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Algorithm to Identify Vapor–Liquid–Liquid Equilibria of Binary Mixtures from Vapor–Liquid Equilibria

In this work we demonstrate that tracing the vapor-liquid equilibria for binary mixtures also includes all the information needed to obtain the three-phase-line if one is present. This simple observation serves as a launching point for calculation of liquid-liquid equilibrium and three-phase equilibria, even when one component is supercritical. We close with the demon-stration of the automatic construction of an isothermal pressure-composition figure, a capa-bility enabled by solving for the three-phase state. Examples in the Python programming language demonstrate in detail how the method is applied.