화학공학소재연구정보센터
Fluid Phase Equilibria, Vol.224, No.2, 169-183, 2004
Thermodynamics of liquid mixtures containing a very strongly polar compound - Part 6. DISQUAC characterization of N,N-dialkylamides
Systems of N,Ndi(n-alkylamides) (hereafter, N,N-dialkylamides) with alkane, benzene, toluene, 1-alkanol or 1-alkyne have been investigated in the framework of the DISQUAC model. The corresponding interaction parameters are reported. They change regularly with the molecular structure of the mixture components. This variation is similar to those encountered when treating other systems in terms of DISQUAC. The model describes consistently a whole set of thermodynamic properties: liquid-liquid equilibria (LLE), vapor-liquid equilibria (VLE), solid-liquid equilibria (SLE), molar excess Gibbs energies (G(E)), molar excess enthalpies (H-E), molar excess heat capacities at constant pressure (C-P(E)), partial molar excess properties at infinite dilution, enthalpies and heat capacities. The model also provides good results for the Kirkwood-Buff integrals and for the linear coefficients of preferential solvation. For ternary systems, DISQUAC predictions on VLE and HE, obtained using binary parameters only, are in good agreement with the experimental data. A short comparison between DISQUAC and Dortmund UNIFAC results is shown. DISQUAC improves UNIFAC results on H-E and C-P(E), magnitudes which strongly depend on the molecular structure. The investigated mixtures behave similarly to those characterized by thermodynamic properties which arise from dipolar interactions. Association/solvation effects do not play, as a whole, an important role in the studied systems. This may explain that the ERAS model fails when representing the thermodynamic properties of dimethy/formamide + 1-alkanol mixtures. (C) 2004 Elsevier B.V. All rights reserved.