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Estimation of the DISQUAC interaction parameters for the cycloalkyl / phenil contact in cycloalkane + n-alkylbenzene mixtures

Domenii publicaţii > Chimie + Tipuri publicaţii > Articol în revistã ştiinţificã

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

Editorial: Rev. Roum. Chim., 46/5, p.487-495, 2001.


The literature and our data on vapour-liquid equilibria (VLE), molar excess Gibbs energies (GE), molar excess enthalpies (HE), natural logarithms of activity coefficients at infinite dilution (ln gamma i infinite), and partial molar excess enthalpies at infinite dilution (H i E,infinite) of cycloalkane + n-alkylbenzene mixtures are examined in terms of the DISQUAC group contribution model. The components of the mixtures are characterized by three types of surface: n-alkyl (CH3 or CH2 groups), cycloalkyl (c-CH2 group), and phenyl (C6H6 or C6H5 groups in benzene or alkylbenzene). The cycloalkyl/n-alkyl and phenyl/n-alkyl contact parameters are available in literature. The parameters for the cycloalkyl/phenyl interactions are reported in this paper. For twelve mixtures of cycloalkane + n-alkylbenzene investigated in this work the model provides a fairly consistent description of the experimental data.

Cuvinte cheie: DISQUAC group contribution model, cycloalkyl/phenyl contact parameters, cycloalkanes, n-alkylbenzenes