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

Research output: Contribution to journalResearch articleContributedpeer-review

Contributors

  • Ian H. Bell - , National Institute of Standards and Technology (NIST) (Author)
  • Ulrich K. Deiters - , University of Cologne (Author)
  • Andreas Jäger - , Chair of Thermal Power Machinery and Plants, TUD Dresden University of Technology (Author)

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.

Details

Original languageEnglish
Pages (from-to)2592-2599
Number of pages8
JournalIndustrial and Engineering Chemistry Research
Volume61
Issue number6
Publication statusPublished - 16 Feb 2022
Peer-reviewedYes

External IDs

ORCID /0000-0001-7908-4160/work/168204408