Fluid phase equilibria prediction of fluorocompound-containing binary systems with the predictive E-PPR78 model

Jun-Wei Qian (1) , Romain Privat (1) , Jean-Noël Jaubert (1) , Christophe Coquelet (2) , Deresh Ramjugernath (3)

1 LRGP - Laboratoire Réactions et Génie des Procédés
2 CTP - Centre Thermodynamique des Procédés
3 Thermodynamics Research Unit

In order to reduce the overall emissions of greenhouse gases and to be in compliance with the current environmental regulations, a new class of refrigerants, making use of fluorocompounds has appeared. Such refrigerants are often blends of alkanes, CO 2 and fluorocompounds. Consequently an equation of state (EoS) able to predict the properties of both pure compounds and multi-component systems is required to design processes involving fluorocompounds or to implement a product-design approach aimed at identifying new refrigerant mixtures. It is however well-acknowledged that the phase behavior of binary systems like, e.g., an alkane and its corresponding perfluoroalkane, show significant deviations from ideality that need to be accurately accounted for by a thermodynamic model. In this study, in order to get a predictive model applicable to fluorocompound-containing binary systems, six groups were added to the Enhanced-PPR78 model which combines the Peng-Robinson EoS and a group contribution method aimed at estimating the binary interaction parameters, () ij kT, involved in Van der Waals one-fluid mixing rules.

Mots clés: equation of state; PPR78; vapor-liquid equilibrium; predictive model; binary interaction parameters; fluorocompound; critical locus; azeotropy

Domaines: Génie des procédés

Jun-Wei Qian, Romain Privat, Jean-Noël Jaubert, Christophe Coquelet, Deresh Ramjugernath. Fluid phase equilibria prediction of fluorocompound-containing binary systems with the predictive E-PPR78 model . International Journal of Refrigeration, 2017, 73, pp.65-90. ⟨10.1016/j.ijrefrig.2016.09.013⟩. ⟨hal-01387444⟩