Stochastic computer experiments of the thermodynamic irreversibility of bulk nanobubbles in supersaturated and weak gas-liquid solutions.

Spontaneous gas-bubble nucleation in weak gas-liquid solutions has been a challenging topic in theory, experimentation, and computer simulations. In analogy with recent advances in crystallization and droplet formation studies, the diffusive-shielding stabilization and thermodynamic irreversibility of bulk nanobubble (bNB) mechanisms are revisited and deployed to characterize nucleation processes in a stochastic framework of computer experiments using the large-scale atomic/molecular massively parallel simulator code. Theoretical bases, assumptions, and limitations underlying the irreversibility hypothesis of bNBs, and their computational counterparts, are extensively described and illustrated.