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Evaluation of the nitro/chlorine interaction parameters in nitroalkane + 1-chloroalkane and + alpha,omega-dichloroalkane systems using Disquac group contribution model

Domenii publicaţii > Chimie + Tipuri publicaţii > Articol în volumul unei conferinţe

Autori: Teodorescu M., Marongiu B.

Editorial: Proceedings of the 18th Romanian International Conference on Chemistry and Chemical Engineering, RICCCE 18, Papers and Abstracts Book, Section 3 Physical Chemistry, Electrochemistry & Corrosion, pags S3-24 - S3-27 Bucuresti, Romania, 4-7 Septembrie, 2013.

Rezumat:

Excess Gibbs energies, GE, for ten binary systems containing nitromethane or nitroethane + 1-chlorobutane, + 1-chloropentane, + 1,2-dichloroethane, +1,3-dichloropropane, and + 1,4-dichlorobutane are interpreted in terms of the DISQUAC group contribution model. The systems are characterized by three types of contact surface: nitro (NO2), chloro (Cl) and alkane. The interchange energy parameters of the alkane/NO2 and alkane/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 report in this work. The model provides a fairly consistent thermodynamic description of the investigated mixtures

Cuvinte cheie: chloroalkane, nitroalkane, Disquac model