Ultra-fast single-file transport of a simple liquid beyond the collective behavior zone

Abstract

We use molecular dynamics simulations to analyze the single-file transport behavior of a simple liquid through a narrow membrane channel. With the decrease of the liquid–channel interaction, the liquid flow exhibits a remarkable maximum behavior owing to the competition of liquid–liquid and liquid–channel interactions. Surprisingly, this maximum flow is coupled to a sudden reduce of the liquid occupancy, where the liquid particle is moving through the channel alone at nearly constant velocity, rather than in a collective motion mode. Further investigation on the encountered energy barrier suggests that this maximum flow should be induced by particles having large instant velocities (or thermal fluctuation) that overcome the liquid–liquid and liquid–channel interaction barriers. Further decreasing the liquid–channel interaction leads to the decrease and ultimate stabilization of the liquid flow, since the energy barrier will increase and becomes steady. These results suggest that the breakdown of collective behavior can be a new rule for achieving fast single-file transportation, especially for simple or nonpolar liquids with relatively weak liquid–liquid interactions, and is thus helpful for the design of high flux nanofluidic devices.