物理化学学报 >> 1996, Vol. 12 >> Issue (04): 361-364.doi: 10.3866/PKU.WHXB19960415

研究简报 上一篇    下一篇

CF3C(O)F水合作用的热力学和动力学理论研究

孙利鹏,马骜,王沂轩,刘成卜   

  1. 山东大学化学院,济南 250100
  • 收稿日期:1995-07-11 修回日期:1995-09-11 发布日期:1996-04-15
  • 通讯作者: 刘成卜

Thermodynamic and Kinetic Study of Gas-phase Hydrolysis of CF3C(O)F to CF3COOH

Sun Li-Peng,Ma Ao,Wang Yi-Xuan,Liu Cheng-Bu   

  1. College of Chemistry,Shandong University,Jinan 250100
  • Received:1995-07-11 Revised:1995-09-11 Published:1996-04-15
  • Contact: Liu Cheng-Bu

关键词: 热力学, 动力学, CF3C(O)F, 水合作用

Abstract:

Based on the ab initio calculated results, the thermodynamic functions and kinetic parameters of the gas-phase hydrolysis of CF3C(O)F to CF3COOH have been calculated in the temperature range 200-1500 K with statistical thermodynamic method and Eyring’s transition state theory. The heat capacities of some important species ocurring in the reactions have been calculated and fitted in the formula (a + bT + cT2 + dT3 + eT4).

Key words: Thermodynamics, Kinetics, CF3C(O)F, Gas-phase hydrolysis