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Fluid Phase Equilibria, Vol.142, No.1-2, 1-14, 1998
Steric and inductive effects in binary mixtures of alkanones with benzene or tetrachloromethane. Comparison with DISQUAC predictions
Literature data on molar excess enthalpies (H-E), molar excess Gibbs energies (G(E)) and activity coefficients at infinite dilution (gamma(i)(infinity)) of linear alkanones + benzene or tetrachloromethane are treated in the framework of DISQUAC, an extended group contribution model. The systems are characterized by three types of contact surfaces : carbonyl (CO group), alkane (CH3 or CH2 groups) and solvent (benzene, C6H6, or tetrachloromethane, CCl4, groups). The interchange energies parameters of the alkane/CO and alkane/sorvent contacts were determined previously, the interaction parameters of the CO/solvent contacts are reported in this work. The quasi-chemical and dispersive parameters depend on the environment of the CO group. The model provides a fairly consistent description of the experimental data as a function of concentration. The solutions of alkanones in benzene or tetrachloromethane exhibit the features of polar solute + polarizable solvent mixtures, namely, the deviations from ideality are much less positive than in alkanes and may even be negative.
Keywords:GAS-LIQUID-CHROMATOGRAPHY;LIMITING ACTIVITY-COEFFICIENTS;EXCESS-ENTHALPIES;+ BENZENE;THERMODYNAMIC PROPERTIES;MOLECULAR-INTERACTIONS;INFINITE DILUTION;ORGANIC MIXTURES;EQUILIBRIA;SOLVENTS