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Related Experiment Video

Updated: Jul 19, 2026

Exploring the Effects of Atmospheric Forcings on Evaporation: Experimental Integration of the Atmospheric Boundary Layer and Shallow Subsurface

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Published on: June 8, 2015

Hydroxyl radical at the air-water interface.

Martina Roeselová¹, John Vieceli, Liem X Dang

¹Department of Chemistry, University of California, Irvine, California 92697, USA. martina.roeselova@uochb.cas.cz

Journal of the American Chemical Society

|December 17, 2004

Summary

Hydroxyl radicals (OH) show a strong preference for the air-water interface, impacting atmospheric chemistry. This study quanties OH interaction with liquid water surfaces, crucial for aerosol and climate modeling.

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Area of Science:

Environmental Chemistry
Physical Chemistry
Atmospheric Science

Background:

Hydroxyl radicals (OH) are key oxidants in the atmosphere.
Understanding OH radical interaction with water surfaces is vital for atmospheric chemistry modeling.

Purpose of the Study:

To investigate the interaction of hydroxyl radicals with the liquid water surface.
To determine the thermal and mass accommodation coefficients of OH on liquid water.
To calculate the free energy profile for OH transfer across the air-water interface.

Main Methods:

Classical molecular dynamics computer simulations.
Analysis of scattering trajectories.
Free energy profile calculations.

Main Results:

Thermal and mass accommodation coefficients for OH on liquid water at 300 K were determined to be 0.95 and 0.83, respectively.
A free energy minimum was observed in the interfacial region, indicating OH adsorption.
The adsorption free energy (DeltaGa) is more negative than the hydration free energy (DeltaGs).

Conclusions:

Hydroxyl radicals exhibit a propensity for the air-water interface.
Enhanced OH surface concentration suggests significant interfacial chemistry.
These findings have profound implications for modeling heterogeneous atmospheric chemical processes, particularly involving water droplets and aerosols.