Selective vibrational pumping of molecular hydrogen via gas phase atomic recombination.
Selective vibrational pumping of molecular hydrogen via gas phase atomic recombination.
复制标题
通过气相原子重组选择性振动泵浦分子氢。
DOI：
10.1021/jp9061829
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发表时间：
2009
期刊：
影响因子：
--
通讯作者：
M. Capitelli
中科院分区：
文献类型：
--
作者：
F. Esposito;M. Capitelli
用三体动力学和轨道共振理论计算研究了由原子复合形成振转激发态氢分子的过程。在经典力学框架中的两种方法中的每一种都被用于所有的计算，它们似乎是互补的而不是完整的，在低温区域具有相似的值，并且在温度高于约1000 K时三体动力学占主导地位。这两个贡献的总和似乎与文献中的可用数据相当吻合。强调了总复合对温压比的依赖性。详细介绍了向振转态的重组，并提供了大量证据证明旋转在最终产物中的重要性。与气体表面复合意味着只有物理吸附的分子比较，在T = 5000 K时显示出近似的相似性，相反，在较低的温度下不同。
Formation of rovibrational excited molecular hydrogen from atomic recombination has been computationally studied using three body dynamics and orbiting resonance theory. Each of the two methods in the frame of classical mechanics, that has been used for all of the calculations, appear complementary rather than complete, with similar values in the low temperature region, and predominance of three body dynamics for temperatures higher than about 1000 K. The sum of the two contributions appears in fairly good agreement with available data from the literature. Dependence of total recombination on the temperature over pressure ratio is stressed. Detailed recombination toward rovibrational states is presented, with large evidence of importance of rotation in final products. Comparison with gas-surface recombination implying only physiadsorbed molecules shows approximate similarities at T = 5000 K, being on the contrary different at lower temperature.