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

Constrained molecular dynamics simulations are performed to determine residence and transfer times of HCl and HOCl pollutants in a thin ice film at 200 K. We calculate the lifetime of small hydrogen bonded HCl–water aggregates which can induce proton transfer and HCl ionization. It is shown that rapid nanoscale pollutant adsorption/penetration in ice could be a relevant process at the origin of the reactions leading to the chlorine production.