Journal of Chemical & Engineering Data 2018, 63 Correlations Based on Solute Molecular Properties. Peng–Robinson Equation of State Model for Polycyclic Aromatic Hydrocarbons and Long-Chain Hydrocarbons Solubilities in Supercritical Fluids. Journal of Chemical & Engineering Data 2019, 64 Liquid–Liquid Equilibrium of the Ternary System sec-Butyl Acetate + sec-Butyl Alcohol + Ethylene Glycol at 298.2, 308.2, and 318.2 K. Xuemei Zhang, Xiaojie Yang, Xin Hao, Chungui Jian.Journal of Chemical & Engineering Data 2021, 66 Measurements and Thermodynamic Modeling of Liquid–Liquid Equilibrium Data for 2-Methyl-2-Butanol + Water + Ethylbenzene. Xuemei Zhang, Chungui Jian, Jianting Du, Hongwei Wang, Wangxin Kong, Junwei Chen, Guangjin Shangguan, Meifang Xia, Huangpeng Lu.This article is cited by 87 publications. In all of the examples, solutions for the entire phase diagram were found without fail, and certain problems that are difficult or impossible to solve using other methods were modeled successfully. Solutions can be found with sufficient speed for interactive design and modeling. The method has been implemented and tested on a variety of problems with three and four components and up to three liquid phases. This provides a global consistency check on the numerical results that is independent of the specific model or parameters used to describe the mixture. For ternary mixtures, it is shown that stationary points in the tangent plane distance function satisfy a global topological constraint N max + N min − N sad = 1 where N max is the number of maxima, N min is the number of minima, and N sad is the number of saddles. This relies on the geometric properties of the tangent plane distance function but is independent of the specific fluid model. The main improvement is a result of a new approach for locating the stationary points of the tangent plane distance function. The algorithm is self-starting and significantly improves the reliability and robustness of multiphase equilibrium calculations. A global algorithm for implementing the Gibbs tangent plane stability test in multicomponent, multiphase liquid mixtures is described.
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