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

Published: 23 March 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.

Institutions

Ohio University

Categories

Molecular Dynamics Simulations of Surface Phenomena, Molecular Simulation

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