Hydroxyl radical at the air-water interface.

Hydroxyl radical at the air-water interface. Research Abstract Details 

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Hydroxyl radical at the air-water interface. Abstract Text:

Martina ,John Vieceli,Liem X Dang,Bruce C Garrett,Douglas J Tobias,

Interaction of the hydroxyl radical with the liquid water surface was studied using classical molecular dynamics computer simulations. From a series of scattering trajectories, the thermal and mass accommodation coefficients of OH on liquid water at 300 K were determined to be 0.95 and 0.83, respectively. The calculated free energy profile for transfer of OH across the air-water interface at 300 K exhibits a minimum in the interfacial region, with the free energy of adsorbtion (DeltaGa) being about 1 kcal/mol more negative than the hydration free energy (DeltaGs). The propensity of the hydroxyl radical for the air-water interface manifests itself in partitioning of OH radicals between the bulk water and the surface. The enhancement of the surface concentration of OH relative to its concentration in the aqueous phase suggests that important OH chemistry may be occurring in the interfacial layer of water droplets, aqueous aerosol particles, and thin water films adsorbed on solid surfaces. This has profound consequences for modeling heterogeneous atmospheric chemical processes.

Hydroxyl radical at the air-water interface. Publishing Authors By Initials

M ,J Vieceli,LX Dang,BC Garrett,DJ Tobias,

For similar water research abstracts see: water research

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Hydroxyl radical at the air-water interface. Journal Published:

PUBLICATION TYPE: Research Support, U.S. Gov't,

Journal: Journal of the American Chemical Society

VOLUME: 126

Page Numbers: 16308-9

Journal Abbreviation: J. Am. Chem. Soc.

ISSN: 0002-7863

DAY: 22

MONTH: Dec

YEAR: 2004

Hydroxyl radical at the air-water interface. Information

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LANGUAGE: eng

NlmUniqueID: 7503056

Hydroxyl radical at the air-water interface. Keywords Mesh Terms:

KEYWORDS: Water

MESH TERMS: chemistry

Chemical & Substance for Abstract: Hydroxyl radical at the air-water interface. Information

Substance Name: Water

Registry Number: 7732-18-5

Grant and Affiliation Information for Hydroxyl radical at the air-water interface.

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

Country: United States

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MEDLINETA: J Am Chem Soc

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