20 citations · 20 across the 4 of their papers we have counts for
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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…
Molecular Dynamics Simulations of Water Anchored in Multi-Layered Nanoporous MoS Membranes: Implications for Desalination
João P. K. Abal, Rodrigo F. Dillenburg, Mateus H. Köhler +1
One of the most promising applications in nanoscience is the design of new materials to improve water permeability and selectivity of nanoporous membranes. Understanding the molecu…
Water permeability in nanopores: when size, shape, and charge matter
João P. K. Abal, Marcia C. Barbosa
Nanoscale materials are a promising desalination technology. While fast water flow in nanotubes is well understood, this is not the case for water permeability in single-layer memb…
Salt parameterization can drastically affect the results from classical atomistic simulations of water desalination by MoS nanopores
João P. K. Abal, José Rafael Bordin, Marcia C. Barbosa
Water scarcity is a reality in our world, and scenarios predicted by leading scientists in this area indicate that it will worsen in the next decades. However, new technologies bas…