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Experimental and Modeling Study on the Ignition Kinetics of Nitromethane behind Reflected Shock Waves

[Image: see text] Nitromethane (NM) is the simplest nitroalkane fuel and has demonstrated potential usage as propellant and fuel additive. Thus, understanding the combustion characteristics and chemistry of NM is critical to the development of hierarchical detailed kinetic models of nitro-containing...

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Autores principales: Zhang, Yang, Zhao, Ziwen, Ma, Ruirong, Liang, Jinhu, Yao, Qian, Wang, Quan-De, Zhao, Fengqi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10601069/
https://www.ncbi.nlm.nih.gov/pubmed/37901537
http://dx.doi.org/10.1021/acsomega.3c05741
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author Zhang, Yang
Zhao, Ziwen
Ma, Ruirong
Liang, Jinhu
Yao, Qian
Wang, Quan-De
Zhao, Fengqi
author_facet Zhang, Yang
Zhao, Ziwen
Ma, Ruirong
Liang, Jinhu
Yao, Qian
Wang, Quan-De
Zhao, Fengqi
author_sort Zhang, Yang
collection PubMed
description [Image: see text] Nitromethane (NM) is the simplest nitroalkane fuel and has demonstrated potential usage as propellant and fuel additive. Thus, understanding the combustion characteristics and chemistry of NM is critical to the development of hierarchical detailed kinetic models of nitro-containing energetic materials. Herein, to further investigate the ignition kinetics of NM and supplement the experimental database for kinetic mechanism development, an experimental and kinetic modeling analysis of the ignition delay times (IDTs) of NM behind reflected shock waves at high fuel concentrations is reported against previous studies. Specifically, the IDTs of NM are measured via a high-pressure shock tube within the temperature from 900 to 1150 K at pressures of 5 and 10 bar and equivalence ratios of 0.5, 1.0, and 2.0. Brute-force sensitivity analysis and chemical explosive mode analysis in combination with reaction path analysis are employed to reveal the fundamental ignition kinetics of NM. Finally, a skeletal mechanism for NM is derived via the combination of directed relation graph-based methods, which demonstrates good prediction accuracy of NM ignition and flame speeds. The present work should be valuable for understanding the combustion chemistry of NM and the development of the fundamental reaction mechanism of nitroalkane fuels.
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spelling pubmed-106010692023-10-27 Experimental and Modeling Study on the Ignition Kinetics of Nitromethane behind Reflected Shock Waves Zhang, Yang Zhao, Ziwen Ma, Ruirong Liang, Jinhu Yao, Qian Wang, Quan-De Zhao, Fengqi ACS Omega [Image: see text] Nitromethane (NM) is the simplest nitroalkane fuel and has demonstrated potential usage as propellant and fuel additive. Thus, understanding the combustion characteristics and chemistry of NM is critical to the development of hierarchical detailed kinetic models of nitro-containing energetic materials. Herein, to further investigate the ignition kinetics of NM and supplement the experimental database for kinetic mechanism development, an experimental and kinetic modeling analysis of the ignition delay times (IDTs) of NM behind reflected shock waves at high fuel concentrations is reported against previous studies. Specifically, the IDTs of NM are measured via a high-pressure shock tube within the temperature from 900 to 1150 K at pressures of 5 and 10 bar and equivalence ratios of 0.5, 1.0, and 2.0. Brute-force sensitivity analysis and chemical explosive mode analysis in combination with reaction path analysis are employed to reveal the fundamental ignition kinetics of NM. Finally, a skeletal mechanism for NM is derived via the combination of directed relation graph-based methods, which demonstrates good prediction accuracy of NM ignition and flame speeds. The present work should be valuable for understanding the combustion chemistry of NM and the development of the fundamental reaction mechanism of nitroalkane fuels. American Chemical Society 2023-10-12 /pmc/articles/PMC10601069/ /pubmed/37901537 http://dx.doi.org/10.1021/acsomega.3c05741 Text en © 2023 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by-nc-nd/4.0/Permits non-commercial access and re-use, provided that author attribution and integrity are maintained; but does not permit creation of adaptations or other derivative works (https://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle Zhang, Yang
Zhao, Ziwen
Ma, Ruirong
Liang, Jinhu
Yao, Qian
Wang, Quan-De
Zhao, Fengqi
Experimental and Modeling Study on the Ignition Kinetics of Nitromethane behind Reflected Shock Waves
title Experimental and Modeling Study on the Ignition Kinetics of Nitromethane behind Reflected Shock Waves
title_full Experimental and Modeling Study on the Ignition Kinetics of Nitromethane behind Reflected Shock Waves
title_fullStr Experimental and Modeling Study on the Ignition Kinetics of Nitromethane behind Reflected Shock Waves
title_full_unstemmed Experimental and Modeling Study on the Ignition Kinetics of Nitromethane behind Reflected Shock Waves
title_short Experimental and Modeling Study on the Ignition Kinetics of Nitromethane behind Reflected Shock Waves
title_sort experimental and modeling study on the ignition kinetics of nitromethane behind reflected shock waves
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10601069/
https://www.ncbi.nlm.nih.gov/pubmed/37901537
http://dx.doi.org/10.1021/acsomega.3c05741
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