Structural properties of liquid formamide - N,N-dimethylformamide mixtures

Citation
Yg. Bushuev et Am. Zaichikov, Structural properties of liquid formamide - N,N-dimethylformamide mixtures, RUSS CHEM B, 47(12), 1998, pp. 2338-2347
Citations number
18
Categorie Soggetti
Chemistry
Journal title
RUSSIAN CHEMICAL BULLETIN
ISSN journal
10665285 → ACNP
Volume
47
Issue
12
Year of publication
1998
Pages
2338 - 2347
Database
ISI
SICI code
1066-5285(199812)47:12<2338:SPOLF->2.0.ZU;2-3
Abstract
Monte Carlo simulations of formamide-N,N-dimethylformamide mixtures in the whole range of compositions were carried out at 298 K. Structural propertie s were investigated by calculating the atom-atom spatial distribution funct ions, 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 manif estation of solvophobic effects have been established.