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Surblys, Donatas; Yamada, Taro; Thomsen, Bo; Kawakami, Tomonori; Shigemoto, Isamu; Okabe, Jun; Ogawa, Takafumi; Kimura, Masahiro; Sugita, Yuji; Yagi, Kiyoshi
Journal of membrane science, 02/2020, Letnik: 596Journal Article
Reverse osmosis membranes based on aromatic polyamide (ar-PA) are widely used in desalination of seawater, yet the microscopic mechanism of water diffusion through a polyamide layer remains elusive. Here, we study the structure and dynamics of polymer chains and water molecules in ar-PA in comparison to nylon 6 (one of aliphatic polyamides) under various water contents (0.0–15.9 wt%). The infrared (IR) difference spectrum between dry and moist ar-PA shows little change in amide A bands, in contrast to that of nylon 6 which yields a prominent dip. Theoretical analyses using molecular dynamics simulations and quantum electronic and vibrational calculations reveal that the dip in nylon 6 is caused by breaking of hydrogen bonds (HBs) among amide groups. The incoming water molecules that break amide-amide HBs are bound to polyamide chains nearby and diffuse slowly. On the other hand, the amide-amide HBs of ar-PA are kept upon hydration. Such polymer structure facilitates growth of large water clusters with more than 100 water molecules and rapid diffusion of water molecules. The amide A band serves as a fingerprint to characterize the water permeability of polyamide materials. Display omitted •A dip of amide A, present in nylon 6, disappears in RO (aromatic polyamides).•The absence indicates that amide-amide hydrogen bonds (HBs) are kept upon hydration.•The HB structure facilitates growth of water clusters and rapid water diffusion.•The amide A band is a fingerprint to probe the water permeability.
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in: SICRIS
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