LAUSR

This study describes the absorption of methamidophos (MMP) from aqueous solution by crosslinked poly(vinyl alcohol) (PVA) hydrogel synthesized using malic acid (MA) as a crosslinker (CLPHMA). The prepared hydrogels were characterized by FTIR spectroscopy, scanning electron microscopy, and the thermal properties were studied by using thermal gravimetric analysis. Also, the swelling index as a function of PVA:MA composition and pH were studied. An in silico rational study, which involved all-atom molecular dynamics simulations of PVA:MA systems in proportions 10:2, 10:4, and 10:6 was performed. The in silico studies concluded that the more suitable crosslinking degree for MMP pesticide removal is with the 20% (wt %) of crosslinker (CLPHMA-20). The experimental analysis of MMP removal with CLPHMA was performed as well. It was found that the prepared CLPHMA-20 had a great efficiency to recover around 86% of MMP from their solutions. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 135, 45964.