Journal of the Korean Chemical Society (대한화학회지)

Korean Chemical Society (대한화학회)
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Theoretical Researches of Kinetics and Anharmonic Effect for the Reactions Related to NO in the Ozone Denitration Process

  • Received : 2021.02.02
  • Accepted : 2021.03.05
  • Published : 2021.06.20
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Abstract

For studying the reaction mechanism of the reactions related to NO in the ozone denitration reactions, the harmonic and anharmonic rate constants were calculated by the transition state (TS) theory and Yao and Lin (YL) method. According to above calculations, the reactions of NO with O3 and NO3 play an essential role, and the kinetic parameters considering anharmonic effect were fitted. Furthermore, the rate constants were up as temperature increasing, and the tendencies of high temperature were more gradual than the low temperature. The research will provide theoretical basis for the ozone denitration reactions.

Keywords

Acknowledgement

This work was supported by the Major Research plan of the National Natural Science Foundation of China (Grant No.91441132). And the Publication cost of this paper was supported by the Korean Chemical Society.

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