Confined ions and water in nanotube

In the present paper we report some results obtained in a molecular dynamics study of the electrolyte simple model confined by a flexible prismatic network of van der Waals particle. The results for densities profile and the structure, including hydration numbers, water-ion geometries, and radial distribution function, are in acceptable agreement with experimental measurements. The results obtained shows a shift to the low number of the hydrogen bond distribution of water and the ionic self-diffusion coefficients are reduced in an elastic nanopore. (C) 2004 Elsevier B.V. All rights reserved.