Molecular-dynamic simulation of mixed water-methanol clusters: 1. Local structure

Clusters of the water-methanol mixtures of various compositions containing different numbers of molecules were investigated by computer simulation. Ra dial profiles of the local partial density and the local composition demons trating the distribution of the components in the spherically symmetric sys tems were obtained. The orientation distribution functions of molecules ove r the directions of the dipole moment and valence bonds in molecules charac terizing the most probable orientation of molecules in the surface layer of the mixture were calculated.