We performed molecular dynamics computer simulations of aqueous systems under controlled stretch to study how nanobubbles appear in these systems and how they stabilize. For this purpose we simulated three types of systems: (a) pure water, (b) water at the interface with a prototype hydrophilic surface represented by a lipid membrane, and (c) water next to a hydrophobic surface. We observed a large difference in the stress-strain curve for water in the case when hydrophobic surface is present, compared to other two cases. Our simulations show that the barrier for a bubble creation at a hydrophobic surface is reduced. We also studied the importance of using a proper ensemble in simulations for the study of the bubble stability.

Molecular dynamics computer simulations study of nanobubble creation and stability

256th National Meeting (2018)

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