Experimental study and model of kinetics and equilibrium reaction of the heterogeneously catalyzed synthesis of poly(oxymethylene)dibutyl ether

This research project aims to contribute to the transition of the transport sector from a petroleum-based fuel to an alternative-based solution, focusing on a particular type of synthetic ether fuel: the Polyoxymethylene dibutyl ethers (OMBEs). The study is motivated by the continuously increasing energy demand in the heavy-duty transport sector, which has led to an urgent need to develop CO2-reduced, drop-in-ready substitute fuels. OMBEs are a promising synthetic diesel substitute due to their favorable physicochemical properties, they can be produced from butanol and paraformaldehyde using acid catalysis. This thesis focuses on the investigation of the chemical equilibrium and reaction kinetics governing the formation of poly(oxymethylene)dibutyl ethers. The chemical equilibrium for the formation of poly(oxymethylene)dibutyl ethers is explored experimentally for a temperature range between 311.45 K and 355.35 K, utilizing educt mixtures of formaldehyde and n-butanol/isobutanol. The reaction kinetics are investigated experimentally for a temperature range between 293.15 K and 353.15 K using an autoclave reactor and utilizing educt mixtures of formaldehyde and n-butanol/ isobutanol. Both experiments are repeated for various initial compositions to give a broader overview of both the equilibrium and the kinetics governing the synthesis of Poly(oxymethylene)dibutyl ether. Overall compositions are recorded timediscretely using established and specially modified quantification methods. Based on the collected experimental data, a molar-fraction-based model is extended and fitted to describe the equilibrium state under varying conditions. To characterize the reaction kinetics, a pseudohomogenous molar-fraction-based approach is used. The developed model accurately describes the experiments and fits process simulation integration, providing a foundation for scaling up from batch to continuous production of OMBEs, thus paving the way for future industrial applications.