Diffusion behavior of water confined in deformed carbon nanotubes

29 Nov 2018 Mendonça Bruno H. S. de Freitas Débora N. Köhler Mateus H. Batista Ronaldo J. C. Barbosa Marcia C. de Oliveira Alan B.

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 transition between tubular-like to single-file for the (7,7) nanotubes associated with a change from a high to low mobility regimes... (read more)

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  • SOFT CONDENSED MATTER