33 citations · 58 across the 7 of their papers we have counts for
4 papers · 1 filter
Influence of carbon nanocone structure on ultra-efficient water flow
Bruno H. S. Mendonça, Elizane E. de Moraes, João P. K. Abal +3
In this study, using nonequilibrium molecular dynamics simulation, the water flow in carbon nanocones is studied using the TIP4P/2005 rigid water model. The results demonstrate a n…
Water diffusion in carbon nanotubes for rigid and flexible models
Bruno H. S. Mendonça, Elizane E. de Moraes, Ronaldo J. C. Batista +3
We compared the diffusion of water confined in armchair and zigzag carbon nanotubes for rigid and flexible water models. Using one rigid model, TIP4P/2005, and two flexible models,…
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…