Scaling behaviour for the water transport in nanoconfined geometries

Eliodoro Chiavazzo, Matteo Fasano, Pietro Asinari, Paolo Decuzzi

Research output: Contribution to journalArticlepeer-review

106 Scopus citations

Abstract

The transport of water in nanoconfined geometries is different from bulk phase and has tremendous implications in nanotechnology and biotechnology. Here molecular dynamics is used to compute the self-diffusion coefficient D of water within nanopores, around nanoparticles, carbon nanotubes and proteins. For almost 60 different cases, D is found to scale linearly with the sole parameter θ as D(θ)=D B [1+(D C /D B 1)θ ], with D B and D C the bulk and totally confined diffusion of water, respectively. The parameter θ is primarily influenced by geometry and represents the ratio between the confined and total water volumes. The D(θ) relationship is interpreted within the thermodynamics of supercooled water. As an example, such relationship is shown to accurately predict the relaxometric response of contrast agents for magnetic resonance imaging. The D(θ) relationship can help in interpreting the transport of water molecules under nanoconfined conditions and tailoring nanostructures with precise modulation of water mobility.

Original languageEnglish (US)
Article number3565
JournalNature Communications
Volume5
DOIs
StatePublished - Apr 3 2014

ASJC Scopus subject areas

  • Chemistry(all)
  • Biochemistry, Genetics and Molecular Biology(all)
  • Physics and Astronomy(all)

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