Impact, Trapping, and Accommodation of Hydroxyl Radical and Ozone at Salt Aerosol Surfaces: A Molecular Dynamics Study.
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F03%3A54030210" target="_blank" >RIV/61388955:_____/03:54030210 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Impact, Trapping, and Accommodation of Hydroxyl Radical and Ozone at Salt Aerosol Surfaces: A Molecular Dynamics Study.
Original language description
Collisions of the gaseous hydroxyl radical and ozone with surfaces of sodium chloride or iodide solutions as well as with the surface of neat water were investigated by molecular dynamics simulations. The principal aim was to answer atmospherically relevant questions concerning trapping and accommodation of the OH and O3 species at the surface and their uptake into the bulk solution. Although trapping is substantial for both species, OH adsorbs and absorbs significantly better than O3. While most of thetrapped ozone molecules desorb from the surface within 50 ps, a significant fraction of hydroxyl radicals remains at the interface for time intervals. The aqueous surface has also an orientational effect on the OH species, favoring geometries with the hydrogen pointing to the aqueous bulk. The effect of the dissolved salt on the trapping efficiency is minor, therefore, most likely, atomic ions solvated in aqueous aerosols do not act as scavengers of reactive gases in the atmosphere.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
<a href="/en/project/LN00A032" target="_blank" >LN00A032: Structure and dynamics of complex molecular systems and biomolecules</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2003
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Physical Chemistry. B
ISSN
1089-5647
e-ISSN
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Volume of the periodical
107
Issue of the periodical within the volume
N/A
Country of publishing house
US - UNITED STATES
Number of pages
10
Pages from-to
12690-12699
UT code for WoS article
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EID of the result in the Scopus database
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