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论文类型：期刊论文

发表时间：2011-01-17

发表刊物：Symposiumon Nanomaterials for Sensing and EnergyHarvesting Devices (Micro and Nano)

收录刊物：SCIE、EI、CPCI-S、PubMed、Scopus

卷号：6

期号：1

页面范围：87

ISSN号：1556-276X

摘要：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 temperature-dependent 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.