Wei Ning, Peng Xinsheng, Xu Zhiping
Applied Mechanics Laboratory, Department of Engineering Mechanics, Center for Nano and Micro Mechanics, Tsinghua University, Beijing 100084, China.
Department of Materials Science and Engineering, State Key Laboratory of Silicon Materials, Zhejiang University, Hangzhou 310028, China.
Phys Rev E Stat Nonlin Soft Matter Phys. 2014 Jan;89(1):012113. doi: 10.1103/PhysRevE.89.012113. Epub 2014 Jan 13.
Fast slip flow was identified for water inside the interlayer gallery between graphene layers or carbon nanotubes. We report here that this significant flow rate enhancement (over two orders) breaks down with the presence of chemical functionalization and relaxation of nanoconfinement in graphene oxides. Molecular dynamics simulation results show that hydrodynamics applies in this circumstance, even at length scales down to nanometers. However, corrections to the slip boundary condition and apparent viscosity of nanoconfined flow must be included to make quantitative predictions. These results were discussed with the structural characteristics of liquid water and hydrogen-bond networks.
在石墨烯层或碳纳米管之间的层间通道内,水呈现出快速滑移流。我们在此报告,这种显著的流速增强(超过两个数量级)在存在化学官能化和氧化石墨烯中纳米限域弛豫的情况下会失效。分子动力学模拟结果表明,即使在低至纳米的长度尺度下,流体动力学在这种情况下依然适用。然而,必须纳入对纳米限域流的滑移边界条件和表观粘度的修正,以便进行定量预测。这些结果结合液态水和氢键网络的结构特征进行了讨论。