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cond-mat.soft2025
Local ion environment in polyamide membranes revealed by molecular dynamics
Nathanael S. Schwindt, Anthony P. Straub, Michael F. Toney +1
In reverse osmosis (RO) and nanofiltration (NF) membranes, the polymer structure and interactions with solvent and solutes dictate the permeability and selectivity. However, these…
cond-mat.mes-hall2025★ 2 cited
Molecular details and free energy barriers of ion de-coordination at elevated salinity and pressure and their consequences for membrane separations
Nathanael S. Schwindt, Razi Epsztein, Anthony P. Straub +2
Ion dehydration has been hypothesized to strongly influence separation performance in membrane systems and ion transport in nanoscale channels. However, the molecular details of io…