Applied Physics
Vol. 09  No. 05 ( 2019 ), Article ID: 30200 , 7 pages
10.12677/APP.2019.95027

Theoretical Study of the Probabilities for the Reaction H + DBr (v = 0, j = 0) on the 12A' Potential Energy Surface

Yuliang Wang*, Hui Li, Dezhi Su, Mingyu Zhou

School of Basic Sciences for Aviation, Naval Aviation University, Yantai Shandong

Received: Apr. 25th, 2019; accepted: May 7th, 2019; published: May 14th, 2019

ABSTRACT

Quasi-classical trajectory calculations were carried out for H + DBr (v = 0, j = 0) over the collision energy range 0 - 2.0 eV on the 12A' potential energy surface. The probabilities for both the exchange and abstraction channels of the reaction at total angular momentum J = 0, 10, 20, 30, 40 are predicted in this work. The attack angle dependent probabilities of H + DBr at J = 0 are calculated. It was found that the influence of attack angle on the distribution of probabilities for both two channels is significant because of the different effective potential barrier heights at different attack angles.

Keywords:H + DBr Reaction, Attack Angle, Reaction Probability, Reaction Dynamics

1. 引言

2. 计算理论

Figure 1. The definition figure of the attack angle

3. 结果与讨论

Figure 2. Minimum energy pathways of abstraction for the collinear configuration

Figure 3. Comparison of integral cross section for abstraction between present work and other theoretical results in the text

Figure 4. The reaction probabilities for exchange channel at different J values

Figure 5. The reaction probabilities for abstraction channel at different J values

Figure 6. The attack angle dependent probability of exchange channel

Figure 7. The attack angle dependent probability of abstraction channel

4. 结论

Theoretical Study of the Probabilities for the Reaction H + DBr (v = 0, j = 0) on the 12A' Potential Energy[J]. 应用物理, 2019, 09(05): 226-232. https://doi.org/10.12677/APP.2019.95027

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NOTES

*通讯作者。