Estimation of rate coefficients and branching ratios for gas-phase reactions of OH with aromatic organic compounds for use in automated mechanism construction

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

doi:https://doi.org/10.5194/acp-18-9329-2018

Articles | Volume 18, issue 13

https://doi.org/10.5194/acp-18-9329-2018

© Author(s) 2018. This work is distributed under
the Creative Commons Attribution 4.0 License.

https://doi.org/10.5194/acp-18-9329-2018

© Author(s) 2018. This work is distributed under
the Creative Commons Attribution 4.0 License.

Articles | Volume 18, issue 13

Research article

|

04 Jul 2018

Research article |

| 04 Jul 2018

Estimation of rate coefficients and branching ratios for gas-phase reactions of OH with aromatic organic compounds for use in automated mechanism construction

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

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Final revised paper (published on 04 Jul 2018)
Supplement to the final revised paper
Preprint (discussion started on 19 Feb 2018)
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

RC1: 'Review of Jenkin et al. aromatic reaction estimation', Anonymous Referee #1, 15 Mar 2018
RC2: 'Review of Estimation of rate coefficients and branching ratios for gas-phase reactions of OH with aromatic organic compounds for use in automated mechanism construction', Anonymous Referee #2, 21 Mar 2018
SC1: 'The mechanism of aromatic oxidation: thoughts based on theoretical and experimental data, with alternative reduced mechanism', Luc Vereecken, 16 Apr 2018
AC1: 'Author response to referee and discussion comments', Mike Jenkin, 28 May 2018

Peer-review completion

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

AR by Mike Jenkin on behalf of the Authors (02 Jun 2018) Author's response Manuscript

ED: Publish as is (06 Jun 2018) by Andreas Hofzumahaus

AR by Mike Jenkin on behalf of the Authors (13 Jun 2018)

Short summary

Organic compounds are emitted in large quantities from natural and human-influenced sources. Removal from the atmosphere occurs mainly by reaction with hydroxyl (OH) radicals, and initiates reaction sequences forming pollutants such as ozone and organic particles. Due to their very large number, it is impossible to measure the removal rate for all compounds, and most have to be estimated. An updated and extended estimation method is reported for use in atmospheric models and impact assessments.