Analytical density functional theory of homogeneous vapor condensation

Citation
L. Granasy et al., Analytical density functional theory of homogeneous vapor condensation, PHYS REV E, 62(5), 2000, pp. 7486-7489
Citations number
33
Categorie Soggetti
Physics
Journal title
PHYSICAL REVIEW E
ISSN journal
1063651X → ACNP
Volume
62
Issue
5
Year of publication
2000
Part
B
Pages
7486 - 7489
Database
ISI
SICI code
1063-651X(200011)62:5<7486:ADFTOH>2.0.ZU;2-7
Abstract
Starting from an exact gradient transcription of the perturbative density f unctional theory of homogeneous vapor condensation, we propose an analytica l approximation that reproduces the density profile and free energy of crit ical fluctuations to high accuracy. For a broad variety of substances, incl uding nonpolar, weakly polar, and metallic liquids, the method predicts nuc leation rates that are orders of magnitude closer to experiment than those from the classical approach. The present treatment incorporates detailed mo lecular theory into macroscopic modeling.