A kinetic model of catalytic hydrogen peroxide synthesis

Vodikov peroksid je kemikalija, po kateri je v svetu vedno več povpraševanja. Zaradi tega se vedno več raziskovanja usmerja v neposredno sintezo H2O2 z namenom zamenjave antrakinonskega procesa. Del diplomskega dela se posveča teoretičnemu ozadju mehanizmov adsorpcije ter reakcij na katalizatorjih. Nato smo za raziskovanje neposredne sinteze za polšaržni sistem razvili matematični model, ki upošteva omejitve masnega prenosa tekoče – trdno. Za reakcijske hitrosti so bile uporabljene hitrosti, ki temeljijo na mehanizmih Languir-Hinshelwood in Eley-Rideal ter z njimi ustrezne konstante, ki so bile pridobljene v delih prejšnjih raziskovalcev na tem področju. Matematični model in ustrezne diferencialne enačbe so bile rešene v programskem okolju Python ter dobljene koncentracije predstavljene z grafi. Raziskali smo tudi vpliv spremembe velikosti konstante hidrogenacije na sistem in koncentracijo vodikovega peroksida. Prav tako smo raziskali vpliv nižje temperature.Hydrogen peroxide is a chemical with an ever-growing global demand. For this reason, more and more research is devoted to the direct synthesis of H2O2 with the aim of replacing anthraquinone procces. Part of this work deals with the theoretical background of adsorption and different mechanisms for surface catalytic reactions. In addition, we have developed a mathematical model that accounts for the limiting factor of liquid-solid mass transfer. Mechanisms based on Langmuir-Hinshelwood and Eley-Rideal mechanisms were used for the reaction rates, leading to the corresponding constants found in the studies of previous researchers in this field. The mathematical model and differential equations were solved in the Python programming language, and the results were presented in graphs. In addition, we studied the effects of the size of the hydrogenation constant on the system and the hydrogen peroxide concentration. We also studied the effects of lower temperature on the system