An unusual behavior of liquid acetonitrile inside carbon nanotubes was predicted by molecular dynamics simulations. In contrast to water, which exhibited inhomogeneous variation of both translational and rotational diffusion with nanotube diameter, the diffusion coefficient of acetonitrile changed uniformly and could be described by a simple analytical model. At the same time, the reorientation dynamics of acetonitrile varied irregularly in smaller nanotubes because of specific packing structures.

Uniform Diffusion of Acetonitrile inside Carbon Nanotubes Favors Supercapacitor Performance. O.N.Kalugin, V.V.Chaban, V.V.Loskutov, O.V.Prezhdo: Nano Letters, 2008, 8[8], 2126-30