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Using molecular dynamic simulations we show that single-layers of molybdenumdisulfide (MoS$_2$) and graphene can effectively reject ions and allow highwater permeability. Solutions of water and three cations with different valence(Na$^+$, Zn$^{2+}$ and Fe$^{3+}$) were investigated in the presence of the twotypes of membranes and the results indicate a high dependence of the ionrejection on the cation charge. The associative characteristic of ferricchloride leads to a high rate of ion rejection by both nanopores, while themonovalent sodium chloride induces lower rejection rates. Particularly, MoS$_2$shows 100\% of Fe$^{3+}$ rejection for all pore sizes and applied pressures. Onthe other hand, the water permeation did not varies with the cation valence,having dependence only with the nanopore geometric and chemical characteristic.This study helps to understand the fluid transport through nanoporous membrane,essential for the development of new technologies for pollutants removal fromwater.

2D nanoporous membrane for cation removal from water: effects of ionic valence, membrane hydrophobicity and pore size