Generalization of the Wong-Sandler mixing rule to a generic cubic equation of state: Examples of use for systems of industrial interest (Hydrogen, CCUS, refrigeration)

• Published in: The Journal of supercritical fluids 2024-10, Vol.212, p.106336, Article 106336
• Main Authors: Chabab, Salaheddine, Coquelet, Christophe, Rivollet, Fabien
• Format: Article
• Language: English
• Subjects: CCUS; Critical locus; Density; Engineering Sciences; Hydrogen; Phase Equilibria; Refrigerent
• ISSN: 0896-8446
• DOI: 10.1016/j.supflu.2024.106336

Cubic equations of state (EoS) remain the most widely used models in chemical engineering, and their predictive capabilities are highly dependent on mixing rules (MR). Considered as one of the most accurate, Wong Sandler's (WS) MR, have been generalized in this work, to allow its use with all 2-parameter (PR, SRK, …) and 3-parameter (PT, mPT, NEOS, …) cubic EoSs. The procedure for implementing the generalized WS MR is presented and tested with PR, PT and its variants (mPT and NEOS) on vapor-liquid equilibrium (VLE) and density data on various classes of mixtures for different types of use (hydrogen, CCUS, refrigeration). The results clearly show the benefits of this type of MR, especially around the critical point and for density data without considering volume translation frequently used with PR and SRK EoS. [Display omitted] •Wong-Sandler mixing rules has been generalized (g-WS MR) and validated against existing versions (PR and PT EoSs).•The implementation procedure of g-WS MR is presented.•3-parameter EoSs (NEOS, PT and mPT) were tested with g-WS MR for different applications (refrigeration, oil&gas, H2, CCUS).•Excellent results are obtained with g-WS MR, in particular the prediction of the critical locus and supercritical densities.•The g-WS MR can be easily implemented in existing process simulators and thermodynamic calculation software.