Phys. Rev. B 76, 195403 (2007) [7 pages]Water confined in nanopores: Spontaneous formation of microcavitiesReceived 16 January 2007; revised 14 April 2007; published 6 November 2007 Molecular dynamics simulations of water confined in nanometer sized, hydrophobic channels show that water forms localized cavities for pore diameter ≳2.0 nm. The cavities present nonspherical shape and lay preferentially adjacent to the confining wall inducing a peculiar form to the liquid exposed surface. The regime of localized cavitation appears to be correlated with the formation of a vapor layer, as predicted by the Lum, Chandler and Weeks J. Phys. Chem. B 103 4570 (1999), implying partial filling of the pore. © 2007 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.76.195403
DOI:
10.1103/PhysRevB.76.195403
PACS:
64.70.Nd
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