173 citations · 2.4k across the 86 of their papers we have counts for
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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…
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…
2D nanoporous membrane for cation removal from water: effects of ionic valence, membrane hydrophobicity and pore size
Mateus Henrique Köhler, José Rafael Bordin, Marcia C. Barbosa
Using molecular dynamic simulations we show that single-layers of molybdenum disulfide (MoS) and graphene can effectively reject ions and allow high water permeability. Solutio…