UFR de Physique

Propositions de stages en laboratoire -- M2

Les offres sont actualisées en mai. Par exemple, les offres de stages pour l'année universitaire 2015-2016 seront mises en place en mai 2015, les offres de stages pour l'année universitaire 2016-2017 seront mises en place pour en mai 2016, etc.

Quantum Dynamical Study of the Photodesorption and Photodissociation of Small Halogenated Molecules on Ice and Aerosols

  • Option International « Atmospheric Environnement » du parcours Lumière-Matière
  • Laboratoire: Laboratoire de Physique des Lasers, Atomes et Molécules (PhLAM)
  • Responsable du stage: PELAEZ-RUIZ Daniel (daniel.pelaez-ruiz@univ-lille1.fr, 03 20 33 64 52)
  • Co-responsable(s): Maurice MONNERVILLE, Alejandro RIVERO-SANTAMARIA
  • Mots clés: Atmospheric Chemistry, ice, aerosol, interactions, Quantum Dynamics
  • Fiche complète en PDF : Fiche complète en PDF

Heterogeneous reactivity, thermal and photochemical, of small halogenated molecules (Cl2, HCl, ClO2, CFCs, etc.) trapped in, or adsorbed on ice or aerosols is recognised to be one of the major sources of highly reactive radicals, crucial in atmospheric chemistry. Indeed, it has been found that processes induced by solar radiation trigger this transformation which is potentially destructive for stratospheric ozone 1, 2. Measurements of atmospheric abundances reveal that Cl derivatives are the most abundant followed by F, Br, and I 3.

The goal of the this project is to simulate fully quantum-mechanically the processes of photodesorption and photodissociation of small halogenated molecules adsorbed on ice and on aerosols. To this end we will use the Multiconfiguration Time-Dependent (MCTDH) methodology 4 in conjunction with Tucker-form fitting algorithms, like the recently developed Multigrid POTFIT method 5. The calculations will be performed using the internal and interaction potentials developed in our group 6.

The potential candidate should have knowledge of Linux operative system and programming skills (Fortran, Python, etc.) and a good command of Mathematics and Quantum Physics.

1 J. C. Farman, B. G. Gardiner, J. D. Shanklin, Nature 315, 207 (1985). 2 Q.-B. Lu, Phys. Rep. 487, 141 (2010). 3 B. J. Finlayson-Pitts and J. N. Pitts, Chemistry of the Upper and Lower Atmosphere: Theory, Experiments and Applications, Academic Press (1999). 4 M. H. Beck, A. Jäckle, G. A. Worth and H.-D. Meyer, Phys. Rep. 324, 1 (2000). 5 D. Peláez, H.-D. Meyer, J. Chem. Phys. 014108 (2013). 6 L. Hormain, M. Monnerville, C. Toubin, D. Duflot, B. Pouilly, S. Briquez, M. I. Bernal-Uruchurtu, R. Hernández-Lamoneda, J. Chem. Phys. 142, 144310 (2015).