MOLECULAR DYNAMICS SIMULATION OF NANO CHANNEL AS NANOPUMPS

摘要

We use three-dimensional molecular dynamics simulation to investigate the driven flow between two parallel plates separated by argon atoms. Our simulations show that fluids in such channels can be continuously driven. Difference in surface wettability can cause a difference in fluid density along the nano channel. To control the nanochannel temperature walls, we use the thermal wall idea, which models the walls using atoms connected to their original positions by enforcing linear spring forces. In this study, we propose a nanochannel system in which, half of the channel has a low surface wettability, while the other half has a higher surface wettability and that the middle part of channel wall has a high temperature. In another test case, we study a channel with a high temperature at one side of channel and impose a low temperature at the other side. Imposing a high temperature at the middle of nanochannel breaks the molecular force balances and a driven flow is formed in the channel due to the difference in fluid density. Also, imposing a temperature gradient at the walls causes a momentum difference between the atoms on the opposite sides of channel, which is a reason for driving flow through the channel. We use these molecular dynamics tools to achieve better volumetric results in the nanochannel.