| This dissertation focuses on a computational simulation study on the organic fouling mechanisms of reverse osmosis and nanofiltration (RO/NF) membranes, which have been widely used in industry for water purification. The research shows that through establishing a realistic computational model based on available experimental data, we are able to develop a deep understanding of membrane fouling mechanism. This knowledge is critical for providing a strategic plan for membrane experimental community and RO/NF industry for further improvements in membrane technology for water treatment.;This dissertation focuses on three major research components (1) Development of the realistic molecular models, which could well represent the membrane surface properties; (2) Investigation of the interactions between the membrane surface and foulants by steered molecular dynamics simulations, in order to determine the major factors that contribute to surface fouling; and (3) Studies of the interactions between the surface-modified membranes (polyethylene glycol) to provide strategies for antifouling. |
