Y. Bushuev, A. M. Zaichikov
Dec 1, 1998
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Journal
Russian Chemical Bulletin
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.