Molecular dynamics study of nucleation in supersaturated vapor of carbon dioxide

Molecular dynamics study has been carried out for nucleation in supersatura ted vapor of carbon dioxide. The molecular model is of Lennard-Jones (LJ) Coulomb type proposed by Murthy et al. [C.S. Murthy, S.F. O'Shea, I.R. McD onald, Mel. Phys. 50 (1983) 531.] and molecular dynamics simulation is with in an NEV ensemble. Detailed analyses have been performed for the cluster s ize distribution, percolation phenomena, reaction rates and equilibrium con stants of nucleation, and others. (C) 1999 Elsevier Science B.V. All rights reserved.