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首页> 外文期刊>International Journal of Chemical Kinetics >The Reaction of Cyclohexane with H-Atoms: A Shock Tube and Modeling Study
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The Reaction of Cyclohexane with H-Atoms: A Shock Tube and Modeling Study

机译：环己烷与H原子的反应：激波管和建模研究

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摘要

The present work deals with experimental investigations on the bimolecular reaction of H-atoms with cyclohexane (cC6H_(12)). Iodoethane (C2H5I) was used as an in situ source for H-atoms to investigate the bimolecular reaction. As the reaction of cCeH_(12) with H-atoms yields H2 and cyclohexyl radicals (cC6H_(11)), the mechanism of the thermal decomposition of cC6H_(11) is of fundamental importance for the interpretation of the experiments. Therefore, also the thermal decomposition of l-hexene-6-yl (I6-C6H_(11)) was analyzed due to the assumption that cC6H_(12) almost exclusively isomerizes to 16-C6H_(11). 6-Iodo-1-hexene (16-C6H_(11)I) was used as a precursor molecule for the generation of 16-C6H_(11) radicals. The experiments were carried out in a stainless steel shock tube. For the reaction of cC6H_(12) molecules with H-atoms, the measurements were performed over a temperature range of 1050-1190 K, at pressures ranging from 1.8 to 2.5 bar; the 16-C6H_(11)I experiments were carried out at temperatures between 1060 and 1160 K and pressures around 2.0 bar. Behind reflected Shockwaves, the H-atom absorption was monitored by atomic resonance absorption spectrometry at the Lyman-α line (121.6 nm). The experiments reveal important aspects about the thermal dissociation of cyclohexyl radicals (cC6H_(11)). Concerning the reaction cC6H_(12) + H→ cC6H_(11) + H2 (R1), a rate coefficient expression was derived: k_(R1)(T) = 6.3 x 10~(13) exp(-2505 K/T) cm~3 mol~(-1)s~(-1).
机译：本工作涉及H原子与环己烷（cC6H_（12））的双分子反应的实验研究。碘乙烷（C2H5I）被用作H原子的原位来源以研究双分子反应。由于cCeH_（12）与H原子的反应会产生H2和环己基自由基（cC6H_（11）），因此cC6H_（11）的热分解机理对于解释实验至关重要。因此，由于cC6H_（12）几乎仅异构化为16-C6H_（11）的假设，还分析了1-己烯-6-基（I6-C6H_（11））的热分解。 6-碘-1-己烯（16-C6H_（11）I）被用作生成16-C6H_（11）自由基的前体分子。实验在不锈钢减震管中进行。对于cC6H_（12）分子与H原子的反应，在1050至1190 K的温度范围内，压力为1.8至2.5 bar的条件下进行测量。 16-C6H_（11）I实验是在1060至1160 K之间的温度和约2.0 bar的压力下进行的。在反射的冲击波后面，通过原子共振吸收光谱法在Lyman-α线（121.6 nm）处监测H原子吸收。实验揭示了有关环己基自由基（cC6H_（11））的热解离的重要方面。关于反应cC6H_（12）+ H→cC6H_（11）+ H2（R1），得出了速率系数表达式：k_（R1）（T）= 6.3 x 10〜（13）exp（-2505 K / T） cm〜3 mol〜（-1）s〜（-1）。

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