Abstract
Mixtures formed by 1-alkanol and one strongly polar compound, nitromethane (NM), ethanenitrile (EtN), dimethyl sulfoxide (DMSO, sulfolane (SULF), nitrobenzene (NTBz) or benzonitrile (BzCN), have been investigated on the basis of a set of thermophysical data, which includes: excess molar functions, enthalpies, HmE, Gibbs energies, GmE, entropies, TSmE, isobaric heat capacities, CpmE, volumes, VmE; liquid-liquid equilibria (LLE), excess permittivies and deviations from the linearity of dynamic viscosities. In addition, calculations have been conducted to determine the Kirkwood-Buff integrals and the Kirkwood correlations factors, gK, of the investigated mixtures. In the former case, DISQUAC has been employed for modeling the needed vapour-liquid equilibria data. Many systems under consideration are characterized by dipolar interactions between like molecules and have positive values ofHmE, CpmE andTSmE. On the other hand, alkanol-solvent interactions, for mixtures with a fixed 1-alkanol, become weakened in the sequence: DMSO ≈ SULF > EtN > NM > BzCN > NTBz. In systems with a given solvent, such interactions become also weaker when the chain length of the 1-alkanol is increased. Interestingly, the considered mixtures also show strong structural effects. Results on Kirkwood-Buff integrals reveal that nitriles are more preferred than nitroalkanes around a central alcohol molecule. Calculations on gK show that, in terms of the mixture polarization, the systems are rather unstructured, and that this trend becomes more important when the 1-alkanol size increases in solutions with a given solvent.
Published Version
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