A hybrid thermodynamic and density-functional theory (DFT) for heterogeneous nucleation on mesoscopic wettable particles was developed. The system consisted of a Lennard-Jones (LJ) fluid and a 9-3 LJ wall for the solid particle. The temperature dependencies of the surface tension and the Tolman length of the liquid-vapor interface was investigated using a nonlocal weighted density approximation (WDA)-(DFT). The effects of droplet curvature and compressibility were also studied in the theory. Characteristics of heterogeneous nucleation, including chemical potential of the liquid condensate, the free energy of droplet formation and barrier height to nucleation were obtained.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry