(181x) Compatible Zwitterion-PVDF Membrane Designs

The Zwitterionic-PVDF (ZW-PVDF) membranes have drawn much attention because of the promising performance of Zwitterionic polymer with respect to pH responsive, reducing metal ion adsorption, and significantly enhancing membrane hydrophilicity and membrane fouling resistance. In this study, density-functional theory (DFT) was used to simulate several modification designs of PVDF with compatible Zwitterionic polymer side chain. The mechanism of water transport inside these ZW-PVDF membranes was extensively investigated. Furthermore, MD simulation results showed enhanced water transport though hydrogen bonding and interactions between water molecules and ZW function groups at different alignments.