Hydrogen-bond dynamics near a micellar surface: Origin of the universal slow relaxation at complex aqueous interfaces

Balasubramanian, Sundaram and Pal, Subrata and Bagchi, Biman (2002) Hydrogen-bond dynamics near a micellar surface: Origin of the universal slow relaxation at complex aqueous interfaces. In: Physical Review Letters, 89 (11). p. 115505.

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Abstract

The dynamics of hydrogen bonds among water molecules themselves and with the polar head groups (PHG) at a micellar surface have been investigated by long molecular dynamics simulations. The lifetime of the hydrogen bond between a PHG and a water molecule is found to be much longer than that between any two water molecules, and is likely to be a general feature of hydrophilic surfaces of organized assemblies. Analyses of individual water trajectories suggest that water molecules can remain bound to the micellar surface for more than 100 ps. The activation energy for such a transition from the bound to a free state for the water molecules is estimated to be about 3.5 kcal/mol.

Item Type:	Journal Article
Publication:	Physical Review Letters
Publisher:	The American Physical Society
Additional Information:	Copyright of this article belongs to The American Physical Society.
Department/Centre:	Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited:	19 Jul 2011 05:23
Last Modified:	19 Jul 2011 05:23
URI:	http://eprints.iisc.ac.in/id/eprint/39234

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