Comparative analysis of polyamide nanofiltration membranes resistance to different acids: Insights from experiments and density functional theory simulations

Abstract

Recent research has focused on the acid resistance of polyamide nanofiltration (NF) membranes, a critical aspect for their stability during practical applications. However, the impact of different acids, particularly the role of various anions, on NF membrane acid resistance remains unexplored. Our research systematically evaluates NF membrane performance and property alterations under various acids at identical pH levels, supplemented by density functional theory (DFT) simulations. Results reveal that membranes treated with H₃PO₄ retain desirable NF performance, in stark contrast to those treated with H₂SO₄ and HCl, which undergo significant degradation. Specifically, H₃PO₄-treated membranes showed only a 4.2 % decline in Na₂SO₄ rejection, compared to a dramatic 83.3 % decline for HCl-treated membranes under identical pH. This degradation is linked to the acids infiltrating the polyamide structure. The membrane's enhanced resistance to H₃PO₄ is primarily due to the strong negative charge of phosphate ions, influenced by the Donnan effect, which prevents deep penetration into the membrane. This is further supported by DFT simulations, which reveal that the interaction energy between the membrane surface and phosphate ions is over twice as high as with chlorine ions, highlighting the importance of ion-specific interactions. This research highlights the crucial role of anions in acidic environments for the maintenance and operation of NF membranes in industrial applications. It provides key insights for enhancing membrane efficiency and longevity under acidic conditions.