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Measurement and prediction of solubility of paracetamol in water-isopropanol solution. Part 2. Prediction

机译:对乙酰氨基酚在水-异丙醇溶液中的溶解度的测量和预测。第2部分。预测

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The solubility of paracetamol in water-isopropanol mixtures at 30 degrees C using the regular-solution theory, the UNIFAC model, and the UNIQUAC model is predicted and compared with the corresponding experimental values reported in part A of this study. The results of the ideal solubility show that Delta c(p) should be integrated with respect to differential molar heat capacity changes with temperature, if sub-cooled liquid heat capacity is approximated by liquid heat capacity. The modified regular-solution theory underestimates the solubility, whereas the UNIFAC model overestimates it. The UNIQUAC model results in the best predictions. However, various vapor-liquid equilibrium data sets to calculate the UNIQUAC solvent-solvent adjustable parameters result in different accuracies.
机译:使用常规溶液理论,UNIFAC模型和UNIQUAC模型,在30摄氏度下对乙酰氨基酚在水-异丙醇混合物中的溶解度进行了预测,并与本研究A部分中报道的相应实验值进行了比较。理想溶解度的结果表明,如果过冷的液体热容量可以用液体热容量来近似,则Δc(p)应针对摩尔摩尔热容量随温度的变化进行积分。修改后的规则解理论低估了溶解度,而UNIFAC模型则高估了溶解度。 UNIQUAC模型可得出最佳预测。但是,用于计算UNIQUAC溶剂-溶剂可调参数的各种气液平衡数据集会产生不同的精度。

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