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Kinetic Study of Low Temperature Oxidation of N-pentane with Nitric Oxide Addition in a Jet Stirred Reactor

机译:射流搅拌反应器中用一氧化氮加入低温氧化N-戊烷的动力学研究

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The low temperature oxidation of n-pentane with nitric oxide (NO) addition from 400K to 800K has been investigated in an atmospheric jet stirred reactor (JSR). The concentration of NO is varied from 0 to 1070ppm in the mixture to study its sensitization effect on the n-pentane oxidation. n-pentane, O_2, CO, CO_2, CH_2O, CH_2O, C_2H_4, CH_3CHO, H_2O_2, NO, and NO_2 are in-situ quantified by using the molecular beam mass spectrometer (MBMS), micro-gas chromatography (μ-GC), and the transportable dual-modulation faraday rotation spectrometer (DM-FRS) simultaneously. The experimental results reveal that the presence of NO inhibits and promotes the oxidation of n-pentane at lower and higher temperatures, respectively, and has a significant effect on the oxidation initiation temperature and negative temperature coefficient (NTC) behavior of n-pentane. A new NO sensitized n-pentane mechanism, consists of a existing n-pentane base mechanism with an appropriate addition of our NO_x sub-mechanism, is developed and refined to predict the experimental results. The key features of NO sensitized n-pentane oxidation are captured in the model and the kinetic effect of NO sensitization is detailed analyzed with varied temperatures.
机译:在大气喷射搅拌的反应器(JSR)中,研究了用一氧化氮(NO)的N-戊烷的低温氧化(NO)加入400K至800K。在混合物中,NO的浓度在0至1070ppm中变化,以研究其对正戊烷氧化的敏化作用。 N-戊烷,O_2,CO,CO_2,CH_2O,CH_2O,C_2H_4,CH_3CHO,H_2O_2,NO和NO_2通过使用分子束质谱仪(MBMS),微气相色谱(μ-GC),和可运输的双调制法拉第旋转光谱仪(DM-FRS)同时。实验结果表明,在较低且较高温度下,不抑制并促进正戊烷的氧化,并对正戊烷的氧化起始温度和负温度系数(NTC)行为具有显着影响。一种新的NO致敏的正戊烷机制,由现有的N-戊烷基机制组成,具有适当添加我们的NO_X子机制,开发并精制预测实验结果。在模型中捕获没有敏化的正戊烷氧化的关键特征,并且通过变化的温度分析了没有敏化的动力学效果。

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