33 citations · 91 across the 5 of their papers we have counts for
4 papers · 1 filter
Water diffusion in carbon nanotubes: interplay between confinement, surface deformation and temperature
Bruno H. S. Mendonça, Patricia Ternes, Evy Salcedo +2
In this article we investigate through molecular dynamics simulations the diffusion behavior of the TIP4P/2005 water when confined in pristine and deformed carbon nanotubes (armcha…
Water diffusion in rough carbon nanotubes
Bruno H. S. Mendonça, Patricia Ternes, Evy Salcedo +2
We use molecular dynamics simulations to study the diffusion of water inside deformed carbon nanotubes with different degrees of deformation at 300 K. We found that the number of h…
Relation between boundary slip mechanisms and water-like fluid behavior
Patricia Ternes, Evy Salcedo, Marcia C. Barbosa
The slip of a fluid layer in contact with a solid confining surface is investigated for different temperatures and densities using molecular dynamic simulations. We show that for a…
Single-file mobility of water-like fluid in a generalized Frenkel-Kontorova model
Patricia Ternes, Alejandro Mendoza-Coto, Evy Salcedo
In this work we used a generalized Frenkel-Kontorova model to study the mobility of water molecules inside carbon nanotubes with small radius at low temperatures. Our simulations s…