Dynamic properties of confined water inside hydrophilic surfaces

Abstract The behavior of water and ions confined in hydrophilic surfaces is critical to drug delivery, biomolecular interactions, and desalination. Using molecular dynamics simulations, we studied water, sodium, and chloride ions in confined model environments with varying confinement interlayer distances (7 to 13 Å). The results show that water diffusion decreases with smaller confinement distances due to enhanced hydrogen bonding and restricted motion. Energetic barriers for ion movement highlight nanoscale effects, providing insights into hydration-driven material design for controlled molecular transport.