浸润性对单壁碳纳米管动力学行为的影响.pdfVIP

中国科技论文在线 The effect of wettability on the dynamical behaviors of single-walled carbon nanotube# ** 5 YAN Yan, WANG Wenquan (Department of Engineering Mechanics, Kunming University of Science and Technology, Kunming 650500, Yunnan, China) Abstract: The dynamical behaviors of single-walled carbon nanotube (SWCNT) with the internal and external wettability are studied based on a multiple flexible shell model in the paper. The 10 SWCNT-water system comprises five constituent parts, i.e., the SWCNT, the absorbed inner and outer layers of water molecules, the water in the center of the SWCNT and the water surrounding the absorbed outer water layer. Here we consider the absorbed water layers as infinitesimally thin shells, which interact with the nanotube via a continuum Lennard-Jones potential and find that the interactions of SWCNT and the water layer are responsible for an upshift in the frequency of the SWCNT and the 15 total upshift is approximately the sum of the two corresponding upshifts. The vdW interactions also cause the increase of the frequency of internal and external water shells. As we all know, the wettability is highly relevant with the use of CNTs in nanofluidics devices, so the effects of local environment on the dynamical behaviors of CNTs should be lucubrated. We hope that the paper can offer a new modeling approach to determine whether carbon nanotubes have adsorbed fluids inside