▎ 摘　　要

The adsorption distribution and kinetic properties of methylene blue on graphene oxide surfaces with different oxidation degrees were studied by molecular dynamics method. The adsorption process and main mechanism of methylene blue from aqueous solution to graphene oxide surface were proposed from the trajectory displacement of methylene blue, and the reasons for the adsorption stability were explained. In the adsorption process, methylene blue is mainly attracted by the electrostatic attraction of oxygen. containing functional groups on the graphene oxide surface and enters the graphene oxide surface vertically, and is concentrated on the surface of the graphene oxide in a parallel manner firstly. Methylene blue is not easily desorbed from the adsorption site of high oxidation degree graphene oxide secondly. In the adsorption equilibrium process, comparing with the low oxidation degree graphene oxide, the interaction between the high oxidation degree graphene oxide and methylene blue is enhanced and more hydrogen bonds are formed to bind the methylene blue molecules movement in the adsorption layer, so that the interface between the graphene oxide and the methylene blue solution forms a stable adsorption layer.