Investigation of the combustion chemistry in laminar, low-pressure oxymethylene ether flames (OME0–4)

N. Gaiser, H. Zhang, T. Bierkandt, S. Schmitt, J. Zinsmeister, T. Kathrotia, P. Hemberger, S. Shaqiri, T. Kasper, M. Aigner, P. Oßwald, M. Köhler, Combustion and Flame 243 (2022).

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Journal Article | Published | English
Author
Gaiser, Nina; Zhang, Hao; Bierkandt, Thomas; Schmitt, Steffen; Zinsmeister, Julia; Kathrotia, Trupti; Hemberger, Patrick; Shaqiri, Shkelqim; Kasper, TinaLibreCat ; Aigner, Manfred; Oßwald, Patrick; Köhler, Markus
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Abstract
Quantitative speciation data for alternative fuels is highly desired to assess their emission potential and to develop and validate chemical kinetic models. In terms of substitute choices for fossil diesel are oxymethylene ethers (OMEs) strongly discussed. Due to the absence of carbon-carbon bonds, soot emis-sions from combustion of OMEs are low, but significant emissions of unregulated pollutants such as alde-hydes emerge. The combustion behavior of OME fuels with different chain lengths, OME0-4, was investigated in lam-inar premixed low-pressure flames using complementary molecular-beam mass spectrometry (MBMS) techniques. MBMS sampling provides an in-situ access directly into the reaction zone of the flame. Al-most all chemical species involved in the oxidation process can be detected and quantified simultane-ously. Neat OME0-3 flames were analyzed by electron ionization (EI) MBMS with high mass resolution ( R approximate to 3900) providing exact elementary composition. To obtain isomer-specific information, an OME1- doped hydrogen flame and a stochiometric OME4 flame were studied by double-imaging photoelectron photoion coincidence (i2PEPICO) spectroscopy. Both, EI-MBMS detection and i2PEPICO spectroscopy, en-ables a complete overview of all intermediates. The results show a dominance of oxygenated intermediates for all measured conditions. Mole fraction profiles for the most important species are presented (i.e. formaldehyde, methanol, methyl formate and formic acid) and compared to modeling results. Hydrocarbons with more than four carbon atoms were not detected under the investigated conditions. Isomers such as ethanol/dimethyl ether (m/z = 46) and ethenol/acetaldehyde (m/z = 44) could be separated using threshold photoelectron spectra for clear iden-tification and photoionization efficiency curves for quantification. This investigation permits the discus-sion and analysis of systematic trends, including intermediate species, for the combustion of the studied series of oxymethylene ether fuels. (c) 2022 The Combustion Institute. Published by Elsevier Inc. All rights reserved.
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Journal Title
Combustion and Flame
Volume
243
Article Number
112060
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Gaiser N, Zhang H, Bierkandt T, et al. Investigation of the combustion chemistry in laminar, low-pressure oxymethylene ether flames (OME0–4). Combustion and Flame. 2022;243. doi:10.1016/j.combustflame.2022.112060
Gaiser, N., Zhang, H., Bierkandt, T., Schmitt, S., Zinsmeister, J., Kathrotia, T., Hemberger, P., Shaqiri, S., Kasper, T., Aigner, M., Oßwald, P., & Köhler, M. (2022). Investigation of the combustion chemistry in laminar, low-pressure oxymethylene ether flames (OME0–4). Combustion and Flame, 243, Article 112060. https://doi.org/10.1016/j.combustflame.2022.112060
@article{Gaiser_Zhang_Bierkandt_Schmitt_Zinsmeister_Kathrotia_Hemberger_Shaqiri_Kasper_Aigner_et al._2022, title={Investigation of the combustion chemistry in laminar, low-pressure oxymethylene ether flames (OME0–4)}, volume={243}, DOI={10.1016/j.combustflame.2022.112060}, number={112060}, journal={Combustion and Flame}, publisher={Elsevier BV}, author={Gaiser, Nina and Zhang, Hao and Bierkandt, Thomas and Schmitt, Steffen and Zinsmeister, Julia and Kathrotia, Trupti and Hemberger, Patrick and Shaqiri, Shkelqim and Kasper, Tina and Aigner, Manfred and et al.}, year={2022} }
Gaiser, Nina, Hao Zhang, Thomas Bierkandt, Steffen Schmitt, Julia Zinsmeister, Trupti Kathrotia, Patrick Hemberger, et al. “Investigation of the Combustion Chemistry in Laminar, Low-Pressure Oxymethylene Ether Flames (OME0–4).” Combustion and Flame 243 (2022). https://doi.org/10.1016/j.combustflame.2022.112060.
N. Gaiser et al., “Investigation of the combustion chemistry in laminar, low-pressure oxymethylene ether flames (OME0–4),” Combustion and Flame, vol. 243, Art. no. 112060, 2022, doi: 10.1016/j.combustflame.2022.112060.
Gaiser, Nina, et al. “Investigation of the Combustion Chemistry in Laminar, Low-Pressure Oxymethylene Ether Flames (OME0–4).” Combustion and Flame, vol. 243, 112060, Elsevier BV, 2022, doi:10.1016/j.combustflame.2022.112060.

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