Acta Chimica Sinica ›› 2001, Vol. 59 ›› Issue (6): 867-870. Previous Articles     Next Articles

Original Articles

铀与氢初始反应产物形成热力学的理论研究

帅茂兵;王欣;武胜;赵鹏骥   

  1. 中国工程物理研究院;四川大学化学学院
  • 发布日期:2001-06-15

Theoretical research on the formation thermodynamics of several uranium hydride molecules

Shuai Maobing;Wang Xin;Wu Sheng;Zhao Pengji   

  • Published:2001-06-15

The formation enthalpies of some possible primary reaction products ofuranium atom with hydrogen isotope molecule or atom were calculated based on the molecular geometry optimizations using ab initio method. Hypothetical reaction processes were studied thermodynamically. Possible formation mechanisms of some uranium hydrides were introduced theoretically.

Key words: URANIUM, HYDROGEN ISOTOPES, THERMODYNAMICS, ENTHALPY, AB INITIO CALCULATION

CLC Number: