THERMODYNAMIC PROPERTIES OF NANODROPS. MOLECULAR DYNAMICS SIMULATIONS

The results of the structural and thermodynamic properties simulations of the nanodrops, which emerge on the first stage of nanoparticle formation process by supersaturated vapor condensation, are presented. The density profiles, the IrvingKirkwood pressure tensors, the chemical potentials of the systems, the equimolar radii of the drops and the radii of tension, the mechanical and thermodynamic surface tensions have been calculated. It is shown that both the mechanical and thermodynamic surface tensions decrease with the decrease of the equimolar radius of the drop, and reach zero at the same