Preprints
https://doi.org/10.5194/gmd-2023-3
https://doi.org/10.5194/gmd-2023-3
Submitted as: development and technical paper
 | 
27 Mar 2023
Submitted as: development and technical paper |  | 27 Mar 2023
Status: this preprint has been withdrawn by the authors.

Positive semi-definite variants of CBM4 and CBM05 chemistry schemes for atmospheric composition models

Risto Matias Hänninen, Rostislav Kouznetsov, and Mikhail Sofiev

Abstract. Carbon bond chemistry models are widely used to describe tropospheric chemistry reactions in atmospheric chemistry transport models. The standard implementation of these carbon bond models includes a species for paraffin carbon bond which is positioned in chemistry reactions such that its concentration can be easily driven to negative unless additional mechanisms have been implemented around the scheme. Here we describe an alternative formulation which is positively semi-definite, while preserving the main structure of the carbon bond mechanism. We apply the formulation to CBM4 and CBM05 schemes. The new formulation substantially improves the numerical robustness of the schemes and relaxes the need for external mechanisms to enforce positive concentrations.

This preprint has been withdrawn.

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Risto Matias Hänninen, Rostislav Kouznetsov, and Mikhail Sofiev

Interactive discussion

Status: closed

Comment types: AC – author | RC – referee | CC – community | EC – editor | CEC – chief editor | : Report abuse
  • RC1: 'Comment on gmd-2023-3', William Carter, 31 Mar 2023
    • AC1: 'Reply on RC1', Risto Hänninen, 16 May 2023
    • AC3: 'Final reply on RC1', Risto Hänninen, 31 May 2023
  • RC2: 'Comment on gmd-2023-3', Anonymous Referee #2, 01 Apr 2023
    • AC2: 'Reply on RC2', Risto Hänninen, 16 May 2023
    • AC4: 'Final reply on RC2', Risto Hänninen, 31 May 2023

Interactive discussion

Status: closed

Comment types: AC – author | RC – referee | CC – community | EC – editor | CEC – chief editor | : Report abuse
  • RC1: 'Comment on gmd-2023-3', William Carter, 31 Mar 2023
    • AC1: 'Reply on RC1', Risto Hänninen, 16 May 2023
    • AC3: 'Final reply on RC1', Risto Hänninen, 31 May 2023
  • RC2: 'Comment on gmd-2023-3', Anonymous Referee #2, 01 Apr 2023
    • AC2: 'Reply on RC2', Risto Hänninen, 16 May 2023
    • AC4: 'Final reply on RC2', Risto Hänninen, 31 May 2023
Risto Matias Hänninen, Rostislav Kouznetsov, and Mikhail Sofiev

Data sets

Numerical example on how to convert CBM4 chemistry scheme into positively semi-definite Risto Hänninen, Rostislav Kouznetsov, and Mikhail Sofiev https://doi.org/10.5281/zenodo.7763872

Risto Matias Hänninen, Rostislav Kouznetsov, and Mikhail Sofiev

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Short summary
Chemistry transport models describe the motion of particles and gases in atmosphere, containing chemistry equations that allow reaction between different species. The widely used carbon-bond chemistry schemes are originally written in a numerically problematic form that drives some concentrations to unphysical negative values. Here the chemistry equations are re-written in a form where this problem is absent, allowing an easier integration of the equations into any chemistry transport model.