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首页> 外文期刊>Kinetics and catalysis >Modeling of the Effect of Halogen Ions Adsorbed on the Surface of a Reactor in a Complex with Water Molecules upon the Chain Oxidation of Propane
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Modeling of the Effect of Halogen Ions Adsorbed on the Surface of a Reactor in a Complex with Water Molecules upon the Chain Oxidation of Propane

机译：丙烷链氧化络合物中反应器表面对反应器表面卤素离子的影响

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摘要

The influence of polar particle centers, in particular, halogen ions adsorbed on the surface of a reactor, and water molecules present in pores and microcracks on the reactor surface on the low-temperature oxidation of hydrogen and organic compounds was simulated. Within the framework of a proposed model, it was shown by appropriate calculations that the presence of the above particles in the near-surface layer promotes the conversion of H(2)O(2)molecules (an intermediate product of the oxidation of hydrogen and organic compounds) into ozone molecules. The presence of ozone molecules in the reaction system can cause changes in the reaction mechanism and thermal regime of the occurring chain process, in particular, the appearance of a pulsation process mode or burst of radiation in the reactor due to abrupt temperature fluctuations. The experimentally observed pulsation changes in the radiation of the reaction medium during the oxidation of propane under conditions of increasing the reactor pressure were explained.
机译：尤其是吸附在反应器表面上的卤素离子的影响，以及在氢气和有机化合物的低温氧化的反应器表面上存在的孔和微裂纹中的水分子。在拟议模型的框架内，通过适当的计算显示，近表面层中上述颗粒的存在促进H（2）O（2）分子的转化（氢气的氧化的中间产物）的转化率有机化合物）进入臭氧分子。反应系统中臭氧分子的存在会导致发生链过程的反应机理和热调节的变化，特别是由于突然的温度波动，反应器中的脉动过程模式或辐射突发的外观。解释了在增加反应器压力的丙烷氧化过程中反应介质辐射的实验观察到的脉动变化。

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