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

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

Energy, 2022, vol. 247, issue C

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.

Keywords: Combustion; N2O chemistry; NOx; Kinetics; Reaction (search for similar items in EconPapers)
Date: 2022
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Persistent link: https://EconPapers.repec.org/RePEc:eee:energy:v:247:y:2022:i:c:s0360544222003486

DOI: 10.1016/j.energy.2022.123445

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