Molecular dynamics simulation of bulk nanobubbles

The long-term stability of nanobubbles with high internal gas pressure is a puzzling question for nanobubble researchers. classical Molecular Dynamics simulation based on LAMMPS software was used to evaluate the performance an oxygen density. This research consists two main cases. In first case, bubble behavior examined 3247 O2 molecules embedded in 4.5 nm radius spherical volume represent and surrounded by 438,490 H2O 1 g/cm3 second parametric study conducted while maintaining same parameters where amount changed at initial configuration. Hence six different configurations were simulated under temperature settings, 20 ℃ 30 ℃. Lennard Jones potentials are molecular interactions. simulations run NVT then NPT ensemble. Simulation results analyzed size, pressure, surface tension, diffusion, influence densities, concentration, conditions. concentration density causes more stable condition both ensembles. can be attributed supersaturation systems low densities transferred smaller cluster as they shifted system higher elevated pressures expansion during NPT. Under simulation, size lower temperatures. conditions, increases larger cases decreases Further increased faster leads unstable