Selective Vibrational Pumping of Molecular Hydrogen via Gas Phase Atomic Recombination

被引：38

作者：

Esposito, Fabrizio ^{[1
]}

Capitelli, Mario ^{[1
,2
]}

机构：

[1] CNR, Ist Metodol Inorgan & Plasmi, I-70126 Bari, Italy

[2] Univ Bari, Dipartimento Chim, I-70126 Bari, Italy

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 2009年 / 113卷 / 52期

关键词：

CLASSICAL DYNAMICS; DISSOCIATION; EXCITATION; KINETICS; 3-BODY; RATES; STATES; H-2;

D O I：

10.1021/jp9061829

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页码：15307 / 15314

页数：8

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