Homogeneous nucleation in vapor-liquid phase transition of Lennard-Jones fluids: a density functional theory approach.

摘要: Density functional theory (DFT) with square gradient approximation for the free energy and a model density profile are used to obtain an analytical expression size-dependent of formation liquid drop from vapor through process homogeneous nucleation, without invoking approximations in classical nucleation (CNT). The this work is not same as bulk but it corresponds minimum drop. applied study phenomena supersaturated Lennard-Jones fluid. barrier height predicted by significantly lower than CNT which rather high. at center small obtained optimization less agreement other earlier works. Also proposed sharp interface limit DFT simple modified theory, we call it, shown lead improved results.