Articles | Volume 19, issue 14
Research article
19 Jul 2019
Research article |  | 19 Jul 2019

Development of a protocol for the auto-generation of explicit aqueous-phase oxidation schemes of organic compounds

Peter Bräuer, Camille Mouchel-Vallon, Andreas Tilgner, Anke Mutzel, Olaf Böge, Maria Rodigast, Laurent Poulain, Dominik van Pinxteren, Ralf Wolke, Bernard Aumont, and Hartmut Herrmann


Interactive discussion

Status: closed
Status: closed
AC: Author comment | RC: Referee comment | SC: Short comment | EC: Editor comment
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Peer-review completion

AR: Author's response | RR: Referee report | ED: Editor decision
AR by Hartmut Herrmann on behalf of the Authors (17 May 2019)  Author's response   Manuscript 
ED: Publish as is (27 May 2019) by Andreas Hofzumahaus
AR by Hartmut Herrmann on behalf of the Authors (06 Jun 2019)  Manuscript 
Short summary
The article presents a new protocol for computer-assisted automated aqueous-phase chemistry mechanism generation, which has been validated against chamber experiments. Together with a large kinetics database and improved prediction methods for kinetic data, the novel protocol provides an unmatched tool for detailed studies of tropospheric aqueous-phase chemistry in complex model studies and for the design and analysis of chamber experiments.
Final-revised paper