Fluorine-functionalized nanoporous graphene as an effective membrane for water desalination

摘要: Most water in the world is as saline seas and oceans. Desalination technology a promising method to solve global crisis. Recently, many attentions have been paid graphene-based membranes desalination due their low production cost high efficiency. In this paper, molecular dynamics simulations are employed investigate effect of functionalized graphene nanosheet (GNS) on performance salt separation from seawater terms permeability rejection. For purpose, hydrogenated (–H) fluorinated (–F) pores were created GNS membrane. Then, membrane was placed middle simulation box an aqueous ionic solution containing Na+ Cl− ions. The applied pressure (in range 10–100 MPa) used driving force for transport molecules across reverse osmosis (RO) order obtain Also, radial distribution functions (RDFs) ion–water water–water well density map around obtained. results indicated that hydrophilic chemical such fluorine can improve at pressures.