Fast phase transition of water molecules in a defective carbon nanotube under an electric field

摘要

We utilize molecular dynamics simulations to study the effect of an electric field on the permeation of water molecules through a defective single-walled carbon nanotube (DSWCNT). Compared with a perfect single-walled carbon nanotube (PSWCNT), the behaviors of water molecules respond more quickly under the same electric field in a DSWCNT. Wet-dry phase transition of water molecules occurs when the electric field reaches 0.32 Vm, which is much lower than the case of the PSWCNT. Besides, the critical electric field is affected by the number of defects. These results pave a way for designing fast wet-dry transition devices and provide a new insight into water permeation through a defective nanochannel.