Chemical Kinetics and Catalysis

• Derive a rate expression based on catalytic reaction mechanisms (elementary steps)
• Calculate the apparent reaction order and activation energy for a catalytic mechanism
• Derive a mathematical model for the combined diffusion and reaction in a catalyst pellet
• Calculate an approximate value of the effectiveness factor for any reaction in any geometry
• Understand trends of the catalytic performance of heterogeneous catalysts
• Describe a number of important mechanisms for catalyst deactivation
• Calculate the reaction order and activation energy for a gas phase reaction based on experimental data; Calculate Arrhenius parameters for an elementary reaction from experimental data
• Apply steady state and partial equilibrium analysis on a detailed reaction mechanism
• Calculate kinetic or thermodynamic parameters based on the relationship between rate constants and equilibrium constants
• Apply collision theory and transition state theory to estimate rate constants
• Establish a reaction mechanism for a chemical process based on data bases
• Explain some often used tools for characterization of heterogeneous catalysts

Basic kinetic concepts, theories of reaction rates, elementary gas-phase reactions, reaction mechanisms and kinetic modeling, elementary reactions in solution, reactions on surfaces and heterogeneous catalysis, characterization of real catalysts and single crystal surfaces, microkinetic modeling and comparison to experimental rate expressions, basics on testing of heterogeneous catalysts including heat and mass transfer in catalytic reactions, discussion of selected bulk chemical heterogeneously catalyzed processes.
The content of the course is relevant for sustainable production, including power-to-X processes which will be illustrated in the course.

Knowledge of physical chemistry corresponding to course 26222 of mathematics corresponding to 01035 or 28160.
Knowledge about chemical process technology corresponding to 28020, Introduction to Chemical Reaction Engineering 28140. It is particularly important to know the ideal reactor types: Stirred tank reactor, batch reactor and plug flow reactor.

Lectures, problem sessions, homework problems

Please contact Peter Glarborg concerning the part of the course dealing with gas phase kinetics and general questions.

Please contact Anker Degn Jensen concerning the part of the course dealing with liquid phase reactions and catalytic reactions