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Structural effects and intermolecular interactions in homologous series of organic systems evidenced by thermodynamic properties in the frame of DISQUAC model

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

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

Editorial: Rev. Roum. Chim., 51/4, p.329-344, 2006.


The data available in the literature and our recent data on vapour–liquid equilibrium (VLE), excess Gibbs energy, GE and excess enthalpy, HE for two homologous series of organic mixtures, namely cycloalkane + n-alkylbenzene and linear ketone + chloroalkane mixtures are examined in terms of the DISQUAC group contribution model. The sets of structure-dependent DISQUAC parameters obtained by us were used to calculate the excess thermodynamic properties (GE, HE) and infinite dilution functions (ln (gamma i infinite), H i excess infinite), of selected mixtures from the two series. In our treatment we present also how the structural effects and different types of molecular interactions are reflected by the thermodynamic excess properties of the mentioned series mixtures.

Cuvinte cheie: VLE, excess molar Gibbs energy, excess molar enthalpy, cycloalkane, n-alkylbenzene, ketones, chloroalkanes, mixtures, DISQUAC modelling