(148c) Nucleation for Confined Lennard-Jones Fluid by Density Functional Theory
AIChE Annual Meeting
2005
2005 Annual Meeting
Engineering Sciences and Fundamentals
Poster Session: Thermodynamics and Transport Properties
Monday, October 31, 2005 - 6:00pm to 8:30pm
A non-mean field density functional theory (DFT) is proposed for nucleation in confined fluids. The excess Helmholtz free energy functional is formulated in terms of a modified fundamental measure theory for short ranged repulsion and a density-gradient expansion for long ranged attractions. Analytical expression for the direct correlation function of Lennard-Jones fluid is utilized to take into account the effect of long ranged attraction on intermolecular correlations. The nucleation properties for confined Lennard-Jones fluid, including density profile, work of formation, number of particles and the nucleation rate in a wide range of temperatures are investigated. The effect of external potential upon the nucleation properties in confined fluids is discussed.