Background:
Hydrogen peroxide (H2O2) synthesis is an important process in the chemical industry, as H2O2 is a versatile and environmentally friendly basic chemical. It is used as an oxidizing agent in the chemical industry, as a bleaching agent, in the semiconductor industry and also as rocket fuel. The conventional method of H2O2 synthesis is the highly centralized anthraquinone process. By means of H2O2 direct synthesis, however, H2O2 can be produced in a decentralized and in-situ manner for direct on-site application. Coupling this process with enzymatic catalysts, such as non-specific peroxygenase (AaeUPO) or vanadium-dependent chloroperoxidases (VCPO), is a promising option for the selective and sustainable production of chemical compounds. Understanding the kinetic mechanisms and modelling of these coupled processes are crucial for optimization and industrial application.

Aim of the thesis:
The aim of this master thesis is to develop and validate a kinetic model for H2O2 direct synthesis in combination with the enzymes AaeUPO or vanadium-dependent chloroperoxidases. The influences of different process parameters and substrates on the reaction kinetics will be investigated and optimized conditions for tandem catalysis will be identified.

Tasks:
1. experimental work:
o Carrying out enzyme reactions under different conditions and with different substrates.
o Investigation of the coupling of H2O2 direct synthesis with the enzymatic reactions and determination of the relevant kinetic data.

2. modeling:
o Using kinetic models for H2O2 direct synthesis from the literature
o Development of a kinetic model for the enzymatic reactions (Michaelis Menten)
o Implementation and simulation of the model using suitable software in Matlab
o Validation of the model using the experimental data and adjustment of the model parameters.

Liquid and Dispersed Systems Group (LIQ)
Job type: Bachelor thesis/ Master thesis
Starting date: September or October 2024
Contact person: Peters, Till; till.peters@kit.edu; + 49 721 608-26716