Theory and simulations of water flow through carbon nanotubes: prospects and pitfalls.

Journal article

We study water flow through carbon nanotubes using continuum theory and molecular dynamics simulations. The large slip length in carbon nanotubes greatly enhances the pumping and electrokinetic energy conversion efficiency. In the absence of mobile charges, however, the electro-osmotic flow vanishes. Uncharged nanotubes filled with pure water can therefore not be used as electric field-driven pumps, contrary to some recently ventured ideas. This is in agreement with results from a generalized...

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Authors: Bonthuis, D; Rinne, K; Falk, K; Nadir Kaplan, C; Horinek, D

• Journal: Journal of physics. Condensed matter : an Institute of Physics journal
• Volume: 23
• Issue: 18
• Pages: 184110
• Publication date: 2011-05-01
• DOI: 10.1088/0953-8984/23/18/184110
• EISSN: 1361-648X
• ISSN: 0953-8984
• Language: English
• Keywords: Time Factors; Pressure; Osmosis; Models, Statistical; Nanotubes, Carbon; Electrochemistry; Kinetics; Nanotechnology; Molecular Conformation; Biophysics; Computer Simulation; Water; Algorithms