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纳米尺度范围内流道分子结构形成的粗糙度将会影响其中的流体流动。本文采用分子动力学方法,以氩为工质,模拟了不同手性的单壁碳纳米管(SWCNT)内流体的流动。结果表明:由于范德瓦耳斯力的作用,流体分子与壁而间有一定的距离。可以看出在壁面附近有两个明显的分层,这是纳米流动中持有的流体密度分层现象。由于不同手性碳纳米管的分子排列具有旋转对称性,故对密度分布影响较小。在质量力驱动下,流体在SWCNT内呈现为典型的栓塞流。锯齿型SWCNT壁面对流体的阻力大于椅型SWCNT。
The roughness formed by the molecular structure of the flow channel in the nanometer scale will affect the fluid flow therein. In this paper, we use molecular dynamics method to simulate the flow of fluid in single-walled carbon nanotubes (SWCNTs) with different chirality using argon as working substance. The results show that due to the van der Waals forces, there is a certain distance between the fluid molecules and the wall. It can be seen that there are two distinct delamination near the wall, which is the stratification of the fluid density held in the nanofluids. Due to the rotational symmetry of the molecular arrangement of different chiral CNTs, the density distribution is less affected. Driven by mass force, the fluid appears as a typical plug flow within the SWCNT. Zigzag SWCNT wall has greater resistance to fluid than chair type SWCNTs.