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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >OH, HO2, and ozone gaseous diffusion coefficients
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OH, HO2, and ozone gaseous diffusion coefficients

机译：OH，HO2和臭氧气体扩散系数

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摘要

The diffusion of OH, HO2, and O-3 in He, and of OH in air, has been investigated using a coated-wall flow tube reactor coupled to a chemical ionization mass spectrometry. The diffusion coefficients were determined from measurements of the loss of the reactive species to the flow tube wall as a function of pressure. On the basis of the experimental results, DOH-He = 662 +/- 33 Torr cm(2) s(-1), DOH-air = 165 +/- 20 Torr cm(2) s(-1), DHO2-He = 430 +/- 30 Torr cm(2) s(-1), and DO3-He = 410 +/- 25 Torr cm(2) s(-1) at 296 K. We show that the measured values for OH and HO2 are in better agreement with measured values of their polar analogues (H2O and H2O2) compared with measured values of their nonpolar analogues (O and O-2). The measured value for OH in air is 25% smaller than that for O (the nonpolar analogue). The difference between the measured value for HO2 and O-2 (the nonpolar analogue) in air is expected to be even larger. Also we show that calculations of the diffusion coefficients based on Lennard-Jones potentials are in excellent agreement with the measurements. This gives further confidence that these calculations can be used to estimate accurate diffusion coefficients for conditions where laboratory data currently do not exist.
机译：OH，HO2和O-3在He中的扩散以及OH在空气中的扩散已使用与化学电离质谱联用的涂层壁流管反应器进行了研究。扩散系数是通过测量反应性物质流向流量管壁的压力而确定的。根据实验结果，DOH-He = 662 +/- 33 Torr cm（2）s（-1），DOH-air = 165 +/- 20 Torr cm（2）s（-1），DHO2- He = 430 +/- 30 Torr cm（2）s（-1）和DO3-He = 410 +/- 25 Torr cm（2）s（-1）在296 K时。我们显示了OH的测量值与HO2和HO2的极性类似物（H2O和H2O2）的测量值相比，它们的非极性类似物（O和O-2）的测量值更一致。空气中OH的测量值比O（非极性类似物）的测量值小25％。空气中HO2和O-2（非极性类似物）的测量值之间的差异预计会更大。我们还表明，基于Lennard-Jones势的扩散系数计算与测量值非常吻合。这提供了更多的信心，即这些计算可用于估计当前不存在实验室数据的条件下的准确扩散系数。

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