计算物理 ›› 2014, Vol. 31 ›› Issue (2): 230-236.

• 论文 • 上一篇    下一篇

UF6振动激发态分子的振动-振动驰豫

张云光, 宋海洋   

  1. 西安邮电大学理学院, 西安 710121
  • 收稿日期:2013-03-04 修回日期:2013-08-07 出版日期:2014-03-25 发布日期:2014-03-25
  • 作者简介:张云光(1982-),男,陕西西安,博士,讲师,主要从事分子结构与分子光谱研究,E-mail:zygsr2010@gmail.com
  • 基金资助:
    陕西省青年科技新星计划项目(2012kjxx-39);陕西省教育厅科研计划项目(2013JK0625)资助

Vibration-vibration Relaxation of UF6 Vibrationally Excited Molecules

ZHANG Yunguang, SONG Haiyang   

  1. School of Science, Xi'an University of Posts and Telecommunications, Xi'an 710121, China
  • Received:2013-03-04 Revised:2013-08-07 Online:2014-03-25 Published:2014-03-25

摘要: 将振动态能量碰撞转移较成熟的长程力理论应用到大质量分子体系,采用准经典计算方法建立235UF6238UF6同位素分子的碰撞理论;对235UF6238UF6同位素间分子间v3振动能量近共振碰撞转移过程进行研究;得到共振函数随能量差、共振转移概率和共振转移速率随温度的变化,发现它们随温度的增大而减小,说明碰撞分子的平动会降低其共振转移概率和速率,为控制235UF6238UF6同位素分子间振动-振动转移引起的选择性损失这个激光光化学法分离铀同位素的关键问题提供理论依据,为实际分离铀同位素提供参考.

关键词: 长程力理论, 共振转移概率, 共振转移速率, UF6

Abstract: Mature long distance theory of vibration energy collision metastasis was applied to massive molecular system. A collision theory of 235UF6 and 238UF6 isotope molecules was established with quasiclassical method. v3 vibration energy near resonant energy transfer process of 235UF6 and 238UF6 isotope molecules was studied. Resonance functions of energy difference,resonance transfer probability and resonance transfer rate as functions of temperature were obtained. It shows that they decrease with increase of temperature. Collision molecular translation decreases resonance transition probability and rate. It provides a theoretical basis for controlling selective loss processes caused by vibration-vibration transfer. It provides a reference for separation of uranium isotopes.

Key words: long distance theory, resonance transfer probability, resonance transfer rate, UF6

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