TY - JOUR
T1 - The polyazeotropic behaviour of the benzene plus hexafluorobenzene system revisited
AU - Quinteros-Lama, Héctor
AU - Llovell, Fèlix
AU - Wisniak, Jaime
N1 - Publisher Copyright:
© 2017 Elsevier Ltd
PY - 2017
Y1 - 2017
N2 - Polyazeotropy is a singular and elusive phenomenon in phase equilibria limited to very few mixtures, among which the benzene plus hexafluorobenzene is the most noted. This particular system has been chosen to study the ability of the PC-SAFT, PPC-SAFT and soft-SAFT equations of state to describe the mechanisms of its phase equilibrium and the impact of specific molecular contributions such as the inclusion of a treatment for polarity. For this purpose, several parametric projections of the limiting conditions of the azeotropic phenomena, focused on the benzene plus hexafluorobenzene mixture, have been built for uncovering the limitations and capabilities of the models. The results indicate that the polar contribution is at the heart of the complex behaviour of this system and is an indispensable factor for predicting its behaviour. However, it is impossible to find a single binary interaction coefficient capable of reproducing the mechanisms of the mixture and, consequently, a temperature-dependent binary interaction parameter is required to reach the qualitative and quantitative agreement at the whole range of conditions explored. Moreover, no substantial differences are obtained regardless of the reference function and chain contribution used for building a model for this binary system.
AB - Polyazeotropy is a singular and elusive phenomenon in phase equilibria limited to very few mixtures, among which the benzene plus hexafluorobenzene is the most noted. This particular system has been chosen to study the ability of the PC-SAFT, PPC-SAFT and soft-SAFT equations of state to describe the mechanisms of its phase equilibrium and the impact of specific molecular contributions such as the inclusion of a treatment for polarity. For this purpose, several parametric projections of the limiting conditions of the azeotropic phenomena, focused on the benzene plus hexafluorobenzene mixture, have been built for uncovering the limitations and capabilities of the models. The results indicate that the polar contribution is at the heart of the complex behaviour of this system and is an indispensable factor for predicting its behaviour. However, it is impossible to find a single binary interaction coefficient capable of reproducing the mechanisms of the mixture and, consequently, a temperature-dependent binary interaction parameter is required to reach the qualitative and quantitative agreement at the whole range of conditions explored. Moreover, no substantial differences are obtained regardless of the reference function and chain contribution used for building a model for this binary system.
KW - Azeotropy
KW - Benzene
KW - Equilibrium
KW - Hexafluorobenzene
KW - Polyazeotropy
KW - SAFT
UR - http://www.scopus.com/inward/record.url?scp=85023621686&partnerID=8YFLogxK
U2 - 10.1016/j.jct.2017.07.005
DO - 10.1016/j.jct.2017.07.005
M3 - Article
AN - SCOPUS:85023621686
SN - 0021-9614
VL - 113
SP - 340
EP - 349
JO - Journal of Chemical Thermodynamics
JF - Journal of Chemical Thermodynamics
ER -