In molecular dynamics simulations we found that water can form hydrogen-bonded water chains in the interior of carbon nanotubes. Water penetration is sensitive to details of thermodynamic conditions and interaction potentials, resulting in sharp, first-order like transitions between filled and empty states. Under wetting conditions, water molecules are transported e±ciently through nanotubes. Implications on the design of nanotube channels for small molecules and protons will be discussed.
Journal: TechConnect Briefs
Volume: 2, Technical Proceedings of the 2002 International Conference on Computational Nanoscience and Nanotechnology
Published: April 22, 2002
Pages: 124 - 127
Industry sectors: Advanced Materials & Manufacturing | Personal & Home Care, Food & Agriculture
Topics: Personal & Home Care, Food & Agriculture