Articles | Volume 18, issue 22
https://doi.org/10.5194/gmd-18-9039-2025
© Author(s) 2025. This work is distributed under the Creative Commons Attribution 4.0 License.
The Chemical Mechanism Integrator Cminor v1.0: a stand-alone Fortran environment for the particle-based simulation of chemical multiphase mechanisms
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- Final revised paper (published on 26 Nov 2025)
- Supplement to the final revised paper
- Preprint (discussion started on 09 May 2025)
- Supplement to the preprint
Interactive discussion
Status: closed
Comment types: AC – author | RC – referee | CC – community | EC – editor | CEC – chief editor
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RC1: 'Comment on egusphere-2025-380', Anonymous Referee #1, 15 Jun 2025
- AC1: 'Reply on RC1', Levin Rug, 23 Sep 2025
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RC2: 'Comment on egusphere-2025-380', Anonymous Referee #2, 26 Jul 2025
- AC2: 'Reply on RC2', Levin Rug, 23 Sep 2025
Peer review completion
AR – Author's response | RR – Referee report | ED – Editor decision | EF – Editorial file upload
AR by Levin Rug on behalf of the Authors (30 Sep 2025)
Author's response
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ED: Publish subject to technical corrections (14 Oct 2025) by Simon Unterstrasser
AR by Levin Rug on behalf of the Authors (22 Oct 2025)
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This paper presents Cminor a stand-alone solver environment to simulate chemical kinetic systems of different complexity to solve atmospheric and combustion chemistry problems. The novelty is the fact that it does not requite any separate solvers but applies linear-implicit Rosenbrock numerical schemes. Given that chemical mechanisms have grown over the last decades to several 1000s of reaction, new numerical tools are needed to solve such computational demanding equation sets. In the present paper, Cminor ahs been applied to several chemical mechanisms of widely varying complexity and thus the applicability of Cminor has been demonstrated. The model description is very detailed and clear; the model is easy to use with a logical file structure. I only have a few, mostly minor, comments that should be addressed prior to acceptance for publication.
Main comments
1) To prove the validity of the model, it would be more convincing if the authors showed a comparison to previous model studies. Particularly, I am surprised about the sentence “The comparatively high number concentration of cloud droplets is due to our low water accomodation (sic! – note that an ‘m’ is missing) coefficient.” (l. 505/6). In line 210, it is mentioned that alpha = 1 is used, which is the upper limit for this coefficient. What was the drop number concentration as predicted by Jaruga and Pawlowska (2018) and which accommodation coefficient did they use? Please clarify.
2) How does the new solver compare in terms of computing time to previous ones that have been used for the same chemical mechanisms used here? Is it comparable?
3) The chemical systems addressed are highly idealized. While I understand that the current paper is a model development paper, some more perspectives should be given how to apply Cminor to current atmospheric chemical problems that deviate from the rather simple cases. This could be briefly mentioned in the conclusions as a perspective for future extensions and applications. They include, for example,
- chemical processes in/on aerosol particles (doi: 10.5194/acp-10-3673-2010)
- ionic strength effects: aqueous phase rate constants have been shown to be a function of the salt content of the aqueous phase
- phase partitioning of semivolatile compounds. Even though it is mentioned that CAPRAM4.0a can be used to predict SOA formation in the aqueous phase, it is not clear how Cminor treats gas-aqueous partitioning of formed aqSOA species that may not follow Henry’s law since they form salts or partition according to their volatility which may not follow Henry’s law when water content becomes small
- could an externally mixed aerosol or drop population be considered, i.e. particles or droplets of the same size but different chemical composition?
4) l. 100: It is not clear why you single out peroxy radicals as being potentially constant and why they are summed up to a single entity (supplement l. 168), given that they may have very different reactivities. Please add a justification and appropriate reference
5) According to listing 1 of the supplement, it seems that only one salt can be used per CCN, e.g. NaCL or NH4(SO4)2. Could the model be used for realistic initial aerosol composition such as 50% amm sulf and 50% organics?
6) Some equations are numbered. Others are not. Please use consistent numbering throughout the paper.
Minor/technical comments:
l. 35: Phase transition depends also on chemical composition itself
l. 182: Call it ‘aqueous phase’ here because the following text only refers to water (not to liquid organic phases)
l. 187: It should be upper case K
Supplement:
l. 62 multiplied with…
l. 413: Avogadro number is 6.022 10^23 not ^22
Table 3: What is ‘accommodation coefficient’ here? Before you describe that the accommodation coefficient for each species can be set separately.