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 |
本文献已被 SpringerLink 等数据库收录! |
|