Enhancing the hydrophobic effect in confined water nanodrops

Gopala Rao, Palla Venkata ; Gandhi, K. S. ; Ayappa, K. G. (2007) Enhancing the hydrophobic effect in confined water nanodrops Langmuir, 23 (26). pp. 12795-127982007. ISSN 0743-7463

Full text not available from this repository.

Official URL: http://pubs.acs.org/doi/abs/10.1021/la7022902

Related URL: http://dx.doi.org/10.1021/la7022902


The distribution of hydrophobic solutes, such as methane, enclosed in a nanosized water droplet contained in a reverse micelle of diameter 2.82 nm is investigated using Monte Carlo simulations. The effect of the hydrophobic solute's atomic diameter on the solute-solute potential of mean force is also studied. The study reveals that confinement has a strong influence on the solute's tendency to associate. The potential of mean force exhibits only a single minimum, indicating that the contact pair is the only stable configuration between solutes. The solvent-separated pair that is universally observed for small solutes in bulk water is conspicuously absent. This enhanced hydrophobic effect is attributed to the lack of sufficient water to completely hydrate and stabilize the solvent-separated configurations. The study is expected to be important in understanding the role of hydrophobic forces during protein folding and nucleation under confinement.

Item Type:Article
Source:Copyright of this article belongs to American Chemical Society.
ID Code:11545
Deposited On:16 Nov 2010 13:48
Last Modified:02 Jun 2011 04:37

Repository Staff Only: item control page