The
polyamide (PA) nanofiltration (NF) membrane has the potential
to remove endocrine-disrupting compounds (EDCs) from water and wastewater
to prevent risks to both the aquatic ecosystem and human health. However,
our understanding of the EDC removal–water permeance trade-off
by the PA NF membrane is still limited, although the salt selectivity–water
permeance trade-off has been well illustrated. This constrains the
precise design of a high-performance membrane for removing EDCs. In
this study, we manipulated the PA nanostructures of NF membranes by
altering piperazine (PIP) monomer concentrations during the interfacial
polymerization (IP) process. The upper bound coefficient for EDC selectivity–water
permeance was demonstrated to be more than two magnitudes lower than
that for salt selectivity–water permeance. Such variations
were derived from the different membrane–solute interactions,
in which the water/EDC selectivity was determined by the combined
effects of steric exclusion and the hydrophobic interaction, while
the electrostatic interaction and steric exclusion played crucial
roles in water/salt selectivity. We further highlighted the role of
the pore number and residual groups during the transport of EDC molecules
across the PA membrane via molecular dynamics (MD) simulations. Fewer
pores decreased the transport channels, and the existence of residual
groups might cause steric hindrance and dynamic disturbance to EDC
transport inside the membrane. This study elucidated the trade-off
phenomenon and mechanisms between EDC selectivity and water permeance,
providing a theoretical reference for the precise design of PA NF
membranes for effective removal of EDCs in water reuse.