应用改进的正规溶液模型关联氨基酸在水中的溶解度

基于Flory-Huggins修正的正规溶液模型(SHFH模型)被改进用于计算氨基酸在水中的溶解度。改进后的模型将氨基酸的分子内聚能和液态摩尔体积作为可调参数，并进一步分别处理为温度的线性函数和溶剂密度的函数。对21个体系257个氨基酸溶解度数据进行了关联，总体绝对平均偏差为1.15%。计算结果表明该溶液模型形式简单, 参数容易获得，计算精度高，有望扩展到更多体系的固液平衡计算。

Correlations of aqueous solubility of amino acids by a modified regular solution model

The regular solution model with Flory-Huggins corrections (SHFH model) has been extended to calculate the aqueous solubilities of amino acids. The literature data were correlated by optimizing internal energies and molar volumes of the amino acids, which were treated as a linear function of temperature and a function of the density of water respectively in the modified model. The reported 257 experimental data for 21 systems were well correlated and the total absolute average deviation (δ_AAD) is 1.15%. The results show that the model presented is simple, with parameters that are easily obtained, and a high accuracy and it should be applicable in other solid-liquid equilibria systems. 