STRUCTURAL-PROPERTIES OF DILUTE AQUEOUS-SOLUTIONS OF DIMETHYLFORMAMIDE AND ACETONE BASED ON COMPUTER-SIMULATION

The Monte Carlo simulation of molecular configurations for aqueous sol utions of N,N-dimethylformamide and acetone was carried out. The atom- atom radial distribution functions were determined. The topological pr operties of the I-I-bond system were investigated. The concentrations of closed H-bond cycles and the radial distribution functions of their geometric centers were found. It was shown that the local arrangement of molecules and supermolecular assemblies typical of the I-I-bond ne twork in neat water is retained in the solutions studied.