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Báo cáo hóa học: " Size and temperature effects on the viscosity of water inside carbon nanotubes"

Tuyển tập báo cáo các nghiên cứu khoa học quốc tế ngành hóa học dành cho các bạn yêu hóa học tham khảo đề tài: Size and temperature effects on the viscosity of water inside carbon nanotubes | Ye et al. Nanoscale Research Letters 2011 6 87 http www.nanoscalereslett.eom content 6 1 87 o Nanoscale Research Letters a SpringerOpen Journal NANO EXPRESS Open Access Size and temperature effects on the viscosity of water inside carbon nanotubes Hongfei Ye 1 Hongwu Zhang1 Zhongqiang Zhang1 2 Yonggang Zheng1 Abstract The influences of the diameter size of single-walled carbon nanotubes SWCNTs and the temperature on the viscosity of water confined in SWCNTs are investigated by an Eyring-MD molecular dynamics method. The results suggest that the relative viscosity of the confined water increases with increasing diameter and temperature whereas the size-dependent trend of the relative viscosity is almost independent of the temperature. Based on the computational results a fitting formula is proposed to calculate the size- and temperaturedependent water viscosity which is useful for the computation on the nanoflow. To demonstrate the rationality of the calculated relative viscosity the relative amount of the hydrogen bonds of water confined in SWCNTs is also computed. The results of the relative amount of the hydrogen bonds exhibit similar profiles with the curves of the relative viscosity. The present results should be instructive for understanding the coupling effect of the size and the temperature at the nanoscale. Introduction Water conduction through single-walled carbon nanotubes SWCNTs has been paid much attention in recent years 1-5 . It is a significant topic for studying and designing the nanodevices such as the nanochannel for drug delivery and the membrane for water desalination 6-8 . The previous studies have revealed that the flow behavior of water at the nanoscale strongly depends on the characteristic length of nanochannel 9-12 which implies that the classical continuum theory for the macroscopic fluid may be no longer applicable for the fluid confined in nanochannels. Hence many researches focused on the unique feature of the confined fluid and its .