Two-state diffusive mobility of slow and fast transport of water in narrow nanochannels

Phys Rev E. 2020 Jan;101(1-1):010101. doi: 10.1103/PhysRevE.101.010101.

Abstract

Transport of water in narrow nanochannels as a single-file chain is involved in various biological activities and nanofluidic applications. However, although the consistent dipole orientation of the water molecules is intensively studied, its effect upon the transport behavior is still unknown. In this Rapid Communication, we find two states of slow and fast transport coexist in the single-file water in the presence of channel defects that break the collective dipole orientation. A low diffusive mobility is found for the dipole orientation inconsistent configurations while mobility approximately two times higher is found for the consistent ones. The two-state diffusion process relies on the different hydrogen bond connections, which possess overlapped structures, enabling a spontaneous transition. The slow state is insensitive to the increased defect number while the fast state is reduced accordingly. The two states exhibit different lifetime and temperature dependences that demonstrate a possibility for manipulation. Our result implies the possibility of two-state diffusion process of water in nanofluid phenomena due to the common presence of defects in nanochannels.