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Structural properties of liquid formamide—N,N-dimethylformamide mixtures
Authors:Yu. G. Bushuev  A. M. Zaichikov
Affiliation:(1) Ivanovo State Academy of Chemical Technology, 7 prosp. F. Engel'sa, 153460 Ivanovo, Russian Federation
Abstract:Monte Carlo simulations of formamide—N,N-dimethylforamide mixtures in the whole range of compositions were carried out at 298 K. Structural properties were investigated by calculating the atom-atom spatial distribution functions, generalized spatial distribution functions, concentrations of closed cycles of H-bonds, and other properties of the system of hydrogen bonds. It was found that local spatial regions with the structure of pure components are conserved in a wide range of concentrations. The regularities of manifestation of solvophobic effects have been established. Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 12, pp. 2421–2429, December, 1998.
Keywords:organic solvents  binary mixtures  amides  formamide   N,N-dimethylformamide  structure of liquid  intermolecular interactions  hydrogen bonds  computer simulation of liquids  Monte Carlo method
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