Modeling the Effect of C/O Ratio on Complex Carbon Chemistry in Cold Molecular Clouds
Name
Byrne_2026_ApJ_998_95.pdf
Description
Published version
Size
1.24 MB
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Checksum (MD5)
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Author(s)
Byrne, Alex N
Shingledecker, Christopher N
Bergin, Edwin A
Holdren, Martin S
Wenzel, Gabi
Xue, Ci
Van Voorhis, Troy
McGuire, Brett A
Date Issued
February 4, 2026
Journal
The Astrophysical Journal
Publisher
American Astronomical Society
Citation
Alex N. Byrne et al 2026 ApJ 998 95
Version
Final published version
Abstract
Elemental abundances, which are often depleted with respect to solar values, are important input parameters for kinetic models of interstellar chemistry. In particular, the amount of carbon relative to oxygen is known to have a strong effect on the modeled abundances of many species. While previous studies have focused on comparison of modeled and observed abundances to constrain the C/O ratio, the effects of this parameter on the underlying chemistry have not been well studied. We investigated the role of the C/O ratio on dark-cloud chemistry using the NAUTILUS code and machine learning techniques for molecular representation. We find that modeled abundances are quite sensitive to the C/O ratio, especially for carbon-rich species such as carbon chains and polycyclic aromatic hydrocarbons. CO and simple ice-phase species are found to be major carbon reservoirs under both oxygen-poor and oxygen-rich conditions. The appearance of C3H4 isomers as significant carbon reservoirs, even under oxygen-rich conditions, indicates the efficiency of gas-phase C3 formation followed by adsorption and grain-surface hydrogenation. Our model is not able to reproduce the observed, gas-phase C/H ratio of TMC-1 CP at the time of best fit with any C/O ratio between 0.1 and 3, suggesting that the modeled freeze-out of carbon-bearing molecules may be too rapid. Future investigations are needed to understand the reactivity of major carbon reservoirs and their conversion to complex organic molecules.
MIT Department
Massachusetts Institute of Technology. Department of Chemistry
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DOI of Published Version
https://doi.org/10.3847/1538-4357/ae2fed
