2D Advances in hydrophobic hybrid-composite membranes for water desalination

In the field of nanotechnologies, two-dimensional (2D) materials are attracting interest in various areas of the scientific research, due to their peculiar and exceptional electronic capabilities [1]. Actually 2D materials are becoming promising in water treatment as well. As a part of integrated membrane processes, Membrane Crystallization (MCr) allows the recovery of valuable salts from brine [2,3]. In the recent past, atomistic simulations have provided a detailed picture of the formation of the critical nucleus of salts in supersaturated solution [5,6]. For the first time we explored the potential of 2D materials in MCr technology by theoretical-computational studies. We have obtained a molecular approach to predict the effects of 2D materials on salts nucleation and growth rate when NaCl solution approaches membrane surfaces containing 2D materials flakes - pristine PVDF, PVDF with Graphene Oxide (GO) and Graphene (G) -. Simulations have been performed using different concentrations of exfoliated 2D flakes and resembling experimental approaches. As a first output, MD simulation demonstrates how the chemical composition of the membrane surface, directs the crystallization of NaCl, resulting in different crystals size and shape.