JP-10 combustion studied with shock tube experiments and modeled with automatic reaction mechanism generation
This work presents shock tube experiments and kinetic modeling efforts on the pyrolysis and combustion of JP-10. The experiments were performed at 6–8 atm using 2000 ppm of JP-10 over a temperature range of 1000–1600 K for pyrolysis and oxidation equivalence ratios from 0.14 to 1.0. This work distin...
| Main Authors: | , , , , , , , , , , |
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| Other Authors: | |
| Format: | Article |
| Language: | en_US |
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Elsevier
2017
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| Online Access: | http://hdl.handle.net/1721.1/110998 https://orcid.org/0000-0001-8002-1036 https://orcid.org/0000-0003-2108-3004 |
| _version_ | 1826208455625539584 |
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| author | Bonomi, Robin E. Magoon, Gregory R. Wong, Hsi-Wu Oluwole, Oluwayemisi O. Lewis, David K. Vandewiele, Nick M. Van Geem, Kevin M. Gao, Connie Wu Vandeputte, Aaron Yee, Nathan Wa-Wai Green, William H |
| author2 | Massachusetts Institute of Technology. Department of Chemical Engineering |
| author_facet | Massachusetts Institute of Technology. Department of Chemical Engineering Bonomi, Robin E. Magoon, Gregory R. Wong, Hsi-Wu Oluwole, Oluwayemisi O. Lewis, David K. Vandewiele, Nick M. Van Geem, Kevin M. Gao, Connie Wu Vandeputte, Aaron Yee, Nathan Wa-Wai Green, William H |
| author_sort | Bonomi, Robin E. |
| collection | MIT |
| description | This work presents shock tube experiments and kinetic modeling efforts on the pyrolysis and combustion of JP-10. The experiments were performed at 6–8 atm using 2000 ppm of JP-10 over a temperature range of 1000–1600 K for pyrolysis and oxidation equivalence ratios from 0.14 to 1.0. This work distinguishes itself from previous studies as GC/MS was used to identify and quantify the products within the shocked samples, enabling the tracking of product yield dependence on equivalence ratio as well as identifying several new intermediates that form during JP-10’s decomposition. A detailed, comprehensive model of JP-10’s combustion and pyrolysis kinetics was constructed with the help of RMG, an open-source reaction mechanism generation software package. The resulting model, which includes 691 species reacting in 15,518 reactions, was extensively validated against the shock tube experimental dataset as well as newly published flow tube pyrolysis data from Ghent. Most of the important rate coefficients were computed using quantum chemistry. The model succeeds in identifying all major pyrolysis and combustion products and captures key trends in the product distribution. Simulated ignition delays agree within a factor of 4 with most experimental ignition delay data gathered from literature. The presented experimental work and modeling efforts yield new insights on JP-10’s complex decomposition and oxidation chemistry and identify key pathways towards aromatics formation. |
| first_indexed | 2024-09-23T14:05:56Z |
| format | Article |
| id | mit-1721.1/110998 |
| institution | Massachusetts Institute of Technology |
| language | en_US |
| last_indexed | 2024-09-23T14:05:56Z |
| publishDate | 2017 |
| publisher | Elsevier |
| record_format | dspace |
| spelling | mit-1721.1/1109982022-09-28T18:26:09Z JP-10 combustion studied with shock tube experiments and modeled with automatic reaction mechanism generation Bonomi, Robin E. Magoon, Gregory R. Wong, Hsi-Wu Oluwole, Oluwayemisi O. Lewis, David K. Vandewiele, Nick M. Van Geem, Kevin M. Gao, Connie Wu Vandeputte, Aaron Yee, Nathan Wa-Wai Green, William H Massachusetts Institute of Technology. Department of Chemical Engineering Gao, Connie Wu Vandeputte, Aaron Yee, Nathan Wa-Wai Green, William H This work presents shock tube experiments and kinetic modeling efforts on the pyrolysis and combustion of JP-10. The experiments were performed at 6–8 atm using 2000 ppm of JP-10 over a temperature range of 1000–1600 K for pyrolysis and oxidation equivalence ratios from 0.14 to 1.0. This work distinguishes itself from previous studies as GC/MS was used to identify and quantify the products within the shocked samples, enabling the tracking of product yield dependence on equivalence ratio as well as identifying several new intermediates that form during JP-10’s decomposition. A detailed, comprehensive model of JP-10’s combustion and pyrolysis kinetics was constructed with the help of RMG, an open-source reaction mechanism generation software package. The resulting model, which includes 691 species reacting in 15,518 reactions, was extensively validated against the shock tube experimental dataset as well as newly published flow tube pyrolysis data from Ghent. Most of the important rate coefficients were computed using quantum chemistry. The model succeeds in identifying all major pyrolysis and combustion products and captures key trends in the product distribution. Simulated ignition delays agree within a factor of 4 with most experimental ignition delay data gathered from literature. The presented experimental work and modeling efforts yield new insights on JP-10’s complex decomposition and oxidation chemistry and identify key pathways towards aromatics formation. Naval Air Warfare Center (U.S.) (Contract N68335-09-C-0367) Naval Air Warfare Center (U.S.) (Contract N68335-10-C-0534) United States. Department of Energy. Office of Basic Energy Sciences (Grant DE-FG02-98ER14914) National Science Foundation (U.S.) (Grant 0535604) National Science Foundation (U.S.) (Grant 0312359) United States. Department of Energy. Office of Basic Energy Sciences (DE-SC0001198) Richard Burnes 2017-08-21T20:01:24Z 2017-08-21T20:01:24Z 2015-05 2015-02 Article http://purl.org/eprint/type/JournalArticle 0010-2180 http://hdl.handle.net/1721.1/110998 Gao, Connie W. et al. “JP-10 Combustion Studied with Shock Tube Experiments and Modeled with Automatic Reaction Mechanism Generation.” Combustion and Flame 162, 8 (August 2015): 3115–3129 © 2015 The Combustion Institute https://orcid.org/0000-0001-8002-1036 https://orcid.org/0000-0003-2108-3004 en_US http://dx.doi.org/10.1016/j.combustflame.2015.02.010 Combustion and Flame Creative Commons Attribution-NonCommercial-NoDerivs License http://creativecommons.org/licenses/by-nc-nd/4.0/ application/pdf Elsevier Prof. William H. Green Jr. |
| spellingShingle | Bonomi, Robin E. Magoon, Gregory R. Wong, Hsi-Wu Oluwole, Oluwayemisi O. Lewis, David K. Vandewiele, Nick M. Van Geem, Kevin M. Gao, Connie Wu Vandeputte, Aaron Yee, Nathan Wa-Wai Green, William H JP-10 combustion studied with shock tube experiments and modeled with automatic reaction mechanism generation |
| title | JP-10 combustion studied with shock tube experiments and modeled with automatic reaction mechanism generation |
| title_full | JP-10 combustion studied with shock tube experiments and modeled with automatic reaction mechanism generation |
| title_fullStr | JP-10 combustion studied with shock tube experiments and modeled with automatic reaction mechanism generation |
| title_full_unstemmed | JP-10 combustion studied with shock tube experiments and modeled with automatic reaction mechanism generation |
| title_short | JP-10 combustion studied with shock tube experiments and modeled with automatic reaction mechanism generation |
| title_sort | jp 10 combustion studied with shock tube experiments and modeled with automatic reaction mechanism generation |
| url | http://hdl.handle.net/1721.1/110998 https://orcid.org/0000-0001-8002-1036 https://orcid.org/0000-0003-2108-3004 |
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