화학공학소재연구정보센터
Chemical Physics Letters, Vol.686, 173-177, 2017
Hydrogen bonding and transportation properties of water confined in the single-walled carbon nanotube in the pulse-field
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. (C) 2017 Published by Elsevier B.V.