How alginate monomers contribute to organic fouling on polyamide membrane surfaces?

Abstract

Organic fouling of polyamide membrane surfaces with alginate molecules in an aqueous solution is studied through computer molecular simulations. Here, we focus on the molecular binding properties of β-d-mannuronic acid (M) and α-l-guluronic acid (G) alginate monomers on a polyamide membrane surface. Free energy calculations show that M alginate monomers exhibit significant hydrophobic attractions with certain types of benzene ring units in a polyamide chain, though such hydrophobic interactions are not as strong as the ionic bridge binding between the M monomer and the carboxylate group on a polyamide membrane surface. This is in contrast to the fouling behavior of G alginate monomers to which such hydrophobic interactions with a membrane surface do not exist, and the organic fouling is largely attributed to the ionic bridge binding between the G monomer and polyamide carboxylate groups mediated by divalent metal ions. Molecular dynamics simulations of different alginate oligomers near a polyamide surface show that hydrophobic interactions between the M-containing oligomers and polyamide membrane surface result in a much shorter pathway of fouling than that of pure G-oligomers. These hydrophobic interactions, together with the mobility of M monomers on a polyamide chain surface, further reduce the docking time of M-containing oligomers compared to pure G-oligomers, and thus enhance the surface fouling.