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Numerical Study of the Simultaneous Oxidation of NO and SO2 by Ozone

机译:臭氧同时氧化NO和SO2的数值研究

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摘要

This study used two kinetic mechanisms to evaluate the oxidation processes of NO and SO2 by ozone. The performance of the two models was assessed by comparisons with experimental results from previous studies. The first kinetic mechanism was a combined model developed by the author that consisted of 50 species and 172 reactions. The second mechanism consisted of 23 species and 63 reactions. Simulation results of both of the two models show under predictions compared with experimental data. The results showed that the optimized reaction temperature for NO with O3 ranged from 100~200 °C. At higher temperatures, O3 decomposed to O2 and O, which resulted in a decrease of the NO conversion rate. When the mole ratio of O3/NO was greater than 1, products with a higher oxidation state (such as NO3, N2O5) were formed. The reactions between O3 and SO2 were weak; as such, it was difficult for O3 to oxidize SO2.
机译:这项研究使用了两种动力学机制来评估臭氧对NO和SO2的氧化过程。通过与先前研究的实验结果进行比较,评估了这两种模型的性能。第一个动力学机制是作者开发的组合模型,该模型包含50种和172个反应。第二种机制由23种和63个反应组成。与实验数据相比,这两个模型的仿真结果均显示出预测不足。结果表明,NO与O3的最佳反应温度为100〜200°C。在更高的温度下,O3分解为O2和O,这导致NO转化率降低。当O 3 / NO的摩尔比大于1时,形成具有较高氧化态的产物(例如NO 3,N 2 O 5)。 O3和SO2之间的反应较弱;因此,O3很难氧化SO2。

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