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Adsorption of Hydroxyacetone on Pure Ice Surfaces
Author(s) -
Petitjean Mélanie,
Darvas Maria,
Picaud Sylvain,
Jedlovszky Pál,
Le Calvé Stéphane
Publication year - 2010
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.201000629
Subject(s) - adsorption , chemistry , acetone , molecule , enthalpy , monolayer , chemical engineering , analytical chemistry (journal) , organic chemistry , thermodynamics , biochemistry , physics , engineering
The adsorption of hydroxyacetone molecules at the surface of ice is investigated by means of flow‐tube reactor measurements in the temperature range: 213–253 K. The number of molecules adsorbed per surface unit is conventionally plotted as a function of the absolute gas concentration of hydroxyacetone and is compared to that previously obtained for acetone and ethanol. The enthalpy of adsorption and the monolayer capacity at the ice surface are determined. In addition, molecular dynamics simulations are performed to support the experimental results. However, it is shown that the available interaction potential between hydroxyacetone and ice is not accurate enough to allow a robust detailed analysis of the adsorption process. Finally, a rapid estimation of the hydroxyacetone partitioning between the gas phase and ice shows that in the densest ice clouds, up to 29 % of hydroxyacetone could be adsorbed on pure ice surfaces at 203 K.