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Self-Assembly of Surfactants and Polymorphic Transition in Nanotubes

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Department of Mechanical Engineering, Keio University, Yokohama 223-8522, Japan, and Department of Chemistry, University of Nebraska-Lincoln, Lincoln, Nebraska 68588
†Keio University.
‡University of Nebraska-Lincoln.
Cite this: J. Am. Chem. Soc. 2008, 130, 25, 7916–7920
Publication Date (Web):May 30, 2008
Copyright © 2008 American Chemical Society

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    We study self-assembly and polymorphic transitions of surfactant molecules in water within a nanotube and the effect of water−nanotube interactions on the self-assembly morphologies. We present a simulation evidence of a cornucopia of polymorphic structures of surfactant assemblies—many of which have not been observed in bulk solutions—through adjusting the water−nanotube chemical interactions which range from hydrophilic to hydroneutral and to hydrophobic. The ability to control the morphologies of surfactant assemblies within nanoscale confinement can be used for patterning the interior surface of nanochannels for application in nanofluidics and nanomedical devices.

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    Two snapshots of DPD simulation for bulk surfactant solution and the formulation to compute force between surfactant particles and the thin wall of hydrophobic nanotubes. This material is available free of charge via the Internet at

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