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Vortrag: Molecular modeling of the dynamics of pollutants at the ice surface

Vortrag im Fakultätskolloquium am 11.7.2007


Im Rahmen des Fakultätskolloquiums findet am
Mittwoch, dem 11.7.2007, um 16 Uhr s.t., im Seminarraum des Instituts für Physikalische Chemie, Arnold-Sommerfeld-Str. 4,
folgender Gastvortrag statt:

Molecular modeling of the dynamics of pollutants at the ice surface
Prof. Dr. Céline Toubin, Université de Lille I, France

A specific and intense chemistry is known to occur at ice surfaces. This molecular substrate offers actually a wide range of active sites leading to heterogeneous chemical reactions. In the atmospheric contest, the pollutant/ice interface has been extensively studied both experimentally and theoretically. In connection with ozone depletion, I will review few theoretical studies, based on molecular dynamics simulation, we carried out regarding the ice dynamics and describing the pollutant (HCl, HF, CH3OH,...) ice interface.
Besides, in atmospheric chemistry, special attention is now paid to reactions activated by the UV/V light. The radiations initiate chemical transformations and production of highly reactive radicals by altering adsorbed or gas phase molecules. The work I will present here is the first theoretical investigation of the photodissociation of an adsorbed halogenated molecule (HX, X=Cl, F) at the ice surface.
I will conclude this review with a discussion dedicated to future work and to the improvements of the model.









From: 04.07.2007 18:15
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