Can liquid-liquid equilibria be predicted by the combination of a cubic equation of state and a <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si63.svg"><mml:msup><mml:mrow><mml:mi mathvariant="bold-italic">g</mml:mi></mml:mrow><mml
In modern versions of cubic equations of state (EoS), the mixing rules for EoS parameters are derived from an activity coefficient model using either the Huron-Vidal or the Zero Reference Pressure (ZRP) approach. As it is a fact that Wilson's activity coefficient model cannot predict liquid-liquid equilibria (LLE), this article attempts to answer the question: if Wilson's model is coupled with a cubic EoS, is the resulting model capable of predicting LLE? This question is actually becoming increasingly important as recent EoS rely on such a coupling (e.g., the tc-PR EoS). We show that although Wilson's model is mathematically unable to predict instable liquid phases, this is not true for Wilson-EoS models (i.e., EoS incorporating Wilson's model). However, it is also shown that the capacity of Wilson-EoS to predict LLE depends not only on the approach chosen (Huron-Vidal or ZRP) but also on mixture characteristics (such as the ratio of covolumes, the ratio of critical attractive parameters, the binary interaction parameters etc.).
Authors
- Jean‐Noël Jaubert (ORCID: https://orcid.org/0000-0001-7831-5684)
- Romain Privat (ORCID: https://orcid.org/0000-0001-6174-9160)
- Georgios M. Kontogeorgis (ORCID: https://orcid.org/0000-0002-7128-1511)
Institutions
- Centre National de la Recherche Scientifique (FR)
- Laboratoire Réactions et Génie des Procédés (FR)
- Université de Lorraine (FR)
- Technical University of Denmark (DK)
Publication Details
- Journal
- Fluid Phase Equilibria
- Published
- 2024-10-12
- DOI
- https://doi.org/10.1016/j.fluid.2024.114249
- Citations
- 2
- Primary Topic
- Phase Equilibria and Thermodynamics
- Type
- article
- Field-Weighted Citation Impact
- 0.37