Acta Phys. -Chim. Sin. ›› 2003, Vol. 19 ›› Issue (10): 974-977.doi: 10.3866/PKU.WHXB20031019
• Note •
Si Wei-Jiang;Zhuo Shu-Ping;Ju Guan-Zhi
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,
Thermodynamic and kinetic investigations
Si Wei-Jiang;Zhuo Shu-Ping;Ju Guan-Zhi. Thermodynamic and Kinetic Investigations on NH＋O3→ONH＋O2 Reaction[J].Acta Phys. -Chim. Sin., 2003, 19(10): 974-977.
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