Molecular-dynamics simulation of homogeneous nucleation in the vapor phase

Authors
Citation
S. Toxvaerd, Molecular-dynamics simulation of homogeneous nucleation in the vapor phase, J CHEM PHYS, 115(19), 2001, pp. 8913-8920
Citations number
35
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
115
Issue
19
Year of publication
2001
Pages
8913 - 8920
Database
ISI
SICI code
0021-9606(20011115)115:19<8913:MSOHNI>2.0.ZU;2-U
Abstract
Ten independent quenches of a gas of 40 000 Lennard-Jones particles are fol lowed until the systems exhibit droplet growth. The cluster distributions a nd the kinetics are determined for the quenched quasi-equilibrium state, at the onset of nucleation and at droplet growth. All the distributions are i somorphic with the particle distribution in the equilibrium gas state and a symptotically given by simple exponentials. The kinetics show detailed bala nce of particles and clusters which join and which leave the successful cri tical nuclei. The systems exhibit chaoticlike behavior with respect to the onset of nucleation, so that only marginal changes in a system will change the onset of nucleation. (C) 2001 American Institute of Physics.