The behaviour of water and sodium chloride solution confined into asbestos nanotube

• Published in: Molecular physics Vol. 114; no. 15; pp. 2279 - 2288
• Main Authors: Fomin, Yu. D., Ryzhov, V. N., Tsiok, E. N.
• Format: Journal Article
• Language: English
• Published: Abingdon Taylor & Francis 02-08-2016; Taylor & Francis Ltd
• Subjects: 61.20.Gy; 61.20.Ne; 64.60.Kw; aqueous solution; Aqueous solutions; Asbestos; asbestos nanotube; Confined water; Maxima; Molecular physics; Molecular structure; Nanostructure; Order disorder; Sodium; Sodium chloride; Water chemistry
• ISSN: 0026-8976; 1362-3028
• DOI: 10.1080/00268976.2016.1196833

We present the molecular simulation study of the behaviour of water and sodium chloride solution confined in lizardite asbestos nanotube which is a typical example of hydrophilic confinement. The local structure and orientational and dynamic properties are studied. It is shown that at low enough temperatures there is a well-defined orientational ordering of the water molecules. At high local densities corresponding to the maxima of the density distribution function, the water molecules are oriented parallel to the axis of the tube. It is also shown that the diffusion coefficient drops about two orders of magnitude comparing to the bulk case. The behaviour of sodium chloride solutions is also considered and the formation of double layer is observed.