Precise intermolecular force modulation enables ultra-selective and superfast water transport across polyamide membranes

JL He and JS Wu and XB Tian and H Zhang and YJ Liu and QY Wang, JOURNAL OF MATERIALS CHEMISTRY A, 13, 27425-27445 (2025).

DOI: 10.1039/d5ta01241d

Molecular nano-architecture enables selective chemical interactions and efficient separation based on size and charge species. However, effectively separating size-similar, uncharged aqueous contaminants remains a significant challenge. Herein, we propose a precise intermolecular force regulation strategy for efficient separation of similarly sized, uncharged, water-soluble small molecules using nanoporous polyamide membranes with tunable pore chemistry. Molecular dynamics and density functional theory simulations demonstrate that regulation by pore-wall molecular forces-assisted by pore size-can effectively differentiate water-pore wall-solute interaction forces, simultaneously achieving triple effects: decisively reduced water-pore wall friction, capably enhanced solute-pore wall friction, and competently discriminated water-solute interactions. Ultimately, pore wall molecular force regulation unlocks remarkable selective transport performance in water-solute separation, delivering an extraordinary 90-fold increase in selectivity alongside nearly a 10-fold enhancement in water permeance, all without sacrificing efficiency. These investigations offer substantial potential for energy-efficient water treatment and small molecular sieving applications, where achieving high permselectivity is crucial for optimal operational efficiency.

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