  Fully atomistic molecular dynamics simulations were carried out to
investigate how a liquid-like water droplet behaves when into contact with a
nanopore formed by carbon nanotube arrays. We have considered different tube
arrays, varying the spacing between them, as well as, different chemical
functionalizations on the uncapped nanotubes. Our results show that simple
functionalizations (for instance, hydrogen ones) allow tuning up the wetting
surface properties increasing the permeation of liquid inside the nanopore. For
functionalizations that increase the surface hydrophilicity, even when the pore
size is significantly increased the droplet remains at the surface without tube
permeation.
