INVESTIGATION ON EFFICIENCY OF WATER TRANSPORT THROUGH SINGLE-WALLED CARBON NANOTUBES
Based on the concept of an energy pump, the transportation of water molecules in a carbon nanotube (CNT) is studied by performing molecular dynamics simulations. The influences of CNT pre-twist angle, temperature, CNT channel length and water mass on energy pump efficiency are investigated. The transportation of one water molecule in a (8, 0) CNT can be described in three stages based on the pretwist angle: the non-transport stage (between 0 to 65 degrees), the non-monotonous transport stage (between 65.1 to 80 degrees) and the linear-increasing stage (between 80 to 180 degrees). The transport efficiency of water molecules was found to change with temperatures and channel restraint conditions. In a (8, 0) restrained CNT the maximum resultant force and resultant velocity increases with increasing temperature within a range of 1 K to 3 000 K. For a (8, 8) unrestrained CNT, a water molecule was found to be non-transportable beyond 300 K. Three CNT channel lengths are compared with a length of 19.80 run identified as the fastest and most efficient transporter. Transporting 20 water molecules in a (8,8) CNT was determined to not be possible due to great fluctuations of the CNT wall and large friction forces between water molecules and the CNT wall.
Water transportation carbon nanotubes buckling molecular dynamic simulations
M.Z.Sun W.H.Duan M.Dowman
Department of Civil Engineering, Monash University, Clayton, Victoria 3800, Australia
国际会议
The IJSSD Symposium 2012 on Progress in Structural Stability and Dynamics(2012国际结构稳定与动力学进展会议)
南京
英文
140-150
2012-04-14（万方平台首次上网日期，不代表论文的发表时间）