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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Shock Tube Study of the Oxidation of C_3F_6 by N_2O
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Shock Tube Study of the Oxidation of C_3F_6 by N_2O

机译：N_2O氧化C_3F_6的激波管研究

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The kinetics of the high-temperature oxidation of C_3F_6 by O(~3P) have been studied by experiment, using a single-pulse shock tube, and by kinetic modeling. The O atoms were generated by the thermal decomposition of N_2O. Three mixtures, each diluted in argon, were studied: 0.6 mol % of C_3F_6 with 1.5 mol % N_2O; 6.2 mol % of C_3F_6 with 0.6 mol % of N_2O; and 6.3 mol % of C_3F6. The temperatures were in the range 1300-1600 K, the residence times behind the reflected shock were in the range 550-850 us, and the pressures were between 16 and 20 atm. Fluorinated products have been quantified with gas chromatography, oxidized products with Fourier transform infrared spectroscopy; identification of unknown fluorocarbons has been performed with gas chromatography-mass spectrometry. The most significant products detected were C_2F_6, C_2F_4, CF_2O, CO, CO_2, and CF_4. A detailed kinetic scheme is presented to model the experimental reactant and product yields as a function of temperature. Modeling showed that O-addition to either carbon of the double bond of C_3F_6 occurs. The rate constant for O-addition to the terminal carbon of the double bond, C_3F_6 + O(~3P)-> ~3CF_3CF + CF_2O, was deduced to be k_(71) = 10~(12.7)T~(0.05) exp(-0.4 kJ mol~(-1)/RT) cm~3 mol~(-1) s~(-1), and for addition to the central carbon, C_3F_6 + O(~3P) -> CF_3 + CF_2CF velence O, k_(72) =10~(12.5) cm~3 mol~(-1) s~(-1). Under oxidizer-rich conditions, ignition of the C_3F_6 occurred. Rate of production analyses showed that ignition was propagated by an F atom chain involving the CF_2 + O and unimolecular CFO decomposition reactions. Under C_3F_6-rich conditions, single- and double-bond pyrolysis were the important destruction routes.
机译：使用单脉冲激波管通过实验和动力学模型研究了O（〜3P）对C_3F_6高温氧化的动力学。 O原子是由N_2O的热分解产生的。研究了每种均用氩气稀释的三种混合物：0.6 mol％的C_3F_6和1.5 mol％的N_2O; 6.2摩尔％的C_3F_6与0.6摩尔％的N_2O;和6.3mol％的C_3F6。温度在1300-1600 K范围内，反射冲击后的停留时间在550-850 us范围内，压力在16至20 atm之间。氟化产物已用气相色谱定量，氧化产物已用傅立叶变换红外光谱法定量;未知碳氟化合物的鉴定已通过气相色谱-质谱联用进行。检测到的最重要的产物是C_2F_6，C_2F_4，CF_2O，CO，CO_2和CF_4。提出了详细的动力学方案以模拟实验反应物和产物产率随温度的变化。模拟表明，C_3F_6双键中的一个碳都发生了O加成。将O加成双键末端碳的速率常数C_3F_6 + O（〜3P）->〜3CF_3CF + CF_2O推导为k_（71）= 10〜（12.7）T〜（0.05）exp （-0.4 kJ mol〜（-1）/ RT）cm〜3 mol〜（-1）s〜（-1），除中心碳外，C_3F_6 + O（〜3P）-> CF_3 + CF_2CF velence O，k_（72）= 10〜（12.5）cm〜3 mol〜（-1）s〜（-1）。在富含氧化剂的条件下，发生了C_3F_6的点火。生产率分析表明，点燃是通过涉及CF_2 + O和单分子CFO分解反应的F原子链传播的。在富含C_3F_6的条件下，单键和双键热解是重要的破坏途径。

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