MODELING AND EXPERIMENTAL INVESTIGATION OF CATALYTIC HYDROGEN PEROXIDE DECOMPOSITION

Date

2025-11-07

Author

Metin Alp, Yurtseven

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One distinct area of hydrogen peroxide (H2O2) utilization is propulsion. In propulsion, having high purity hydrogen peroxide and its decomposition are highly important. In this study, the use of 1H Nuclear Magnetic Resonance (NMR) in monitoring hydrogen peroxide reactions, determination of hydrogen peroxide concentration, stabilizer effects on hydrogen peroxide and contaminant influence on this chemical were investigated. The amount of hydrogen peroxide was determined with potentiometric titration and compared with 1H NMR results. It was concluded that concentration information can be inferred from 1H NMR using less chemicals and in a shorter time with proper calibration. Furthermore, different grades of hydrogen peroxide can be distinguished by 1H NMR spectroscopy. It was demonstrated that 1H NMR reaction monitoring is useful to see the effect of contaminations and their influence on decomposition catalyst such as Pd/Al2O3. As a result, the best stabilizer can be selected with 1H NMR reaction monitoring and different catalysts can be easily compared. Two different modeling approaches were applied to H2O2 decomposition, and when looking at the temperature profiles, it was seen that it was more convenient to monitor the reactions in the micromixing zone. In addition, the studies were supported with Density Functional Theory. Theoretical chemical shifts of the reactant and product were calculated and compared with the experimental results, which is in line with each other. The combination of computational and experimental work can further elucidate physical and chemical properties of hydrogen peroxide.

Subject Keywords

Hydrogen Peroxide, Nuclear Magnetic Resonance, Catalytic Decomposition

URI

https://hdl.handle.net/11511/117367

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Graduate School of Natural and Applied Sciences, Thesis