A chemically consistent rate constant for the reaction of nitrogen dioxide with the oxygen atom

Author:

Li Yan12345ORCID,Javoy Sandra6789ORCID,Mevel Remy110345ORCID,Xu Xuefei12345ORCID

Affiliation:

1. Center for Combustion Energy

2. Department of Energy and Power Engineering, and Key Laboratory for Thermal Science and Power Engineering of Ministry of Education

3. Tsinghua University

4. Beijing 100084

5. China

6. University of Orléans

7. Department of Chemistry

8. 45067 Orléans Cedex 02

9. France

10. School of Vehicle and Mobility, and State Key Laboratory for Automotive Safety and Energy

Abstract

In the present study, a chemically consistent rate constant for the reaction between nitrogen dioxide and the oxygen atom has been obtained by combining low-temperature experimental data from the literature and new high-temperature quantum chemical calculations.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference85 articles.

1. J. Seinfeld and S.Pandis , Atmospheric chemistry and physics, From air pollution to climate change , John Wiley & Sons, Inc , Canada , 1998 , p. 1326

2. Ab initio quantum chemical predictions of enthalpies of formation, heat capacities, and entropies of gas-phase energetic compounds

3. Effects of NO2 addition on hydrogen ignition behind reflected shock waves

4. M. Slack and A.Grillo , Investigation of hydrogen-air ignition sensitized by nitric dioxide , National aeronautics and space administration technical report , 1977

5. Rate coefficients for H2 + NO2 = HNO2 + H derived from shock tube investigations of H2O2NO2 ignition☆

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