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    Modeling the chemical evolution and kinetics of pure H2O Ices under various types of radiation employing the PROCODA code
    (Elsevier) Silveira, Carolina Hahn da; Pilling, Sergio
    Water is one of the most abundant molecules in space, especially in cold environments, where it is the main constituting of astrophysical ices. The space ionizing radiation affects these ices and induces chemical changes, including desorption to gas-phase, which increase the complexity of the interstellar medium. In this work, we employed the PROCODA code to investigate the behavior of several pure water ices under different type of ionizing radiation such as UV, X-rays, electrons and cosmic rays analogues. Here, we employ molecular column densities from laboratory and solved a set of coupled chemical reactions to calculated effective reaction rates (ERCs) and characterize the chemical equilibrium of water ices under high radiation fluences. Briefly, we monitored the evolution of nine species (including the observed ones H2O, H2O2, and O3, and the predicted ones H, O, H2, OH, O2, and HO2). A discussion on the branching ratio for the considered reactions with the type of ionizing radiation is provided. Among the results, we observed that approximately 63% of the modeled molecules quantified at chemical equilibrium were non-observed species in the X-rays experiment, highlighting the importance of this work in providing insights into the processes that occur on the surface of icy interstellar grains exposed to cosmic radiation, including the formation and destruction of water ice. Accurate modeling of these processes can lead to a better understanding of the chemical evolution of interstellar and circumstellar environments, as well as offer insight into the formation and composition of celestial objects such as comets.
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    Chemical evolution of electron-bombarded crystalline water ices at different temperatures using the procoda code
    (Royal Astronomical Society) Pilling, Sergio; Silveira, Carolina Hahn da; Ojeda González, Arian
    Water ices are a common component of cold space environments, including molecular and protostellar clouds, and the frozen surfaces of moons, planets, and comets. When exposed to ionizing and/or thermal processing, they become a nursery for new molecular species and are also responsible for their desorption to the gas-phase. Crystalline water ice, produced by the deposition of gaseous water at warm (80–150 K) surfaces or by the heating of cold amorphous water ice (up to ∼150 K), is also regularly detected by astronomical observations. Here, we employed the procoda code to map the chemical evolution of 5 keV electron-bombarded crystalline water-ices at different temperatures (12, 40, 60 and 90 K). The chemical network considered a total of 61 coupled reactions involving nine different chemical species within the ice. Among the results, we observe that the average calculated effective rate constants for radiation-induced dissociation decrease as the ice´s temperature increases. The abundance of molecular species in the ice at chemical equilibrium and its desorption to gas-phase depend on both the temperature of the ice. H2O molecules are the dominant desorbed species, with a desorption yield of about 1 molecule per 100 electrons, which seems to be enhanced for warmer crystalline ices. The obtained results can be employed in astrochemical models to simulate the chemical evolution of interstellar and planetary environments. These findings have implications for astrochemistry and astrobiology, providing insight into crucial chemical processes and helping us understand the chemistry in cold regions in space.