Generation and Evolution of Nanobubbles on Heated Nanoparticles: A Molecular Dynamics Study.

Molecular dynamics simulations were conducted to investigate the generation and evolution of nanobubbles on heated gold-like nanoparticles (GNPs). The effects of surface wettability (β) and heating intensity () of the GNPs are studied. We found that nanobubbles are generated faster on the superhydrophobic GNP than on the superhydrophilic GNP where nanobubble formation appears after a delay. In the case of the superhydrophilic GNP, the nanobubble is observed to grow explosively because it is initially generated at a distance from the GNP surface instead of on its surface. In the case of the superhydrophobic GNP, the faster generation of the nanobubble is promoted by the larger temperature difference between the GNP and the surrounding fluid and an ultrathin low-density layer that exists before the GNP is heated. For a given β, faster generation and growth of nanobubbles are observed with increasing . Furthermore, the maximum radius of the nanobubble is found to be dependent on β and not . The mechanism is elaborated based on the thermal resistance analysis at the melting point of GNPs. Additionally, it was found that there exists a threshold for nanobubble generation and the threshold value for the case of the superhydrophobic GNP is lower than that for the case of the superhydrophilic GNP. The present results have demonstrated that the superhydrophobic GNP is favorable for fast and energy-saving nanobubble generation. Our work provides further understanding in the generation and evolution of nanobubbles and potentially offers a new insight for nanobubble manipulation.