Liquid–liquid equilibrium data for ternary systems are scarce in literature, although they are important both for industry and simulations. Investigating ternary systems is usually costly and labor-intensive. We propose a nontraditional approach to determine liquid–liquid phase equilibrium in ternary systems. Our method generates tie line equilibrium compositional data based on a hybrid method combining traditional and noninvasive experimental procedures (cloud point titration and refractometry) and modern-day computational methodology centered on an-error-in-variables probability model. A series of Monte Carlo simulations were also conducted based on this computational methodology in order to estimate uncertainties in a mass balance numerical criterion derived from the lever rule. The results yielded by the model were validated by measuring four ternary systems containing acetonitrile, ethyl acetate, water, chloroform, ethanol, trichloroethylene, cyclohexane, and isooctane at atmospheric pressure and 294.15 K. The tie-lines for chloroform (1) + water (2) + acetonitrile (3) and cyclohexane (1) + ethyl acetate (2) + acetonitrile (3) are reported for the first time.

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三元体系中液体-液体平衡数据的便捷混合方法

尽管三元系统的液-液平衡数据对于工业和模拟都非常重要，但在文献中却很少。研究三元系统通常成本高昂且劳动强度大。我们提出了一种非传统方法来确定三元系统中的液相-液相平衡。我们的方法基于混合方法，结合传统方法和非侵入性实验程序（浊点滴定和折光法）以及以变量误差模型为中心的现代计算方法，生成联系线平衡组成数据。基于此计算方法，还进行了一系列的蒙特卡洛模拟，以便估算从杠杆法则得出的质量平衡数值标准中的不确定性。