Articles | Volume 22, issue 9
Research article
11 May 2022
Research article |  | 11 May 2022

Estimation of mechanistic parameters in the gas-phase reactions of ozone with alkenes for use in automated mechanism construction

Mike J. Newland, Camille Mouchel-Vallon, Richard Valorso, Bernard Aumont, Luc Vereecken, Michael E. Jenkin, and Andrew R. Rickard


Interactive discussion

Status: closed

Comment types: AC – author | RC – referee | CC – community | EC – editor | CEC – chief editor | : Report abuse
  • RC1: 'Comment on acp-2021-1031', Anonymous Referee #1, 22 Jan 2022
  • RC2: 'Comment on acp-2021-1031', Anonymous Referee #2, 20 Feb 2022

Peer review completion

AR: Author's response | RR: Referee report | ED: Editor decision | EF: Editorial file upload
AR by Andrew Rickard on behalf of the Authors (22 Mar 2022)  Author's response   Author's tracked changes   Manuscript 
EF by Sarah Buchmann (23 Mar 2022)  Supplement 
ED: Publish as is (23 Mar 2022) by Kelley Barsanti
AR by Andrew Rickard on behalf of the Authors (28 Mar 2022)
Short summary
Alkene ozonolysis produces Criegee intermediates, which can act as oxidants or decompose to give a range of closed-shell and radical products, including OH. Therefore it is essential to accurately represent the chemistry of Criegee intermediates in atmospheric models in order to understand their impacts on atmospheric composition. Here we provide a mechanism construction protocol by which the central features of alkene ozonolysis chemistry can be included in an automatic mechanism generator.
Final-revised paper