Thermodynamics of mixtures containing a very strongly polar compound. Part II. Solid-liquid equilibria for sulfolane + nitrile systems and characterization of the sulfolane-nitrile and sulfolane-1-alkyne interactions in terms of DISQUAC

2002 ◽  
Vol 80 (5) ◽  
pp. 476-482 ◽  
Author(s):  
Urszula Domanska ◽  
Juan Antonio Gonzalez
Keyword(s):  
Thermodynamic Properties ◽  
Phase Diagrams ◽  
Dynamic Method ◽  
Excess Enthalpies ◽  
Polar Compound ◽  
Group Contribution Model ◽  
Thermodynamics Of Mixtures ◽  
Complete Set ◽  
Solid Liquid

Equilibrium temperatures for solid–liquid transitions of mixtures formed by sulfolane and ethanenitrile, propanenitrile, butanenitrile, or pentanenitrile were measured by a dynamic method. The solid–liquid equilibria phase diagrams show positive deviations from Raoult's law, except for the system with ethanenitrile, which is nearly ideal. The sulfolane–nitrile and sulfolane–1-alkyne interactions have been characterized in terms of the DISQUAC group contribution model. DISQUAC properly represents a complete set of thermodynamic properties: solid–liquid equilibria, molar excess enthalpies, and natural logarithms of activity coefficients. DISQUAC predictions are valid over a wide temperature range.Key words: solid–liquid equilibria, thermodynamics, mixtures, interactions.

Thermodynamics of mixtures containing the CO and OH groups. I. Estimation of the DISQUAC interchange coefficients for 1-alkanol + n-alkanone systems

1997 ◽  
Vol 75 (10) ◽  
pp. 1412-1423 ◽  
Author(s):  
Juan Antonio González
Keyword(s):  
Infinite Dilution ◽  
Detailed Comparison ◽  
Excess Enthalpies ◽  
Oh Groups ◽  
Molar Excess ◽  
Relative Standard ◽  
Wide Range ◽  
Different Temperatures ◽  
Group Contribution Model ◽  
Solid Liquid

1-Alkanol + n-alkanone mixtures are treated in terms of the DISQUAC group contribution model, reporting the interaction parameters for hydroxyl–carbonyl contacts. The quasichemical interchange coefficients are independent of the compounds in the mixture; the dispersive interchange coefficients depend on the intramolecular environment of the hydroxyl and (or) carbonyl groups. Mixtures of a given 1-alkanol with isomeric ketones are characterized by the same first dispersive interaction parameter, which is constant from 2-pentanone. This type of system, when including an alcohol up to 1-pentanol, needs different dispersive enthalpic parameters depending on the symmetry of the ketone. In this case, such parameters are constant from 2-pentanone or 3-pentanone. A detailed comparison is presented between DISQUAC results and data available in the literature on vapour–liquid equilibria, VLE (including azeotropic data), molar Gibbs energies, GE, molar excess enthalpies, HE, solid–liquid equilibria, SLE, natural logarithms of activity coefficients, In [Formula: see text] and partial molar excess enthalpies at infinite dilution,[Formula: see text]. For 54 systems, the mean relative standard deviation in pressure is 0.018; for 61 systems, this magnitude in the case of the HE is 0.059. It is noteworthy that the model yields good predictions over a very wide range of temperature for VLE and SLE. HE is also reasonably well represented at different temperatures. Larger discrepancies are encountered, as usual, for partial molar quantities at infinite dilution. Keywords: liquids, mixtures, thermodynamic properties, group contributions.

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