-Alkanes and aromatics are two essential components in transportation fuels and have distinct oxidation reactivities. Due to products with different chemical functionalities generated in oxidation of -alkanes and aromatics, the interaction kinetics may significantly affect the overall reactivity as well as product distributions. This work investigated the oxidation chemistry of the mixture of -decane and -butylbenzene, both of which are C hydrocarbons commonly used as jet fuel surrogate components. The experiments were conducted in a jet stirred reactor at pressure of 1 atm, the temperature range of 450–850 K, and the equivalence ratios of 0.5, 1.0 and 2.0. Key low temperature oxidation intermediates and radicals, including C-cyclic ethers, C-ketohydroperoxides, C-ketodihydroperoxide, C-diketohydroperoxide, benzyl hydroperoxide, methyl peroxy radical and methyl hydroperoxide, were detected by using synchrotron vacuum ultraviolet photoionization mass spectrometry. A detailed kinetic model was developed and validated against the speciation data in this work. Results reveal that the reactions of -decane greatly enhance the low temperature oxidation reactivity of -butylbenzene by efficiently producing reactive radicals, such as OH radicals. Besides, the reactions of -butylbenzene play an inhibiting role in low temperature oxidation reactivity of -decane. The measured intermediates, such as C-cyclic ethers, C-ketohydroperoxides and C-ketodihydroperoxide, provide experimental evidence to validate the first, second and third O-addition reactions, respectively. Due to the addition of -decane, the evolution profiles of aromatic intermediates as a function of temperature are quite different from the cases of pure -butylbenzene oxidation. For example, the formation of benzene, phenol and benzaldehyde at low temperatures is significantly enhanced, whose mole fractions present negative temperature coefficient behaviours. Finally, the reaction pathways of the binary fuel to produce CC alkenes, alkynes, aldehydes, alcohols, acids and peroxides were analysed.

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正癸烷/正丁基苯混合物中正丁基苯的低温氧化化学：产物表征和动力学模型研究

-烷烃和芳烃是运输燃料中的两种重要成分，具有不同的氧化反应性。由于烷烃和芳烃氧化过程中产生的产物具有不同的化学官能度，相互作用动力学可能会显着影响整体反应性以及产物分布。这项工作研究了正癸烷和正丁基苯混合物的氧化化学，这两种碳氢化合物通常用作喷气燃料替代成分。实验在喷射搅拌反应器中进行，压力为 1 atm，温度范围为 450–850 K，当量比为 0.5、1.0 和 2.0。采用同步加速器真空紫外光电离质谱法检测了C-环醚、C-酮氢过氧化物、C-酮二氢过氧化物、C-二酮氢过氧化物、苄基氢过氧化物、甲基过氧自由基和甲基氢过氧化物等关键低温氧化中间体和自由基。在这项工作中，根据形态数据开发并验证了详细的动力学模型。结果表明，β-癸烷的反应通过有效地产生OH自由基等反应性自由基，大大增强了-丁基苯的低温氧化反应活性。此外，正丁基苯的反应对正癸烷的低温氧化反应也有抑制作用。测量的中间体，如C-环醚、C-酮氢过氧化物和C-酮二氢过氧化物，分别为验证第一、第二和第三个O-加成反应提供了实验证据。由于添加了正癸烷，芳香族中间体随温度的变化曲线与纯正丁基苯氧化的情况有很大不同。例如，低温下苯、苯酚和苯甲醛的形成显着增强，其摩尔分数呈现负温度系数行为。最后，分析了二元燃料生产CC烯烃、炔烃、醛、醇、酸和过氧化物的反应路径。