Modeling the Effect of C/O Ratio on Complex Carbon Chemistry in Cold Molecular Clouds

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 C 3 H 4 isomers as significant carbon reservoirs, even under oxygen-rich conditions, indicates the efficiency of gas-phase C 3 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.