Resumen:
Astrophysical ices play a crucial role in the chemical evolution of space environments, as they undergo ionizing radiation-induced reactions and desorption processes. Here, we present our pioneering computational methodology, PROCODA, aimed at elucidating the intricate chemical evolution of experimentally investigated ices under photolysis/radiolysis processes until chemical equilibrium phase (CE) is attained. The code solves a system of coupled differential equations, effectively traces the evolution of molecular abundances over time during the radiation processing of ices. Our investigation primarily focuses on pure H2O, CO, and CO2 ices subjected to different types of ionizing radiation, such as cosmic rays, UV and energetic electrons [1,2,3]. For CO and CO2 ices, we consider 11 distinct chemical species within the ice, encompassing 4 observed species (CO2, CO, O3, and CO3) and 7 non-observed or unknown species (O, O2, C, C2, C2O, C2O2, and C2O3). Additionally, we account for 100 reaction routes, including direct dissociation reactions, bimolecular reactions, and radiation-induced desorption processes. For H2O ices, our analysis involves 9 different chemical species, including 5 observed species (H2, H2O, O2, H2O2, and virtually zero O3) and 61 coupled reactions. The best-fit models obtained through PROCODA provide not only the rate coefficients for the considered equations but also yield invaluable insights into desorption parameters and the characterization of the CE phase. The determined values from our comprehensive study hold significant potential for incorporation into future astrochemical models, enabling the mapping of chemical evolution within astrophysical environments under the influence of ionizing radiation. We gratefully acknowledge the generous financial support of the Brazilian agencies FAPESP, CAPES, and CNPq, which has made this research possible.
References:
[1] Pilling et. al. 2022, ApJ, 925, 147 (CO2)
[2] Pilling et. al. 2023, ApJ, 952, 17 (CO)
[3] Pilling et. al. 2023, MNRAS, 523, 2858 (H2O)