Simulating the fast transport of water through carbon nanotubes

Non-equilibrium molecular dynamics simulations are performed to investigate water transport through (7,7) CNTs and to examine how changing the CNT length affects the flow dynamics. We show that fluid flow rates are well in advance of continuum expectations and that this flow enhancement increases with increasing CNT length. This enhancement is related to the internal fluid structure. Water molecules form a tightly packed cylindrical shell inside (7,7) CNTs, with densities nearly 3.5 times that of the water reservoir