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Improvement of kinetic parameters and modeling of the N2O chemical reaction in combustion

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  • Liu, Songlin
  • Fan, Weidong
  • Wang, Xin
  • Chen, Jun
  • Guo, Hao

Abstract

N2O is a significant nitrogen oxide and an important precursor of NO formation. It plays a vital role in understanding the formation and control of nitrogen oxides. Research on the N2O reaction mechanism model is relatively scarce compared to that on NO. This work further supplements the N2O reaction mechanism model based on previous research on NOx. The rate constant and activation energy of the N2O elementary reaction were re-evaluated through comparative analysis of kinetic parameters and experimental parameters in a large number of studies, and the elementary reaction involving N2O was improved by a sufficient comparative analysis through several sets of experimental data. The kinetic parameters of N2O + M⇌N2 + O + M were updated, and the third-body enhancement factor of CO2, H2O and O2 for unimolecular reactions were determined to be 2.0, 6.0, and −4.0, respectively. The rate coefficients of N2O + O⇌NO + NO and N2O + O⇌N2+ O2 were revalued according to the triple relationship. The NH mechanism of N2O formation is in good agreement with the experimental results, which follows the previous parameter selection. The Pre-exponential factor of HCN + O⇌NCO + H was revalued to be 2.4E5 cm3mol−1s−1. These results provide a reference for follow-up related research on N2O and nitrogen oxides.

Suggested Citation

  • Liu, Songlin & Fan, Weidong & Wang, Xin & Chen, Jun & Guo, Hao, 2022. "Improvement of kinetic parameters and modeling of the N2O chemical reaction in combustion," Energy, Elsevier, vol. 247(C).
  • Handle: RePEc:eee:energy:v:247:y:2022:i:c:s0360544222003486
    DOI: 10.1016/j.energy.2022.123445
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    References listed on IDEAS

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    1. Fan, Weidong & Li, Yu & Guo, Qinghong & Chen, Can & Wang, Yong, 2017. "Coal-nitrogen release and NOx evolution in the oxidant-staged combustion of coal," Energy, Elsevier, vol. 125(C), pages 417-426.
    2. Liu, Songlin & Fan, Weidong & Guo, Hao & Wu, Xiaofeng & Chen, Jun & Liu, Zhuang & Wang, Xin, 2020. "Relationship between the N2O decomposition and NO formation in H2O/CO2/NH3/NO atmosphere under the conditions of simulated air-staged combustion in the temperature interval of 900–1600 °C," Energy, Elsevier, vol. 211(C).
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    Keywords

    Combustion; N2O chemistry; NOx; Kinetics; Reaction;
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