1. Postulate a catalytic mechanism for catalyst A. To accomplish this task, it may be useful to try to view individual events and answer individual questions with the simulation module, such as: a. How does CO adsorb? Molecularly or dissociatively? Can you visualize the adsorption event? Describe it in words. b. How does O2 adsorb? Molecularly or dissociatively? Can you visualize the adsorption event? Describe it in words. c. Can you visualize the surface reaction happening? (You may need to slow down the simulation delay to “see” this happen.) Describe it in words.
2. Determine the dependence of the rate of reaction (CO2 production) on the concentrations of the reactants (reaction orders) for isothermal catalytic CO oxidation at 600 K on catalyst A. To help discern the concentration effects, it may be useful to graph the rate of CO2 production vs. each species’ concentration. Propose a catalytic rate law (not just a power law model) for this system. To accomplish this task, you will need to have reaction rate information, which can come from an analysis of real-time simulation data (one option is the method of initial rates - cite reference).
3. Determine rate and equilibrium constants for the given catalyst A system at 600 K, using the data collected in problem 2 above.
1. Postulate a catalytic mechanism for catalyst A consistent with the concentration dependence discovered in problems #1 and #2 of the level 1 problems. Show how this mechanism leads to the same rate law equation, with the same concentration dependence, as in problems #1 and #2 of the level 1 problems.
2. Compare your catalytic mechanistic model to the simulation data you collected for one case (one set of reactant concentrations) of CO oxidation on catalyst A at 600 K.
3. Estimate the Arrhenius parameters for the actual surface reaction present in the catalytic mechanism posed from problem #1 above.