Molecular simulation of geometrically optimized polyoxymethylene/poly (vinylalcohol) gel membrane for electroless scrubbing Ni(II) ions

Abstract

Perilous nickel ions are purged by polyoxymethylene/poly(vinylalcohol) (POM/PVA) gel membrane, miscibility parameters of which were optimised by computer-aided Accelrys Materials Studio that simulate compatibility of POM/PVA blending. Electroless scrubbing of Ni(II) ions was analysed economically by experimentally assessing the effects of pH, initial ion concentration, temperature and contact time which showed superior 95% adsorption and maximum adsorption capacity 475 mg/g after 7 days of optimum adsorption compared to 21.2% and 42.4 mg/g on unmodified POM thin film at neutral pH proving favouritism for membrane. Characterisation using FT-IR spectrum analysis and FESEM surface morphology advocated immense increment in adsorption efficiency. Adsorption study insinuated that Temkin's isotherm model and pseudo second order kinetic model best fit the adsorption process, while thermodynamic studies revealed spontaneity of adsorbing Ni(II) ions which were 90% recovered by 0.2 M HNO3 in 30 min saturation time. & © 2015 Elsevier Ltd. All rights reserved.