Flocculation treatment processes play an important role in water and wastewater pretreatment.Here we investigate experimentally and theoretically the possibility of using graphene oxide (GO) as a soiebiologique.com flocculant to remove methylene blue (MB) from water.Experimental results show that GO can remove almost all MB from aqueous solutions at its optimal dosages and molecular dynamics simulations indicate that MB cations quickly congregate around GO in water.Furthermore, PIXEL energy contribution analysis reveals that most of the strong interactions between GO and MB are of a van der Waals (London dispersion) character.These results offer new insights for shedding light on the molecular mechanism of click here interaction between GO and organic pollutants.