Pressure-driven water flow through carbon nanotubes: Insights from molecular dynamics simulation

Pressure-driven water flow through carbon nanotubes (CNTs) is examined using molecular dynamics simulation. The results are compared to reported experimental flow rate measurements through similarly sized CNTs and larger carbon nanopipes. By using molecular dynamics simulation to predict the variation of water viscosity and slip length with CNT diameter, we find that flow through CNTs with diameters as small as 1.66 nm can be fully understood using continuum fluid mechanics. Potential mechanisms to explain the differences between the flow rates predicted from simulation and those measured in experiments are identified and discussed.