An analysis on heterogeneous bubble nucleation around a nanoparticle based on density functional approach

Density functional analyses are performed to study bubble nucleation around a nanoparticle submerged in a supersaturated LJ/s fluid in this paper. Two heterogeneous nucleation modes, i.e. core-shell mode and spherical cap mode, are considered. The minimal free energy path (MFEP) of these two nucleation modes are obtained. Effects of particle wettability and supersaturation of the bulk liquid on heterogeneous nucleation are studied. It is found that the energy barrier of the spherical cap mode nucleation is lower than that of core-shell mode nucleation. However, the difference between energy barriers of the two heterogeneous nucleation modes approaches zero when the particle becomes strongly solvophobic. The disappearance of nucleation barrier is observed for strongly solvophobic particles at high supersaturation.