Pyrolysis of Cyclohexane and 1-Hexene at High Temperatures and Pressures—A Photoionization Mass Spectrometry Study
Name
energies-16-07929.pdf
Size
7.21 MB
Format
Adobe PDF
Checksum (MD5)
57a43291186974393e2f4050ba4e5843
Author(s)
Tranter, Robert S.
Banyon, Colin
Hawtof, Ryan E.
Kim, Keunsoo
Date Issued
December 6, 2023
Publisher
Multidisciplinary Digital Publishing Institute
Citation
Energies 16 (24): 7929 (2023)
Version
Final published version
Abstract
Cycloalkanes are important components of a wide range of fuels. However, there are few experimental data at simultaneously high temperatures and pressures similar to those found in practical systems. Such data are necessary for developing and testing chemical kinetic models. In this study, data relevant to cycloalkane pyrolysis were obtained from high repetition rate shock tube experiments coupled with synchrotron-based photoionization mass spectrometry diagnostics. The pyrolysis of cyclohexane was studied over 1270–1550 K and ~9 bar, while the more reactive primary decomposition product, 1-hexene, was studied at 1160–1470 K and ~5 bar. Insights into the decomposition of the parent molecules, the formation of primary products and the production of aromatic species were gained. Simulations were performed with models for cyclohexane and 1-hexene that were based on literature models. The results indicate that over several hundred microseconds reaction time at high pressures and temperatures the pyrolysis of cyclohexane is largely dominated by reactions initiated by cyclohexyl radicals. Furthermore, good agreement between the simulations and the experiments were observed for cyclohexane and 1-hexene with a modified version of the cyclohexane model. Conversely, the 1-hexene model did not reproduce the experimental observations.
MIT Department
Massachusetts Institute of Technology. Department of Chemical Engineering
Terms of Use
Creative Commons Attribution
Persistent DSpace Link
DOI of Published Version
http://dx.doi.org/10.3390/en16247929
