Bell, I.
, Deiters, U.
and Jaeger, A.
(2022),
An algorithm to identify vapor-liquid-liquid equilibria of binary mixtures from vapor-liquid equilibria, Industrial and Engineering Chemistry Research, [online], https://doi.org/10.1021/acs.iecr.1c04703, https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=933641
(Accessed October 13, 2025)
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An algorithm to identify vapor-liquid-liquid equilibria of binary mixtures from vapor-liquid equilibria
Published
Author(s)
, Ulrich Deiters, Andreas Jaeger
Abstract
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 the liquid–liquid equilibrium and three-phase equilibria, even when one component is supercritical. We close with the demonstration of the automatic construction of an isothermal pressure–composition figure, a capability enabled by solving for the three-phase state. The scripts in the Supporting Information demonstrate in detail how the method is applied.Citation
Industrial and Engineering Chemistry Research
Volume
61
Pub Type
Journals
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Created February 2, 2022, Updated November 29, 2022