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Adsorption of HCL on ice under stratospheric conditions: A computational study
Author(s) -
Kroes GeertJan,
Clary David C.
Publication year - 1992
Publication title -
geophysical research letters
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 2.007
H-Index - 273
eISSN - 1944-8007
pISSN - 0094-8276
DOI - 10.1029/92gl01124
Subject(s) - adsorption , crystallite , ice crystals , monolayer , materials science , chemistry , mineralogy , analytical chemistry (journal) , environmental chemistry , meteorology , physics , nanotechnology , crystallography
Modelling surface adsorption of HCl on type II PSC's, we have performed computer simulations of adsorption of HCl on single crystal ice. For stratospheric conditions, the maximum surface coverage of ice by HCl is calculated to be 10 −7 monolayer. This value was obtained by taking surface disorder into account. It is much too low for the reaction of HCl with chloronitrate to proceed rapidly on ordinary ice in one step. The calculated value of the surface coverage is much lower than recent experimental values for the uptake of HCl by polycrystalline ice, and the validity of the interpretation of the uptake of HCl by polycrystalline ice as being due to surface adsorption is questioned.