Abstract This work presents new fundamental combustion experimental datasets and propose an improved kinetic model for n-dodecane, a widely used surrogate component for jet fuels and diesel. In the experiments, ignition delay times for n-dodecane, were measured over low-to-high temperature range by combining a heated rapid compression machine (RCM) and a heated shock tube (ST). The measurements cover a wide range of temperatures (621–1320 K), pressures (8, 15 bar) and equivalence ratios (0.5–1.5). Flow reactor oxidation was also carried out over temperature range of 600–1100 K and at equivalence ratios of 0.5, 1.0 and 1.5 under atmospheric pressure to provide species evolution profiles of O2, CO, CO2 CH4, C2H4 etc. These datasets were used to develop a mechanism for n-dodecane. New rate coefficients were adopted from recent literature to improve the performance of the model, leading to a model composed of 737 species and 3629 reactions. The present experimental data, as well as a wide range of datasets in literature, were used to evaluate the performance of the model. An overall good agreement of the predictions with the experimental results was observed. This model is anticipated to facilitate the development of kinetic models for jet fuel surrogate.

中文翻译：

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正十二烷的实验研究和改进动力学模型的建立

摘要 这项工作提出了新的基本燃烧实验数据集，并提出了一种改进的正十二烷动力学模型，正十二烷是喷气燃料和柴油的一种广泛使用的替代成分。在实验中，正十二烷的点火延迟时间是通过结合加热快速压缩机 (RCM) 和加热冲击管 (ST) 在低温到高温范围内测量的。测量涵盖了广泛的温度 (621–1320 K)、压力 (8, 15 bar) 和当量比 (0.5–1.5)。流动反应器氧化也在 600-1100 K 的温度范围内和在大气压下以 0.5、1.0 和 1.5 的当量比进行，以提供 O2、CO、CO2 CH4、C2H4 等的物种演化曲线。这些数据集用于开发正十二烷的一种机制。从最近的文献中采用了新的速率系数来提高模型的性能，导致模型由 737 个物种和 3629 个反应组成。目前的实验数据以及文献中的大量数据集被用来评估模型的性能。观察到预测与实验结果的总体良好一致性。该模型有望促进喷气燃料替代品动力学模型的开发。