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.).

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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
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article

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

Jean‐Noël Jaubert, Romain Privat, Georgios M. Kontogeorgis
2 citations
Fluid Phase Equilibria
Phase Equilibria and Thermodynamics
0.37
article

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

Jean‐Noël Jaubert, Romain Privat, Georgios M. Kontogeorgis
article en
2 citations

Abstract

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.).

Fluid Phase EquilibriaVol. 589
Centre National de la Recherche Scientifique (FR), Laboratoire Réactions et Génie des Procédés (FR), Université de Lorraine (FR), Technical University of Denmark (DK)
Openalex Percentile: Top 43%
Phase Equilibria and Thermodynamics
0.37
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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 — Jean‐Noël Jaubert, Romain Privat, et al. · Fluid Phase Equilibria (2024) | TGRS Research Map | TGRS