Abstract Current nitromethane kinetic schemes do not fully capture the intermediate reaction states of deflagrating nitromethane, which is an explosive used in many combustion applications. There is a need for data on these transient species that can be used to validate and improve contemporary kinetic models. This work aims to analyze the evolution of identified transient species present in a nitromethane–air flame stabilized on a wick at ambient pressure. We detect several new emitters in excited electronic states, HNO*(A’), CN* (A2Σ), NO2*, and in ground electronic states, CH, OH, NH, and H2O. We also confirm the presence of previously observed reaction species CH*(A2Δ). Formaldehyde and the characteristic C2*(A3Πg) swan bands are not observed. Results are reported as a function of flame position. Flame simulations for the nitromethane flame using reaction mechanisms by Brequigny et al. (Proc. Combust. Inst. 2014, 35, 703) and Mathieu et al. (Fuel 2016, 182, 597) yield good qualitative agreement to the experimental data for rich stoichiometries. While current mechanisms do not include excited state species, these results also provide insight into potential ground state precursors.

中文翻译：

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硝基甲烷-空气扩散火焰中光谱发射物质的空间分布与动力学模型的比较

摘要 当前的硝基甲烷动力学方案不能完全捕获硝基甲烷爆燃的中间反应状态，硝基甲烷是一种用于许多燃烧应用的炸药。需要可用于验证和改进当代动力学模型的关于这些瞬态物种的数据。这项工作旨在分析在环境压力下稳定在灯芯上的硝基甲烷-空气火焰中存在的已识别瞬态物种的演变。我们在激发电子态 HNO*(A')、CN* (A2Σ)、NO2* 和基态电子态 CH、OH、NH 和 H2O 中检测到几个新的发射体。我们还确认了先前观察到的反应物质 CH*(A2Δ) 的存在。没有观察到甲醛和特征性 C2*(A3Πg) 天鹅带。结果报告为火焰位置的函数。Brequigny 等人使用反应机制模拟硝基甲烷火焰。(Proc. Combust. Inst. 2014, 35, 703) 和 Mathieu 等人。(Fuel 2016, 182, 597) 与丰富化学计量的实验数据具有良好的定性一致性。虽然目前的机制不包括激发态物种，但这些结果也提供了对潜在基态前体的洞察。