2 papers
cond-mat.soft2019
Water diffusion in carbon nanotubes under directional electric fields: Coupling between mobility and hydrogen bonding
Débora N. de Freitas, Bruno H. S. Mendonça, Mateus H. Köhler +4
We have investigated the diffusion and structure of TIP4P/2005 water confined in carbon nanotubes subjected to external electric fields. A wide range of diameters has been used to…
cond-mat.soft2018
Diffusion behavior of water confined in deformed carbon nanotubes
Bruno H. S. Mendonça, Débora N. de Freitas, Mateus H. Köhler +3
We use molecular dynamics simulations to study the diffusion of water inside deformed carbon nanotubes, with different degrees of eccentricity at 300K. We found a water structural…