Time study of pollutants at the surface of ice at 200 K

Authors
Toubin, C Hoang, PNM Picaud, S Girardet, C
Citation
C. Toubin et al., Time study of pollutants at the surface of ice at 200 K, CHEM P LETT, 329(5-6), 2000, pp. 331-335
Citations number
21
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
00092614 → ACNP
Volume
329
Issue
5-6
Year of publication
2000
Pages
331 - 335
Database
ISI
SICI code
0009-2614(20001027)329:5-6<331:TSOPAT>2.0.ZU;2-P
Abstract
`Constrained molecular dynamics simulations are performed to determine resi dence and transfer times of HCl and HOCl pollutants in a thin ice film at 2 00 K. We calculate the lifetime of small hydrogen bonded HCl-water aggregat es which can induce proton transfer and HCl ionization. It is shown that ra pid nanoscale pollutant adsorption/penetration in ice could be a relevant p rocess at the origin of the reactions leading to the chlorine production. ( C) 2000 Elsevier Science B.V. All rights reserved.