Molecular Dynamics Simulations of Nanobubbles Formation Near the Substrate in a Liquid With Dissolved Gas Available to Purchase

Nanobubbles appearing on the interface between liquid and the hydrophobic substrate play an important role in various natural and industrial processes. The current study presents the MD simulations of surface nanobubbles on the liquid-solid interface, where the liquid phase consists of argon and dissolved neon, while the gaseous phase consists of neon and argon vapor. The interactions between all the particles are determined by the Lennard-Jones potential. The contact angle is studied as a function of the Lennard-Jones parameters for the liquid-solid and gas-solid interactions. Moreover, the influence of gas concentration on the system behavior is studied. The simulations are performed for the systems of tens nm in size, which contain up to 8 million molecules. The computations are accelerated using modern computational methods and algorithms as well as using high-performance hardware such as graphic processors.