Molecular-dynamic simulation of mixed water-methanol clusters: 3. Local energy and the work of formation

Dependences of the total and partial energies in mixed water-methanol clust ers on the size of the cluster and its overall composition were considered. Changes in the total and partial local energies in a spherical cluster wit h an increase of the alcohol molar fraction in the system were investigated . Profiles of the normal component of the pressure tensor were calculated f or all systems under investigation, and the work of the formation of mixed cluster from the vapor phase was estimated.