Nanotube diameter dependency of anisotropic pressure of an ionic liquid confined in a carbon nanotube: A molecular dynamics study for [emim][PF6] case

We have presented molecular dynamics (MD) simulations of 1-ethyl-3-methylimidazolium hexafluorophosphate [emim][PF6] inside carbon nanotubes (CNTs) with different diameters. By considering the anisotropic pressure tensor for the ionic liquid inside the CNTs, the parameters of an equation of state (EoS) for the radial and axial directions have been derived. The nanotube diameter dependency of the EoS parameters has been also investigated.