Ionization of nitric acid in ice surface defects
DIPC Seminars
- Speaker
-
Sampsa Riikonen, Lab. of Physical Chemistry, Dep. of Chemistry, University of Helsinki, Finland
- When
-
2013/06/12
14:00 - Place
- Donostia International Physics Center (DIPC). Paseo Manuel de Lardizabal, 4 (nearby the Facultad de Quimica), Donostia
- Add to calendar
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Ionization of nitric acid on a "rough" model ice surface
is studied using ab-initio molecular dynamics.
Our ice model surface consists of the ideal ice basal plane with
locally optimized and annealed defects. At the defect sites,
nitric acid ionization is possible in pico- and sub-picosecond
timescales. A key feature is the efficient solvation of the nitrate
ion, by using the dangling hydrogen bonds available on the basal plane
and at the defect, while proton-relay (Grotthuss migration) into surface
Eigen-ion position is facilitated at the defect sites.