TITLE

Molecular dynamics studies of evaporation and condensation coefficients in nucleation theory

AUTHOR(S)
Schaaf, P.; Senger, B.; Voegel, J.-C.; Bowles, R. K.; Reiss, H.
PUB. DATE
August 2000
SOURCE
AIP Conference Proceedings;2000, Vol. 534 Issue 1, p23
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
A rate theory that accounts for multimolecular addition or loss of molecules from a cluster is developed for the homogeneous nucleation of a liquid from its metastable vapor. Molecular dynamics simulations of Lennard-Jones argon are used to study the evaporation coefficients of Stillinger type clusters. It is shown that steps involving the gain or loss of 2 or 3 atoms at a time make a significant contribution to the dynamics of cluster growth and that these multimolecular steps obey detailed balance. Studies of the lagtime, which to a first approximation should be related to the nucleation rate, shows that ln(t[sub 70]) is proportional to l/ln²(S), as predicted by classical nucleation theory.
ACCESSION #
5669786

 

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