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

Abstract : 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.
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Submitted on : Tuesday, October 25, 2016 - 3:37:47 PM
Last modification on : Monday, March 29, 2021 - 4:06:43 PM

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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, Elsevier, 2017, 73, pp.65-90. ⟨10.1016/j.ijrefrig.2016.09.013⟩. ⟨hal-01387444⟩

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