Water transport mechanisms during pressure-driven transport through polyamide nanogaps

R Vickers and TM Weigand and O Coronell and CT Miller, PHYSICS OF FLUIDS, 37, 012020 (2025).

DOI: 10.1063/5.0248257

Molecular-scale simulations of pressure-driven transport through polyamide nanogaps (5-100 & Aring;) were performed to investigate fundamental transport mechanisms. Results show that transport in nanogaps <= 10 & Aring; is always subdiffusive, but superdiffusive transport was observed in nanogaps >= 20 & Aring;. Near typical operating pressures for applications ( Delta p = 100 atm), only the 100 & Aring; nanogap exhibited superdiffusive behavior. Since openings in common membrane materials are typically <20 & Aring;, results indicate that subdiffusive to diffusive transport dominates for typical applications, such as reverse osmosis.

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