scholarly journals Prediction of thermal properties of ternary systems of 2,2ʹoxybis[propane]+ benzene, toluene, cyclohexane or n-heptane

2013 ◽  
Vol 3 ◽  
pp. 01043
Author(s):  
S. Didaoui ◽  
A. Ait-Kaci
1984 ◽  
Vol 49 (5) ◽  
pp. 1240-1246
Author(s):  
Tomáš Boublík

Ternary equilibrium diagrams in the n-hexane-cyclohexane-benzene system at temperature 298.15 K and n-hexane-benzene-toluene system at pressure 101.325 kPa were determined from the BACK equation of state. In the course of the determination of excess thermodynamic functions of mixtures the values of the BACK equation parameters for pure compounds and binary interactions parameters, ki,j, adjusted to GE and HE of the corresponding binaries were employed. The comparison of theoretical and experimental data shows very good quality of the prediction of the equilibrium behaviour of polycomponent systems from the BACK equation of state.


2005 ◽  
Vol 83 (10) ◽  
pp. 1812-1825 ◽  
Author(s):  
Juan Antonio González ◽  
Ismael Mozo ◽  
Isaías García de la Fuente ◽  
José Carlos Cobos

Binary mixtures of aniline with benzene, toluene, alkane, alkanol, or N,N-dialkylamide have been investigated in the framework of the DISQUAC model. The reported interaction parameters change regularly with the molecular structure of the mixture components. The model consistently describes a set of thermodynamic properties including liquid–liquid equilibria, vapor–liquid equilibria, and molar excess enthalpies. The two latter properties for ternary systems are well-represented by DISQUAC using binary parameters only (i.e., neglecting ternary interactions). A comparison of DISQUAC results and those obtained from the UNIFAC (Dortmund version) and ERAS models is also shown. The experimental molar excess enthalpies for binary and ternary mixtures are better described by DISQUAC than by UNIFAC. ERAS fails when representing molar excess enthalpies of those binary systems including methanol or ethanol. This may be due to the existence of strong dipolar interactions among aniline molecules as well as to effects related to the equation of state term, evaluated comparing molar excess enthalpies, and molar excess internal energies at constant volume. The study of the aniline systems in terms of the concentration–concentration structure factor also underlines the importance of dipolar interactions in solutions with alkanes or alcohols, which may be due to the high polarizability of the aniline molecule.Key words: thermodynamics, mixtures, aniline, dipolar interactions, structural effects.


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