Can liquid-liquid equilibria be predicted by the combination of a cubic equation of state and a g E model not suitable for liquid-liquid equilibria? - Université de Lorraine
Article Dans Une Revue Fluid Phase Equilibria Année : 2025

Can liquid-liquid equilibria be predicted by the combination of a cubic equation of state and a g E model not suitable for liquid-liquid equilibria?

Résumé

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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Dates et versions

hal-04752486 , version 1 (24-10-2024)

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Romain Privat, Jean-Noël Jaubert, Georgios Kontogeorgis. Can liquid-liquid equilibria be predicted by the combination of a cubic equation of state and a g E model not suitable for liquid-liquid equilibria?. Fluid Phase Equilibria, 2025, 589, pp.114249. ⟨10.1016/j.fluid.2024.114249⟩. ⟨hal-04752486⟩
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