Preprints
https://doi.org/10.5194/egusphere-2026-2362
https://doi.org/10.5194/egusphere-2026-2362
30 Apr 2026
 | 30 Apr 2026

A simplified isoprene oxidation mechanism for fast global chemistry transport modeling and emission inversion

Glenn-Michael Oomen, Jean-François Müller, Trissevgeni Stavrakou, Isabelle De Smedt, Vincent Huijnen, Flora Kluge, Antje Inness, and Johannes Flemming

Abstract. We introduce the Simplified Isoprene Chemistry for MAGRITTE (SICMA), a compact chemical mechanism designed for computationally efficient global chemistry transport modeling and adjoint-based emission inversions. The scheme reduces the isoprene oxidation network of the MAGRITTEv1.2 model from 93 organic species and 243 reactions to four organic species and five lumped reactions. The SICMA parameters (rate coefficients and product yields) are optimized using box-model simulations across multiple NOx regimes to reproduce cumulative formaldehyde (HCHO) production and HOx concentrations from the full mechanism. The simplified scheme successfully captures the NOx-dependent branching of isoprene oxidation and reproduces HCHO production and oxidant recycling with high fidelity. Implemented in the global MAGRITTE model, SICMA reproduces the monthly HCHO vertical columns from the full chemistry run within 10 % over most continental regions. Larger discrepancies occur over boreal forests and remote oceans, mainly due to the simplified treatment of monoterpene oxidation and organic nitrate chemistry. Despite these simplifications, the seasonal cycle and spatial distribution of HCHO columns remain in close agreement with both the full chemistry simulation and TROPOMI observations. Inversions of isoprene emissions constrained by TROPOMI HCHO columns yield nearly identical global totals when using SICMA or the full chemistry (568.0 and 568.4 Tg yr-1, respectively). SICMA therefore provides a robust and computationally efficient alternative to detailed isoprene mechanisms for large-scale modeling and emission inversion applications.

Publisher's note: Copernicus Publications remains neutral with regard to jurisdictional claims made in the text, published maps, institutional affiliations, or any other geographical representation in this paper. While Copernicus Publications makes every effort to include appropriate place names, the final responsibility lies with the authors. Views expressed in the text are those of the authors and do not necessarily reflect the views of the publisher.
Share

Journal article(s) based on this preprint

22 Sep 2026
A simplified isoprene oxidation mechanism for fast formaldehyde-based emission inversion of isoprene
Glenn-Michael Oomen, Jean-François Müller, Trissevgeni Stavrakou, Isabelle De Smedt, Vincent Huijnen, Flora Kluge, Antje Inness, and Johannes Flemming
Geosci. Model Dev., 19, 8959–8975, https://doi.org/10.5194/gmd-19-8959-2026,https://doi.org/10.5194/gmd-19-8959-2026, 2026
Short summary
Glenn-Michael Oomen, Jean-François Müller, Trissevgeni Stavrakou, Isabelle De Smedt, Vincent Huijnen, Flora Kluge, Antje Inness, and Johannes Flemming

Interactive discussion

Status: closed

Comment types: AC – author | RC – referee | CC – community | EC – editor | CEC – chief editor | : Report abuse
  • RC1: 'Comment on egusphere-2026-2362', Anonymous Referee #1, 30 May 2026
    • AC1: 'Reply on RC1', Glenn-Michael Oomen, 24 Aug 2026
  • RC2: 'Comment on egusphere-2026-2362', Anonymous Referee #2, 08 Jun 2026
    • AC2: 'Reply on RC2', Glenn-Michael Oomen, 24 Aug 2026
  • RC3: 'Referee comment on egusphere-2026-2362', Anonymous Referee #3, 16 Jun 2026
    • AC3: 'Reply on RC3', Glenn-Michael Oomen, 24 Aug 2026

Peer review completion

AR – Author's response | RR – Referee report | ED – Editor decision | EF – Editorial file upload
AR by Glenn-Michael Oomen on behalf of the Authors (24 Aug 2026)  Author's response   Author's tracked changes   Manuscript 
ED: Publish subject to minor revisions (review by editor) (31 Aug 2026) by Benjamin Gaubert
AR by Glenn-Michael Oomen on behalf of the Authors (31 Aug 2026)  Author's response   Author's tracked changes   Manuscript 
ED: Publish subject to technical corrections (02 Sep 2026) by Benjamin Gaubert
AR by Glenn-Michael Oomen on behalf of the Authors (02 Sep 2026)  Author's response   Manuscript 

