Computational Chemistry Study on the Correlation Between Microscopic Interactions and Fouling Phenomena : Comparison Between Poly (2–methoxyethyl acrylate) and Polyzwitterions

Abstract

Elucidating the fouling phenomena on polymeric biomaterial surfaces promotes the development of antifouling membrane materials. Recently, we have investigated the microscopic mechanisms of the excellent antifouling properties of nonionic poly(2–methoxyethyl acrylate) (PMEA) and zwitterionic betaine polymers by using molecular dynamics simulations. Here, we evaluated the interactions between the side chains of polymers and model organic foulants. We clarified that the suppression of the hydrophobic interactions is essential for enhancing antifouling properties. We believe that our studies contribute to the molecular design of polymeric membrane materials with excellent antifouling properties.