The behaviour of water on the surface of kaolinite with an oscillating electric field

摘要

A quantitative understanding of oscillating electric field effects on the behaviour of water on the surface of kaolinite is vital for research in the field of clay-water systems. The behaviour of water molecules on the (0 0 1) and (0 0 -1) surfaces of kaolinite are systematically investigated in the absence or presence of an oscillating electric field using molecular dynamics simulations. The simulated results demonstrate that the applied oscillating electric fields parallel to kaolinite surface contribute to decreased amounts of adsorbed water molecules on the (0 0 1) surface of kaolinite. The oscillating electric field performs an inconspicuous effect on the adsorption of water on the (0 0 -1) surface of kaolinite. The behaviour of water on the surface of kaolinite will be impacted more severely by oscillating electric fields. Our results demonstrate that water molecules will rotate following the directions of the applied fields, which causes the decrease of hydrogen bonds, and thus, the weaker water-kaolinite interactions due to the applied field drive water molecules away from kaolinite surfaces. These results are of significance to understand the mechanisms of the oscillating electric fields affecting the behaviour of clay-water systems.