Hydrogen bonding and transportation properties of water confined in the single-walled carbon nanotube in the pulse-field

摘要

Graphical abstract Display Omitted Highlights ? Time-varying pulse-field hinders the movement of water in SWCNT. ? The hydrogen bonding lifetimes depend on the frequency of pulse-field. ? The pulse-field effects on water are more sensitive in one-dimensional restriction. Abstract In this paper, molecular dynamics simulations were performed to investigate the transportation and hydrogen bonding dynamics of water confined in (6, 6) single-walled carbon nanotube (SWCNT) in the absence and presence of time-dependent pulse-field. The effects of pulse-field range from microwave to ultraviolet frequency on the diffusivity and hydrogen bonding of confined water were analyzed. The significant confinement effect due to the narrow space inside SWCNT was observed. ]]>