student profile: Mr Zuo Li


Thesis work

Thesis title: Heterogeneous Chemical Kinetics at High Temperatures

Supervisors: Alejandro MONTOYA , Assaad MASRI

Thesis abstract:

The exhaust gas treatment is a hot topic in chemical engineering. As a passive process, the inlet composition and conditions are always fluctuating, which increase the demand in the behaviour of catalysts. To develop a comprehensive understanding of such uncertain process, this project tend to develop a comprehensive kinetic model for vehicle engine exhaust gas treatment. From our review, the kinetic models of the three-way catalytic (TWC) reactions, including the kinetics of hydrocarbon and carbon monoxide oxidation, and nitric oxides reduction has been studied on noble metal (Pt) catalyst. Although there are some rough kinetic descriptions of these reactions, there is still no comprehensive kinetic model developed based on DFT calculation and quantum chemistry. The modern DFT study on exhaust gas treatment reactions has not been systematically organized. On the other hand, although the ceria is generally applied in current commercial TWC, the mechanism of interactions between two active materials (Pt and ceria), and their cooperation in exhaust gas treatment is not clearly stated. Therefore, this project will be processed in these two terms and try to define the kinetics of reactions in TWC.

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