative to Raoult's law and predicted experimental solubilities in 25 systems with an average deviation of 1.7% and a maximum deviation of 7.5%. Two expressions approximating weighting factors with molar volumes provided accurate predictions in many of the systems studied but failed in their ability to predict anthracene solubilities in solvent mixtures containing benzene.
近乎理想的二元溶剂模型已导出了关于二元溶剂混合物中溶质的偏摩尔吉布斯自由能的成功预测方程，该模型被扩展到将分子表面积作为加权因子。推导了另外两个表达式，并与先前开发的方程（基于摩尔体积作为加权因子）进行比较，以评估它们根据纯溶剂中的测量值预测蒽和萘在混合溶剂中溶解度的能力。就拟合优度而言，最成功的方程涉及相对于拉乌尔定律的过量吉布斯自由能的表面分数平均值，该方程预测了25个体系中的实验溶解度，平均偏差为1.7%，最大偏差为7.5%。用摩尔体积近似加权因子的两个表达式在许多研究的体系中提供了准确的预测，但在预测蒽在含苯溶剂混合物中的溶解度时失败了。