Interactive discussion

Status: closed

Comment types: AC – author | RC – referee | CC – community | EC – editor | CEC – chief editor | : Report abuse
  • RC1: 'Comment on egusphere-2026-2362', Anonymous Referee #1, 30 May 2026
    • AC1: 'Reply on RC1', Glenn-Michael Oomen, 24 Aug 2026
  • RC2: 'Comment on egusphere-2026-2362', Anonymous Referee #2, 08 Jun 2026
    • AC2: 'Reply on RC2', Glenn-Michael Oomen, 24 Aug 2026
  • RC3: 'Referee comment on egusphere-2026-2362', Anonymous Referee #3, 16 Jun 2026
    • AC3: 'Reply on RC3', Glenn-Michael Oomen, 24 Aug 2026

Peer review completion

AR – Author's response | RR – Referee report | ED – Editor decision | EF – Editorial file upload
AR by Glenn-Michael Oomen on behalf of the Authors (24 Aug 2026)  Author's response   Author's tracked changes   Manuscript 
ED: Publish subject to minor revisions (review by editor) (31 Aug 2026) by Benjamin Gaubert
AR by Glenn-Michael Oomen on behalf of the Authors (31 Aug 2026)  Author's response   Author's tracked changes   Manuscript 
ED: Publish subject to technical corrections (02 Sep 2026) by Benjamin Gaubert
AR by Glenn-Michael Oomen on behalf of the Authors (02 Sep 2026)  Author's response   Manuscript 

Journal article(s) based on this preprint

22 Sep 2026
A simplified isoprene oxidation mechanism for fast formaldehyde-based emission inversion of isoprene
Glenn-Michael Oomen, Jean-François Müller, Trissevgeni Stavrakou, Isabelle De Smedt, Vincent Huijnen, Flora Kluge, Antje Inness, and Johannes Flemming
Geosci. Model Dev., 19, 8959–8975, https://doi.org/10.5194/gmd-19-8959-2026,https://doi.org/10.5194/gmd-19-8959-2026, 2026
Short summary
Glenn-Michael Oomen, Jean-François Müller, Trissevgeni Stavrakou, Isabelle De Smedt, Vincent Huijnen, Flora Kluge, Antje Inness, and Johannes Flemming

Data sets

TROPOMI HCHO columns from ESA CCI (L3) I. De Smedt et al. https://doi.org/10.18758/y591kda5

Model code and software

KPP-Based Optimization of Simplified Chemistry Models G.-M. Oomen https://doi.org/10.5281/zenodo.19886691

Glenn-Michael Oomen, Jean-François Müller, Trissevgeni Stavrakou, Isabelle De Smedt, Vincent Huijnen, Flora Kluge, Antje Inness, and Johannes Flemming

Viewed

Total article views: 586 (including HTML, PDF, and XML)
HTML PDF XML Total Supplement BibTeX EndNote
372 166 48 586 50 50 48
  • HTML: 372
  • PDF: 166
  • XML: 48
  • Total: 586
  • Supplement: 50
  • BibTeX: 50
  • EndNote: 48
Views and downloads (calculated since 30 Apr 2026)
Cumulative views and downloads (calculated since 30 Apr 2026)

Viewed (geographical distribution)

Total article views: 548 (including HTML, PDF, and XML) Thereof 548 with geography defined and 0 with unknown origin.
Country # Views %
  • 1
1
 
 
 
 
Latest update: 28 Sep 2026
Download

The requested preprint has a corresponding peer-reviewed final revised paper. You are encouraged to refer to the final revised version.

Short summary
Isoprene is a commonly emitted organic gas emitted by trees. In this work, we strongly simplified the chemical mechanism through parametric fitting, which helps scientists study air pollution and climate more efficiently. By comparing it with a detailed model and satellite observations, we show that the simplified version produces very similar results. This means faster calculations are possible without losing accuracy, improving studies of emissions and air quality worldwide.
Share