Estimation of rate coefficients and branching ratios for reactions of organic peroxy radicals for use in automated mechanism construction

Jenkin, Michael E.; Valorso, Richard; Aumont, Bernard; Rickard, Andrew R.

doi:https://doi.org/10.5194/acp-19-7691-2019

Articles | Volume 19, issue 11

https://doi.org/10.5194/acp-19-7691-2019

© Author(s) 2019. This work is distributed under
the Creative Commons Attribution 4.0 License.

https://doi.org/10.5194/acp-19-7691-2019

© Author(s) 2019. This work is distributed under
the Creative Commons Attribution 4.0 License.

Articles | Volume 19, issue 11

Research article

|

07 Jun 2019

Research article |

| 07 Jun 2019

Estimation of rate coefficients and branching ratios for reactions of organic peroxy radicals for use in automated mechanism construction

Michael E. Jenkin, Richard Valorso, Bernard Aumont, and Andrew R. Rickard

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Final revised paper (published on 07 Jun 2019)
Supplement to the final revised paper
Preprint (discussion started on 05 Feb 2019)
Supplement to the preprint

Interactive discussion

Status: closed

AC: Author comment | RC: Referee comment | SC: Short comment | EC: Editor comment

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- Supplement

SC1: 'New experimental data on RO2 cross-reactions', Barbara Noziere, 27 Feb 2019
- AC1: 'Response to comment by Barbara Nozière', Mike Jenkin, 04 Mar 2019
  - SC2: 'About uncertainties on RO2 reaction rate constants', Barbara Noziere, 07 Mar 2019
    - SC3: 'Response to comment SC2 by Barbara Nozière', Mike Jenkin, 12 Mar 2019
RC1: 'Referee comment', Anonymous Referee #1, 05 Mar 2019
RC2: 'Referee Report - Paul Wennberg', Paul O. Wennberg, 08 Mar 2019
- RC3: 'Nitrate yields: carbon number versus CON number versus heavy atom number', Luc Vereecken, 01 Apr 2019
  - RC4: 'Referee Report - comment on alkyl nitrate yields', Geoffrey Tyndall, 03 Apr 2019
AC2: 'Authors' responses to referee and discussion comments', Mike Jenkin, 27 Apr 2019

Peer-review completion

AR: Author's response | RR: Referee report | ED: Editor decision

AR by Mike Jenkin on behalf of the Authors (27 Apr 2019) Author's response Manuscript

ED: Publish as is (12 May 2019) by Dwayne Heard

AR by Mike Jenkin on behalf of the Authors (14 May 2019) Manuscript

Short summary

Organic compounds are emitted in large amounts from natural and human-influenced sources. Peroxy radicals are key intermediates formed during oxidation of organic compounds, and play a central role in mechanisms forming pollutants such as ozone and organic particles. Due to the large number of different peroxy radicals formed, it is impossible to study the rates of all of their reactions, and most have to be estimated. Updated and new estimation methods are reported for use in atmospheric models