异丙叉丙酮萃取水中甲酚的液液相平衡测定与模型关联

Measurement and Models Correlation of Liquid-liquid Equilibrium on Extraction Cresols from Water with Mesityl Oxide

由液液相平衡(LLE)测定数据回归得到的二元交互作用参数是准确进行萃取脱酚及溶剂回收过程模拟的基础数据。针对溶剂萃取废水处理中甲酚过程,测定了25和50℃下异丙叉丙酮-邻(间、对)甲酚-水三元液液相平衡数据。采用Hand方程和Othmer-Tobias方程对实验数据的可靠性进行检验,由图可看出拟合效果优异,具有良好的可靠性。而后采用非随机双液模型(NRTL)和通用准化学模型(UNIQUAC)对测定数据进行拟合回归,获得相应的二元交互作用参数。通过计算实验数据和模型数据的均方根误差(RMSE),发现两种模型对实验数据均能进行精确关联,RMSE均低于0.01443%。为了预测其他温度下的LLE值,利用四参数的NRTL模型进行回归,发现RMSE最大只有0.01208%,小于单温度NRTL模型RMSE值。

The binary interaction energy parameters regressed from liquid-liquid equilibrium(LLE)data are essential for accurate simulation on phenols extraction and solvent recovery.Aiming at the process of solvent extraction of cresol in wastewater treatment,LLE data of mesityl oxide-o-(m-,p-)cresol-water was determined at 25 and 50℃.The reliability of the measured LLE data was tested by Hand and Othmer-Tobias equations.It can be seen from the figure that the fitting result is excellent and the data has good reliability.The binary interaction energy parameters were obtained by using the non-random two liquid(NRTL)model and universal quasi-chemical(UNIQUAC)model to regress the experimental LLE data.The relative root mean square errors(RMSE)calculated from experimental data and simulation data are both less than 0.01443%,which demonstrate both models could precisely relate with the measured data.In order to predict the LLE values at other temperatures,a four-parameter NRTL model was used for regression.It is found that the largest RMSE value is only 0.01208%,which is smaller than the RMSE value of the single-temperature NRTL model.