UNDERSTANDING SALINE WATER DROPLET-MEMBRANE SURFACE INTERACTION USING MOLECULAR DYNAMICS SIMULATIONS

In this work, we utilize molecular dynamics (MD) simulations to investigate the interfacial characteristics of water droplet on a membrane surface. The MD approach allows us to probe the system dynamics and identify the fundamental mechanisms that govern the surface interactions at various conditions. Through simulating the droplet deposition process at thermodynamic equilibrium, we gain a comprehensive understanding of the interactions between the water droplet and the membrane surface at the atomic level. At different levels of water droplet salinity, results showed the strong influence of droplet salinity on surface tension and thus on wettability. Specifically, increasing salt concentration to brine water level was found to increase both droplet contact angle and droplet height by 49% and 62%, respectively, indicating reduced surface hydrophilicity. These simulations provide valuable insight into the complex interactions of multicomponent water mixtures, with potential implications in the fields of membrane technology and water purification.