.What theoretical frameworks are used to design catalytic materials that optimize reaction rates and selectivity in complex chemical processes without experimental validation?
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- To design catalytic materials that optimize reaction rates and selectivity, it is crucial to understand the factors that influence these properties. These factors include the nature of the catalyst surface, the presence of active sites, the stability of the Show more…
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If you wanted to design a new industrial catalyst based on some theoretical molecule, could you use?
Adi S.
Question 1 a) Hydrogen adsorbs dissociatively on most d-metals, e.g., Pt and Rh; explain why, based on the very simple molecular orbitals of the dihydrogen molecule. b) Pt is a catalyst for the (simplified) reaction: NO + H2 → NH2OH The surface of the Pt particles contains identical sites only; propose and motivate a scheme of elementary reaction steps for this overall reaction, according to the Langmuir-Hinshelwood mechanism. c) Derive a rate equation, assuming that the first surface reaction is rate determining. d) Assuming that NO adsorbs much stronger than hydrogen, what would be the apparent order of the reaction in hydrogen and NO? Motivate your answer. e) In the case of d, what would be the effect (if any) of further increasing the strength of adsorption of NO on the experimental activation energy? Motivate your answer with an energy diagram. Question 2 a) Consider the reaction of synthesis gas over the 3d transition metals. Indicate the main carbon-containing products formed during CO conversion on Fe, Co, Ni, and Cu and explain the differences in terms of atomic binding energies. b) Discuss the main catalytic reaction steps used to convert natural gas into high-purity hydrogen; provide for each step the reaction equation, indicate whether it is exotherm or endotherm, indicate a typical temperature, and propose a suitable catalyst. c) Give the three main reactions catalyzed in a catalytic convertor placed in the exhaust of a gasoline car. Why is Rh needed to reduce NO? d) Describe the concept of shape selectivity in zeolite catalysis and give one example.
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