甲基叔丁基醚-丙酸-丁酸-水四元体系液液相平衡的测定与关联

Determination and Correlation of Liquid-Liquid Equilibrium of Methyl tert Butyl Ether-Propionic Acid-Butyric Acid-Water Quaternary System

二元交互作用参数是萃取分离过程模拟和设计的关键数据,它通常是通过液液相平衡测定的数据回归得到。在常压下测定了25℃时甲基叔丁基醚-丙酸-丁酸-水四元体系液液相平衡数据,用NRTL和UNIQUAC模型对所测实验数据进行热力学关联,采用Bachman、Othmer-Tobias和Hand公式验证了数据的可靠性状况,利用模拟软件回归得到二元交互作用参数。结果表明,基于NRTL和UNIQUAC模型关联计算得到的计算值与实验值吻合良好,两种模型计算的相对均方根偏差分别小于0.0122和0.0184,说明两个模型回归得到的二元交互作用参数均能对实验液液相平衡数据进行很精确地预测。

Binary interaction parameters are essential for process simulation and solvent extraction design,and they are usually obtained from regression analysis of LLE (liquid-liquid equilibrium) data. The LLE data of methyl tert butyl ether (MTBE) -propionic acid-butyric acid-water quaternary system were measured at 25℃ under atmospheric pressure. NRTL and UNIQUAC models were adopted to thermodynamically correlate the experimental data. The reliability of the experimental tie-line data was verified by Bachman, Othmer-Tobias and Hand equations, and the binary interaction parameters were calculated with simulation software. The results show that the calculated data from NRTL and UNIQUAC models are in good agreement with the measured data.The root-mean-square-deviations (RMSD) of both models are less than 0.0122 and 0.0184, respectively.Therefore, the results indicate that the binary interaction parameters can be used to predict LLE data.