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首页> 外文会议>Spring Technical Meeting of the Eastern States Section of the Combustion Institute >Flow Reactor Measurements and Kinetic Modeling of Nitrogen Oxides (NO_x) Perturbed Synthetic Natural Gas Oxidation
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Flow Reactor Measurements and Kinetic Modeling of Nitrogen Oxides (NO_x) Perturbed Synthetic Natural Gas Oxidation

机译：氮氧化物的流量反应器测量和动力学建模（NO_X）扰动合成天然气氧化

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摘要

The influence of trace (～25 ppm) nitrogen oxides (NO_x) on promoting reactivity of the post-induction oxidation of a 98% methane + 2% ethane synthetic natural gas blend has been experimentally studied in a high pressure laminar flow reactor (HPLFR) at 10±0.2 atm, 819±5 K, and equivalence ratios of Φ = 0.5, 1.0, and 2.0. Each set of experimental measurements was subsequently simulated using different existing C_0-C_2+NO_x kinetic models. Predicted interactions between NO_x and C_0-C_2 chemistry sub-models varies significantly among these kinetic models both in terms of qualitative (mechanistic) and quantitative character. The present experiments along with respective simulations suggest that the often cited reaction CH_3 + NO_2 <-> CH_3O + NO incompletely describes NO_x coupling to the pool of reactive fuel fragments at relatively higher pressures and lower temperatures. Instead, the increasing importance of chemistry related to methylperoxy (CH_3O_2) and nitromethane (CH_3NO_2) is highlighted. Frequently used kinetic models that lack (accurate) CH_3O_(2)- and CH_3NO_2-related sub-models predict trends in overall reactivity and NO_x mole fractions that vary from quantitatively distorted to qualitatively incorrect. Such inconsistencies may lead to erroneous interpretation/consequences for engine design/evaluation computations, particularly in a "single digit" ppm NO_x regulatory environment.
机译：在高压层流反应器（HPLFR）中，实验研究了痕量（约25ppm）氮氧化物（NO_X）对98％甲烷+ 2％乙烷合成天然气混合物的诱导后氧化反应性的影响在10±0.2atm，819±5 k和φ= 0.5,1.0和2.0的等效比率。随后使用不同现有的C_0-C_2 + NO_X动力学模型进行每组实验测量。在定性（机械）和定量性质方面，NO_X和C_0-C_2化学子模型之间的预测相互作用在这些动力学模型中变化显着。本实验以及各自的模拟表明，经常引用的反应CH_3 + NO_2 < - > CH_3O + NO不完全描述在相对较高的压力和较低温度下的反应性燃料片段中的NO_X耦合。相反，突出了与甲基氧化（CH_3O_2）和硝基甲烷（CH_3NO_2）的化学的重要性。通常使用缺乏（准确）CH_3O_（2） - 和CH_3NO_2相关子模型的常用动力学模型预测总反应性的趋势和NO_X摩尔分数，其因定量变形而变化到定性不正确。此类不一致可能导致发动机设计/评估计算的错误解释/后果，特别是在“单位数字”PPM No_X监管环境中。

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