PNNL

Abstract

In this study, we used molecular dynamic (MD) simulations of the rupture process for a water film to define and determine the critical rupture time (CRT). This new approach could be an important method for authentically defining and determining the rupture point of a water film and associated phenomena. We were able to generically predict the CRT and the critical thickness of the water film. Then, we studied the effect of ions on the film rupture process. Our results showed that addition of sodium chloride did not significantly affect on the stability of the water film. Results from MD simulations, when compared with results from experimental measurements, can provide insights into the film rupture process. This work was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.