Chemical Evolution of CO2 Ices under Processing by Ionizing Radiation: Characterization of Nonobserved Species and Chemical Equilibrium Phase with the Employment of PROCODA Code

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dc.contributor.authorPilling, Sergio
dc.contributor.authorCarvalho, Geanderson Araújo
dc.contributor.authorRocha, Will Robson Monteiro
dc.date.accessioned2025-03-14T14:49:58Z
dc.date.available2025-03-14T14:49:58Z
dc.date.issued22022
dc.description.abstractAstrophysical ices are being exposed to ionizing radiation in space environments, which trigger new reactions and desorption processes. In the lab, such processing by radiation has revealed the appearance of several new species and complements the study of the chemical evolution of icy astrophysical scenarios. Here, we develop a computational methodology that helps to clarify the chemical evolution of ices investigated experimentally under photolysis/radiolysis processes until reaching chemical equilibrium (CE). Briefly, the code (named PROCODA) solves a system of coupled differential equations and describes the evolution of the molecular abundances with the irradiation time for ices under processing by radiation. Two experimental ice samples containing pure CO2 and irradiated by two ionizing agents (cosmic rays and ultraviolet photons) were considered prototype systems. Here, we considered 11 different chemical species within the ice (four observed: CO2, CO, O3, and CO3; seven nonobserved or unknown: O, O2, C, C2, C2O, C2O2, and C2O3), 100 reaction routes (e.g., direct dissociation reactions, bimolecular and termolecular reactions) and radiation-induced desorption processes. The best-fit models provide the reaction rates, several desorption parameters, as well as the characterization of the CE phase. At CE, the percentage of nonobserved species in the UV model was almost triple the one calculated in the CR model (which also includes a lot of O and C atoms). The determined values can be employed in future astrochemical models to map chemical evolution embedded species in astrophysical regions under the presence of an ionizing radiation field.
dc.description.physical30 p.
dc.description.sponsorshipCoordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
dc.description.sponsorshipFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.description.sponsorshipConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.description.uriCNPq (304130/2012-5; 306145/2015-4; 302985/2018-2) FAPESP ((JP2009/18304-0; DR2013/07657-5; PD2015/10492-3) CAPES (88887.368365/2019-00)
dc.format.mimetypePDF
dc.identifier.affiliationUniversidade do Vale do Paraíba
dc.identifier.affiliationLeiden University
dc.identifier.bibliographicCitationPILLING, Sergio; CARVALHO, Geanderson Araújo; ROCHA, Will Robson Monteiro. Chemical Evolution of CO2 Ices under Processing by Ionizing Radiation: Characterization of Nonobserved Species and Chemical Equilibrium Phase with the Employment of PROCODA Code. The Astrophysical Journal, v. 925, n. 2, p. 1-30, 2022. Disponível em:
dc.identifier.doi10.3847/1538-4357/ac3d8a
dc.identifier.urihttps://repositorio.univap.br/handle/123456789/698
dc.language.isoen_US
dc.publisherIOP science
dc.rights.holderThe Astrophysical Journal
dc.subject.keywordAstrochemistry
dc.subject.keywordIonizing Radiation
dc.titleChemical Evolution of CO2 Ices under Processing by Ionizing Radiation: Characterization of Nonobserved Species and Chemical Equilibrium Phase with the Employment of PROCODA Code
dc.typeArtigos de Periódicos

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