NUCLEATION IN FINITE SYSTEMS - THEORY AND COMPUTER-SIMULATION

The free energy of formation of a droplet in a finite system containing N particles in a box of volume V at a temperature T is examined. For certain values of the supersaturation the free energy of formation has a maximum and a minimum. The maximum gives rise to a barrier to nucleation whereas the minimum corresponds to the formation of a stable droplet in equilibrium with vapor. Vapor imperfection and the radius dependence of the surface tension of the droplet are shown to affect the barrier and associated cluster distributions at equilibrium in significant ways. The theory is compared with computer simulation results using a Lennard-Jones fluid at a temperature of 84 K. © 1979 D. Reidel Publishing Co.