Rapid Water Transport through Organic Layers on Ice
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F18%3A00490604" target="_blank" >RIV/61388955:_____/18:00490604 - isvavai.cz</a>
Alternative codes found
RIV/61388963:_____/18:00490978
Result on the web
<a href="http://dx.doi.org/10.1021/acs.jpca.8b01951" target="_blank" >http://dx.doi.org/10.1021/acs.jpca.8b01951</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.jpca.8b01951" target="_blank" >10.1021/acs.jpca.8b01951</a>
Alternative languages
Result language
angličtina
Original language name
Rapid Water Transport through Organic Layers on Ice
Original language description
Processes involving atmospheric aerosol and cloud particles are affected by condensation of organic compounds that are omnipresent in the atmosphere. On ice particles, organic compounds with hydrophilic functional groups form hydrogen bonds with the ice and orient their hydrophobic groups away from the surface. The organic layer has been expected to constitute a barrier to gas uptake, but recent experimental studies suggest that the accommodation of water molecules on ice is only weakly affected by condensed short-chain alcohol layers. Here, we employ molecular dynamics simulations to study the water interactions with n-butanol covered ice at 200 K and show that the small effect of the condensed layer is due to efficient diffusion of water molecules along the surface plane while seeking appropriate sites to penetrate, followed by penetration driven by the combined attractive forces from butanol OH groups and water molecules within the ice. The water molecules that penetrate through the n-butanol layer become strongly bonded by approximately three hydrogen bonds at the butanol ice interface. The obtained accommodation coefficient (0.81 +/- 0.03) is in excellent agreement with results from previous environmental molecular beam experiments, leading to a picture where an adsorbed n-butanol layer does not alter the apparent accommodation coefficient but dramatically changes the detailed molecular dynamics and kinetics.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10403 - Physical chemistry
Result continuities
Project
—
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2018
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 A
ISSN
1089-5639
e-ISSN
—
Volume of the periodical
122
Issue of the periodical within the volume
21
Country of publishing house
US - UNITED STATES
Number of pages
8
Pages from-to
4861-4868
UT code for WoS article
000434236800011
EID of the result in the Scopus database
2-s2.0-85046972835