The state of the art of cubic equations of state with temperature-dependent binary interaction coefficients: From correlation to prediction

Cubic equations of state (CEoSs) are extensively used in academia and industry for their consistency, reliability, even under extrapolation conditions, and capacity to predict phase-equilibrium and energetic properties with acceptable accuracy. The optimal parametrization of a pure-component CEoS, a...

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Bibliographic Details
Published in:Fluid phase equilibria 2023-04, Vol.567, p.113697, Article 113697
Main Authors: Privat, Romain, Jaubert, Jean-Noël
Format: Article
Language:English
Subjects:
BIP
Cubic EoS
Engineering Sciences
Group contribution
Mixing rules
Van der Waals
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Summary:Cubic equations of state (CEoSs) are extensively used in academia and industry for their consistency, reliability, even under extrapolation conditions, and capacity to predict phase-equilibrium and energetic properties with acceptable accuracy. The optimal parametrization of a pure-component CEoS, a prerequisite for the development of any CEoS for mixtures, is discussed first. The binary interaction parameter (BIP) involved in the Van der Waals mixing rules of CEoSs is introduced with special attention to the temperature-dependent functions used to express it. The following questions are addressed: what is the physical meaning of the BIP? How does this parameter reveal deviations from ideal mixtures? What are the connections between Van der Waals and advanced (EoS/gE) mixing rules? What are the best methods to correlate this parameter? How can we predict it? In conclusion, the limitations and performances of models involving Van der Waals mixing rules, including BIPs, are examined and compared to the CEoSs based on advanced mixing rules.
ISSN:0378-3812
1879-0224
DOI:10.1016/j.fluid.2022.113697