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Estimation of the Disquac Interaction parameters for linear ketones + chloroalkane mixtures

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Autori: Dragoescu D., Teodorescu M., Barhala A.

Editorial: Proceeding Physical Chemistry, Biochemical and Chemical Engineering of the 12th Romanian International Conference on Chemistry and Chemical Engineering, RICCCE 12, September 13-15, Bucharest, Romania, p.38-43, 2001.


The data available in the literature and our data on vapour-liquid equilibria (VLE), molar excess Gibbs energies (GE) and molar excess enthalpies (HE) of linear ketone + chloroalkane mixtures are examined in terms of the DISQUAC group contribution 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,w)-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 VLE, GE, and HE 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.

Cuvinte cheie: Ketones; Chloroalkanes; DISQUAC parameters