Subject: Re: CCL:heterogeneous nucleation

From: [email-masked] (Paul Gregory)
Date: Thu, 6 Apr 1995 17:23:49 +22300129 (EDT)

> 
> Colleagues;
> Have any of you attempted to simulate vapor nucleation?
> Do any of you have thoughts on the topic?
> I will post a summary of any and all replies.
> --
> Sincerely, 
> Robert Miller, PhD
> Hewlett-Packard Laboratories
> e-mail: [email-masked]

I published a paper on homogeneous nucleation.  The reference is:

V.P. Gregory and J.C. Schug, "Clustering of Lennard-Jones Particles Below the
Critical Temperature", 1993, Molecular Physics, 78, 407.

The abstract follows:

    The clustering properties of sub-critical 3D Lennard-Jones particles have
been determined by Monte Carlo computer simulation.  The goal was to study
liquid formation, which results in the definition of a cluster that is based on
the radial distribution function of the LJ liquid.  The cluster distribution
was compared with that predicted by classical nucleation theory and analyzed
with the cluster distribution scaling law.  It was found that the surface
tension must vary with cluster size in order for classical theory to fit the
simulation data.  Also, the scaling law was determined to have limited
usefullness over the range of system densities and was most applicable to lower
densities and higher temperatures.  The density profile revealed that the
clusters did not have well defined surfaces and were liquid-like in the
interior.  The fractal dimension was calculated from the radius of gyration and
found to agree with the accepted value.  The presence of a phase transition was
determined from the cluster energy plots.

------------
V. Paul Gregory, PhD
Department of Chemistry                    Internet: [email-masked]
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