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OH initiated oxidation of 1,3-butadiene in the presence of O_2 and NO

机译:在O_2和NO存在下OH引发1,3-丁二烯的氧化

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摘要

The OH radical initiated oxidation of 1,3-butadiene was studied under high NOx conditions by the LP-LIF method. We report a rate constant of (7.0 ± 0.3) × 10~(-11) s~(-1) molecule~(-1) cm ~3 for OH addition to 1,3-butadiene which agrees well with values reported previously. Based on the analysis of OH cycling data combined with results of earlier isomeric selective studies, we have determined a branching ratio for the major hydroxy alkyl channel to be 0.87 ± 0.08. Using this branching ratio, we have predicted the end product distribution for OH radical initiated oxidation of 1,3-butadiene and provide a condensed chemical mechanism. This study synthesizes previous work on OH initiated1,3-butadiene oxidation under high NOx conditions.
机译:通过LP-LIF方法研究了在高NOx条件下OH自由基引发的1,3-丁二烯的氧化。我们报道了在1,3-丁二烯中添加OH的速率常数为(7.0±0.3)×10〜(-11)s〜(-1)分子〜(-1)cm〜3,这与先前报道的值非常吻合。基于对OH循环数据的分析以及较早的异构体选择性研究的结果,我们确定了主要羟烷基通道的支化比为0.87±0.08。使用该支化比,我们已经预测了OH自由基引发的1,3-丁二烯氧化的最终产物分布,并提供了一个浓缩的化学机理。这项研究综合了以前在高NOx条件下OH引发的1,3-丁二烯氧化的工作。

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