Struktur–Aktivitäts-Beziehungen und Reaktionsmechanismen für zukünftige Kraftstoffkomponenten: Dialkylether, Oxymethylenether und Furane
Zusammenfassung der Projektergebnisse
Linear and cyclic ethers that can be produced from biomass or electrochemically, will play an important role are as fuel components in future combustion systems. Despite their importance, the understanding of their decomposition and combustion chemistry is still insufficient. In this collaborative research project, we have investigated the kinetics of linear ethers using two different shock-tube facilities in Duisburg and Stuttgart. This involves investigating their decomposition under high-temperature conditions (>1000 K). Rate coefficients for hydrogen abstraction reactions by H atoms, crucial for combustion modeling were also determined. The investigation involved experimental shock-tube studies using different detection techniques in combination with theory calculations. The goal was to develop structure–activity relationship (SAR) allowing the calculation of H-abstraction rate coefficients for various ether compounds, aiding in detailed combustion modeling. Despite restriction caused by the COVID-19 pandemic, the joint project of UDE and DLR in collaboration with RWTH Aachen, Brown university, and IIT Haifa has been successfully.
Projektbezogene Publikationen (Auswahl)
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Monitoring formaldehyde in a shock tube with a fast dual-comb spectrometer operating in the spectral range of 1740–1790 cm–1. Applied Physics B, 126(12).
Fjodorow, Peter; Allmendinger, Pitt; Horvath, Raphael; Herzler, Jürgen; Eigenmann, Florian; Geiser, Markus; Fikri, Mustapha & Schulz, Christof
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Experimental and theoretical reaction kinetics on the pyrolysis of small esters: Ethyl and propyl propanoate, 30. Deutscher Flammentag Hannover-Garbsen, Sept. 28–29, 2021
J. Herzler, M. Fikri, C. Schulz & S. Peukert
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Pyrolysis of diethyl carbonate: Shock-tube and flow-reactor measurements and modeling. Proceedings of the Combustion Institute, 38(1), 987-996.
Sela, Paul; Zhang, Yu; Herzler, Jürgen; Fikri, Mustapha; Schulz, Christof & Peukert, Sebastian
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Shock Tube and Modeling Studies on the Pyrolysis of Diethylcarbonate, Esters, and 2-Pentanone, 9th International Conference of the Cluster of Excellence “The Fuel Science Center”, Aachen Feb. 28, 2021
J. Herzler, M. Fikri, C. Schulz & Sebastian Peukert
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Revealing H- Abstraction Reactions with Oxygenated Fuels Using Shock Tube Experiments with ARAS, 26th International Symposium on Gas Kinetics and Related Phenomena – GK2022, Aug. 28 – Sept. 1, 2022, Rennes, France, Talk
F. Werner, C. Naumann, M. Braun-Unkhoff, M. Köhler & U. Riedel
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Shock tube study of the pyrolysis kinetics of Di- and trimethoxy methane. Combustion and Flame, 242, 112186.
Döntgen, Malte; Fuller, Mark E.; Peukert, Sebastian; Nativel, Damien; Schulz, Christof; Alexander, Heufer K. & Franklin, Goldsmith C.
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Abstraction Reactions in DME, DEE and OME1: Examining Correlations between Activity and Structure, 11th European Combustion Meeting, ECM 2023, April 26– 28, 2023, Rouen, France, Conference Paper
F. Werner, C. Naumann, M. Braun-Unkhoff, T. Kathrotia, T. Methling, M. Köhler & U. Riedel
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Single-pulse shock-tube study on the pyrolysis of small esters (ethyl and propyl propanoate, isopropyl acetate) and methyl isopropyl carbonate. Proceedings of the Combustion Institute, 39(1), 49-61.
Herzler, J.; Mujaddadi, S.A.; Fikri, M.; Schulz, C. & Peukert, S.
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Structure-reactivity correlations for reactions between H/D atoms with selected ethers: Reaction-rate coefficients from direct shock-tube measurements and transition-state theory. Combustion and Flame, 270, 113689.
Werner, F.; Naumann, C.; Braun-Unkhoff, M.; Methling, T.; Schulz, C.; Riedel, U. & Peukert, S.
