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Calorimetric study of the selected nitroalkane + chloroalkane binary systems. Comparison with DISQUAC predictions

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

Autori: Teodorescu M., Marongiu B., Maxia S., Piras A., Usula M., Porcedda S.

Editorial: Journal of Thermal Analysis and Calorimetry , 116, p.119-127, 2014.


Excess enthalpies, HE, at 298.15 K and atmospheric pressure determined for twelve binary liquid mixtures containing nitromethane or nitroethane + 1-chlorobutane, + 1-chloropentane, + 1-chlorohexane, + 1,2-dichloroethane, + 1,3-dichloropropane, and + 1,4-dichlorobutane by means of a flow 2277-LKB microcalorimeter, are reported on over composition range. The experimental results, along with the literature data on vapour-liquid equilibrium, VLE, excess Gibbs energies, GE, and activity coefficients at infinite dilution, are interpreted in terms of DISQUAC group contribution model. The systems are characterized by three types of contact surface: nitro (NO2), chlorine (Cl) and alkyl (CH3, CH2). The interchange energy parameters of the alkyl/NO2 and alkyl/Cl contacts were determined independently from the study of alkane + nitroalkane and alkane + chloroalkane systems. The structure-dependent interchange parameters of the NO2/Cl contact are reported in this work. The model provides a fairly consistent description of the VLE and of thermodynamic functions GE, HE, gamma i infinite, for all investigated mixtures.

Cuvinte cheie: experimental excess enthalpies, nitroalkanes, chloroalkanes, DISQUAC model