A sensitivity analysis of interstellar ice chemistry in astrochemical models

Context . Astrochemical models are essential to bridging the gap between the timescales of reactions, experiments, and observations. The ice chemistry in these models is faced with a significant computational complexity given the many parameters required to modeling the chemical processes occurring on these ices, such as binding energies and reaction energy barriers. Many of these parameters are poorly constrained and attempting to accurately determine all of them would be too costly. Aims . We aim to find out which specific parameters related to the ice chemistry have a large effect on the calculated abundances of ices for different prestellar objects. Methods . Using Monte Carlo sampled binding energies, diffusion barriers, desorption and diffusion prefactors, and reaction energy barriers, we determined the sensitivity of the abundances of the main ice species calculated with the UCLCHEM astrochemical modeling code on each of these parameters. We did this for a large grid of physical conditions across temperature, density, cosmic ray ionization rate, and UV field strength. Results . Regardless of the physical conditions, the main sensitivities for the abundances of the main ice species are the diffusion barriers of small and relatively mobile reactive species such as H, N, O, HCO, and CH 3 . Therefore, these parameters should be determined more accurately to increase the accuracy of models, paving the way to a better understanding of observations of interstellar ices. In many cases, accurate reaction energy barriers are not essential due to the competition between reactions and diffusion.

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Publication Details

Journal
Astronomy and Astrophysics
Published
2025-12-20
DOI
https://doi.org/10.1051/0004-6361/202557925
Citations
1
Primary Topic
Astrophysics and Star Formation Studies
Type
article
Field-Weighted Citation Impact
1.15
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article

A sensitivity analysis of interstellar ice chemistry in astrochemical models

Thanja Lamberts, H. M. Cuppen, Serena Viti, Tobias M. Dijkhuis
1 citations
Astronomy and Astrophysics
Astrophysics and Star Formation Studies
1.15
article

A sensitivity analysis of interstellar ice chemistry in astrochemical models

Thanja Lamberts, H. M. Cuppen, Serena Viti, Tobias M. Dijkhuis
article en
1 citations

Abstract

Context . Astrochemical models are essential to bridging the gap between the timescales of reactions, experiments, and observations. The ice chemistry in these models is faced with a significant computational complexity given the many parameters required to modeling the chemical processes occurring on these ices, such as binding energies and reaction energy barriers. Many of these parameters are poorly constrained and attempting to accurately determine all of them would be too costly. Aims . We aim to find out which specific parameters related to the ice chemistry have a large effect on the calculated abundances of ices for different prestellar objects. Methods . Using Monte Carlo sampled binding energies, diffusion barriers, desorption and diffusion prefactors, and reaction energy barriers, we determined the sensitivity of the abundances of the main ice species calculated with the UCLCHEM astrochemical modeling code on each of these parameters. We did this for a large grid of physical conditions across temperature, density, cosmic ray ionization rate, and UV field strength. Results . Regardless of the physical conditions, the main sensitivities for the abundances of the main ice species are the diffusion barriers of small and relatively mobile reactive species such as H, N, O, HCO, and CH 3 . Therefore, these parameters should be determined more accurately to increase the accuracy of models, paving the way to a better understanding of observations of interstellar ices. In many cases, accurate reaction energy barriers are not essential due to the competition between reactions and diffusion.

Astronomy and AstrophysicsVol. 706
Leiden University (NL), Radboud University Nijmegen (NL), Radboud University Medical Center (NL), Radboud Institute for Molecular Life Sciences (NL), Arheološki Institut (RS), University College London (GB)
Openalex Percentile: Top 14%
Astrophysics and Star Formation Studies
1.15
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