Accelerating water wet-dry phase transitions in a one-dimensional carbon nanotube

Abstract

• Fast water phase transitions appear in a tandem carbon nanotube. • The occupancy and transfer rate of water molecules can be tuned by the transverse electric field. Due to the electric shielding effect, achieving water wet-dry phase transitions in a one-dimensional (1D) CNT is difficult. In this article, water properties in the tandem carbon nanotubes (TCNTs) are studied and discussed with molecular dynamics simulations. Compared with water molecules in a single CNT, water molecules in the TCNT can achieve fast wet-dry phase transitions under the transverse electric field. Water occupancy in the TCNT increases with the increase of the nanojunction under no or a weak electric field. However, water occupancy in the TCNT decreases with the increase of the nanojunction under a strong electric field. With increasing the electric field, the transfer rate through the TCNT with a large nanojunction decreases sharply, while the transfer rate through the TCNT with a small nanojunction changes slightly. The interaction between water molecules and the TCNT is adopted to explain the fast wet-dry phase transitions under the transverse electric field.