A study on the gas film formation in electrochemical discharging processes by molecular dynamics simulation

Abstract

Molecular Dynamics (MD) simulations have emerged as a potent analytical tool for dissecting the intricate processes involved in nano gas film bubble generation. This study employs MD simulations to identify critical voltage that marks the transition from bubble saturation to gas film formation, while employing a mimic electrolysis model to expedite simulations through accelerated molecular insert rates. The simulations provide insights into underlying mechanisms, revealing the reforming and condensing dynamics of gas structures preceding gas film genesis. Experimental validation corroborates the accuracy of critical voltage predictions derived from MD simulations, with the close alignment between simulated critical points and experimental outcomes underscoring the robust predictive capability of MD simulations in elucidating electrochemical discharging (ECD) processes.