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Citation: Si Wei-Jiang, Zhuo Shu-Ping, Ju Guan-Zhi. Thermodynamic and Kinetic Investigations on NH＋O₃→ONH＋O₂ Reaction[J]. Acta Physico-Chimica Sinica, ;2003, 19(10): 974-977. doi: 10.3866/PKU.WHXB20031019 shu

Thermodynamic and Kinetic Investigations on NH＋O₃→ONH＋O₂ Reaction

1.
School of Chemical Engineering, Shandong University of Technology, Zibo　255093; State Key Laboratory of Coordination Chemistry, Nanjing University, Nanjing　210093

Received Date: 4 April 2003
Available Online: 15 October 2003

Based on quantum chemical calculation, the thermodynamic data and equilibrium constant of the NH＋O3→ONH＋O2 reaction are calculated using the statistical theory at 100～1600 K. On the basis of Eyring transition state theory with Wigner correction, the activation thermodynamic data, rate constant, and frequency factors of both reaction channels are obtained from 100 to 1600 K. The results show that, compared to reaction channel II, reaction channel I of the reaction between active free radical NH and ozone O3 is not only spontaneous but also easy to take place kinetically.
- NH active free radical;Ozone O₃;Thermodynamic and kinetic investigations
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Thermodynamic and Kinetic Investigations on NH＋O3→ONH＋O2 Reaction

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通讯作者: 陈斌, bchen63@163.com

Thermodynamic and Kinetic Investigations on NH＋O₃→ONH＋O₂ Reaction