Molecular Dynamics Simulation of Nanoscale Fluid Infiltration

In the nanoscale, fluid motion is quite different from that in macroscale systems due to the high surface area to volume ratio. Nanofludics has attracted great interest due to its potential applications in a variety of systems. However, due to the small size of nanoconfinements, fluid infiltration could be a critical issue. In the nanoscale, fluid Infiltration could require an extremely high pressure due to molecular interactions between water molecules and solid atoms. Since, the friction at the water-surface interface and the surface energy of solid walls determine the infiltration of water and the temperature affects the surface properties. In this work, we explore how the temperature affects the infiltration pressure of water into nanochannels through molecular dynamics simulations. It is found that the infiltration pressure experiences a sudden drop when the temperature of the system is higher than a critical value, while the surface energy of the solid wall only affects the initial part of the infiltration. The results provide helpful information for the design of nanofluidic systems.