Using molecular dynamics simulations, we investigate the influence of Na and Cl ions on the evaporation of nanoscale water on graphene oxide surfaces. As the concentration of NaCl increases from 0 to 1.5 M, the evapor...Using molecular dynamics simulations, we investigate the influence of Na and Cl ions on the evaporation of nanoscale water on graphene oxide surfaces. As the concentration of NaCl increases from 0 to 1.5 M, the evaporation rate shows a higher decrease on patterned graphene oxide than that on homogeneous graphene oxide.The analysis shows an obvious decrease in the evaporation rate from unoxidized regions, which can be attributed to the increased amount of Na^+ ions near the contact lines.The proximity of Na^+ significantly extends the H-bond lifetime of the outermost water molecules, which reduces the number of water molecules diffusing from the oxidized to unoxidized regions. Moreover, the effect of the ions on water evaporation is less significant when the oxidation degree varies in a certain range. Our findings advance the understanding of the evaporation process in the presence of ions and highlight the potential application of graphene oxide in achieving controllable evaporation of liquids.展开更多
基金supported by the National Natural Science Foundation of China(Nos.U1832170 and 11474299)Computer Network Information Center of Chinese Academy of Sciences
文摘Using molecular dynamics simulations, we investigate the influence of Na and Cl ions on the evaporation of nanoscale water on graphene oxide surfaces. As the concentration of NaCl increases from 0 to 1.5 M, the evaporation rate shows a higher decrease on patterned graphene oxide than that on homogeneous graphene oxide.The analysis shows an obvious decrease in the evaporation rate from unoxidized regions, which can be attributed to the increased amount of Na^+ ions near the contact lines.The proximity of Na^+ significantly extends the H-bond lifetime of the outermost water molecules, which reduces the number of water molecules diffusing from the oxidized to unoxidized regions. Moreover, the effect of the ions on water evaporation is less significant when the oxidation degree varies in a certain range. Our findings advance the understanding of the evaporation process in the presence of ions and highlight the potential application of graphene oxide in achieving controllable evaporation of liquids.
