NUMERICAL MODELING OF SUPERSATURATED VAPOR CONDENSATION .2. KINETIC-PROPERTIES OF NEW-PHASE NUCLEI - DETERMINATION OF THE HOMOGENEOUS NUCLEATION RATE

Homogeneous nucleation of supersaturated vapor is studied by the isoth ermal molecular dynamics (MD) method. Numerical calculations are perfo rmed for a three-dimensional ensemble of particles with a Lennard-Jone s interaction potential, open stochastic boundary conditions are emplo yed, The nucleation kinetics is investigated, the evaporation and cond ensation rates are calculated for clusters arising in supersaturated s ystems. These data are used to calculate the rate of homogeneous nucle ation. The contribution to the nucleation rate of evaporation and atta chment of dimers to clusters is estimated, The results are compared wi th calculations by the classical nucleation theory.