关键词: 聚酰胺膜, 改性, 分子力学, 相互作用能, 膜污染

Abstract: The molecular mechanics method was introduced in the context of seawater reverse osmosis desalination process to investigate the interaction between membrane materials and water or alginic acid in terms of the interaction energy, the probability, and the mean interaction energy of the H-bond complexes, thus providing theoretical information on the selection of chemicals in membrane modification to promote hydrophilic and antifouling properties. According to the molecular mechanics calculation, the order of mean interaction energy between membrane materials and water was PEGMA＞PA＞SPM＞AMPS, and that between these materials and alginic acid was AMPS＞PA＞SPM＞PEGMA, so PEGMA was considered as the best modification chemical among the three chemicals. Using click chemistry method, a new modified membrane MSW30 was prepared by coating 2-bilayer PEGA onto the polyamide membrane SW30. It was confirmed by contact angle measurements and fouling experiments that the modified membrane MSW30 was more hydrophilic and showed better resistance to fouling by alginic acid than the unmodified membrane SW30, which was also in agreement with the molecular mechanics calculation.

Key words: polyamide membrane, modification, molecular mechanics, interaction energy, membrane fouling