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Applied Analysis
Seminar information archive ～04/19｜Next seminar｜Future seminars 04/20～
| Date, time & place | Thursday 16:00 - 17:30 002Room #002 (Graduate School of Math. Sci. Bldg.) |
|---|
2010/04/22
16:00-17:30 Room #002 (Graduate School of Math. Sci. Bldg.)
Jens Starke (Technical University of Denmark)
Deterministic and stochastic modelling of catalytic surface processes (ENGLISH)
Jens Starke (Technical University of Denmark)
Deterministic and stochastic modelling of catalytic surface processes (ENGLISH)
[ Abstract ]
Three levels of modelling, the microscopic, the mesoscopic and the macroscopic level are discussed for the CO oxidation on low-index platinum single crystal surfaces. The introduced models on the microscopic and mesoscopic level are stochastic while the model on the macroscopic level is deterministic. The macroscopic description can be derived rigorously for low pressure conditions as limit of the stochastic many particle model for large particle numbers. This is in correspondence with the successful description of experiments under low pressure conditions by deterministic reaction-diffusion equations while for intermediate pressures phenomena of stochastic origin can be observed in experiments. The introduced models include a new approach for the platinum phase transition which allows for a unification of existing models for Pt(100) and Pt(110).
The rich nonlinear dynamical behaviour of the macroscopic reaction kinetics is investigated and shows good agreement with low pressure experiments. Furthermore, for intermediate pressures, noise-induced pattern formation, so-called raindrop patterns which are not captured by earlier models, can be reproduced and are shown in simulations.
This is joint work with M. Eiswirth, H. Rotermund, G. Ertl,
Frith Haber Institut, Berlin, K. Oelschlaeger, University of
Heidelberg and C. Reichert, INSA, Lyon.
Three levels of modelling, the microscopic, the mesoscopic and the macroscopic level are discussed for the CO oxidation on low-index platinum single crystal surfaces. The introduced models on the microscopic and mesoscopic level are stochastic while the model on the macroscopic level is deterministic. The macroscopic description can be derived rigorously for low pressure conditions as limit of the stochastic many particle model for large particle numbers. This is in correspondence with the successful description of experiments under low pressure conditions by deterministic reaction-diffusion equations while for intermediate pressures phenomena of stochastic origin can be observed in experiments. The introduced models include a new approach for the platinum phase transition which allows for a unification of existing models for Pt(100) and Pt(110).
The rich nonlinear dynamical behaviour of the macroscopic reaction kinetics is investigated and shows good agreement with low pressure experiments. Furthermore, for intermediate pressures, noise-induced pattern formation, so-called raindrop patterns which are not captured by earlier models, can be reproduced and are shown in simulations.
This is joint work with M. Eiswirth, H. Rotermund, G. Ertl,
Frith Haber Institut, Berlin, K. Oelschlaeger, University of
Heidelberg and C. Reichert, INSA, Lyon.
