Free Energy Profiles of Adsorption of Surfactant Micelles at Metal-Water Interfaces

Published: 23-03-2020| Version 1 | DOI: 10.17632/6nbtptv58c.1
Contributor:
sumit sharma

Description

Adsorption free energy profiles of cationic and uncharged surfactant micelles adsorbing on a gold-water surface.

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Steps to reproduce

We have performed umbrella sampling at different distances of the micelle from the surface. The unbiased free energy profiles are then calculated using Weighted Histogram Analysis Method.