Estimation of the DISQUAC interaction parameters for linear ketone + chloroalkane mixtures

摘要

The data available in the literature and our data on vapour-liquid equilibria (VLE), molar excess Cibbs energies (G~E) and molar excess enthalpies (H~E) of linear ketone + chloroalkane mixtures are examined in terms of the DISQUAC group contribulion model. The treatment of the experimental data was performed taking into account the expected structural effects. It was found that the quasichemical term for the contact C =O / Cl in the ketone + (a,ω)-dichloroalkane systems is not negligible. The DISQUAC dispersive C =O / Cl parameters in these systems were evaluated from the data on ketone + 1-chloroalkane systems. The best description of experimental data for the mixtures with 1-chloroalkane, trichloromethane, 1,1,1-trichloroethane, tetrachloromethane and 1,1,2,2-tetrachloroethane is provided using only dispersive contribution. Using the estimated DISQUAC parameters the VIE, C~E, and H~E data were calculated and compared with experimental data . The rules between the DISQUAC interchange C=O / Cl parameters and the chloroalkane or ketone length were established.