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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Flow-Tube Investigation of the High-Temperature Reaction between BCl_3 and NH_3
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Flow-Tube Investigation of the High-Temperature Reaction between BCl_3 and NH_3

机译：BCl_3与NH_3高温反应的流管研究

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The reaction between BCl_3 and NH_3 to produce dichloroboramine (Cl_2BNH_2) and HCl was probed using a flow-tube reactor interfaced to a molecular-beam mass-sampling system. A composite method that couples the detailed simulation of the fluid mechanics and chemical reactions occurring in the flow tube to an algorithm for nonlinear least-squares optimization was used to extract the kinetic parameters from the experiment. The rate constant for this gas-phase reaction is k (cm~3 mol~(-1) s~(-1)) = 4.21 * 10~(11) exp[-(8350 cal mol~(-1))/(RT)] with an estimated uncertainty of 10-15% over the temperature range 670-920 K. The results indicate that surface reactions involving BCl_3 and NH_3 occur in the flow tube, but their contributions to the observed chemical behavior of the system can be quantified and therefore do not affect the kinetic measurements reported here. In addition, the low-energy barrier to this gas-phase reaction has important implications for the chemical vapor deposition of boron nitride from BCl_3 and NH_3.
机译：使用连接到分子束质量采样系统的流管反应器探测BCl_3和NH_3之间产生二氯硼胺（Cl_2BNH_2）和HCl的反应。使用一种将流管中发生的流体力学和化学反应的详细模拟与非线性最小二乘法优化算法相结合的复合方法，从实验中提取动力学参数。该气相反应的速率常数为k（cm〜3 mol〜（-1）s〜（-1））= 4.21 * 10〜（11）exp [-（8350 cal mol〜（-1））/ （RT）]，在670-920 K的温度范围内估计不确定度为10-15％。结果表明，涉及BCl_3和NH_3的表面反应在流量管中发生，但它们对观察到的系统化学行为的贡献可以被量化，因此不影响此处报道的动力学测量。此外，这种气相反应的低能垒对BCl_3和NH_3中氮化硼的化学气相沉积具有重要意义。

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