Effect of Structure and Hydration Level on Water Diffusion in Chitosan Membranes

Abstract Bioprotonic devices show promise for medicinal/therapeutic treatments because of their ability to deliver a controlled flow small molecules and ions living organisms. These rely on biocompatible, conductive polymer membranes facilitate molecular/ionic transport. Herein, ab initio molecular dynamics simulations are used probe the effects structure hydration level water diffusion in chitosan‐based membranes. The coefficient is shown be highest with low overall densities weak non‐covalent interactions. Insight from these results may aid optimizing transport properties bioprotonic applications.