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Astrochemical models are essential to bridge the gap between the timescales of reactions, experiments, and observations. Ice chemistry in these models experiences a large computational complexity as a result of the many parameters required…

Astrophysics of Galaxies · Physics 2026-02-18 Tobias M. Dijkhuis , Thanja Lamberts , Serena Viti , Herma M. Cuppen

We present results from high-resolution three-dimensional simulations of turbulent interstellar gas that self-consistently follow its coupled thermal, chemical and dynamical evolution, with a particular focus on the formation and…

Solar and Stellar Astrophysics · Physics 2015-05-13 S. C. O. Glover , C. Federrath , M. -M. Mac Low , R. S. Klessen

Context. The presence of dust in the interstellar medium has profound consequences on the chemical composition of regions where stars are forming. Recent observations show that many species formed onto dust are populating the gas phase,…

Solar and Stellar Astrophysics · Physics 2015-12-16 M. Minissale , F. Dulieu , S. Cazaux , S. Hocuk

A prevailing theory for the interstellar production of complex organic molecules (COMs) involves formation on warm dust-grain surfaces, via the diffusion and reaction of radicals produced through grain-surface photodissociation of stable…

Astrophysics of Galaxies · Physics 2020-08-19 Mihwa Jin , Robin T. Garrod

Formaldehyde (H2CO) is one of the most abundant molecules observed in the icy mantle covering interstellar grains. Studying its evolution can contribute to our understanding of the formation of complex organic molecules in various…

Astrophysics of Galaxies · Physics 2020-09-14 Lei Song , Johannes Kästner

Atmospheric Carbon Monoxide (CO) provides a window on the chemistry of the atmosphere since it is one of few chemical constituents that can be remotely sensed, and it can be used to determine budgets of other greenhouse gases such as ozone…

Context. The abundances of many observed compounds in interstellar molecular clouds still lack an explanation, despite extensive research that includes both gas and solid (dust-grain surface) phase reactions. Aims. We aim to qualitatively…

Astrophysics of Galaxies · Physics 2012-07-12 Juris Kalvans , Ivar Shmeld

One of the major obstacles to accurately model the interstellar chemistry is an inadequate knowledge about the binding energy (BE) of interstellar species with dust grains. In denser region of molecular cloud, where very complex chemistry…

Astrophysics of Galaxies · Physics 2018-07-25 Ankan Das , Milan Sil , Prasanta Gorai , Sandip K. Chakrabarti , Jean-Christophe Loison

The energy to desorb atomic oxygen from an interstellar dust grain surface, $E_{\rm des}$, is an important controlling parameter in gas-grain models; its value impacts the temperature range over which oxygen resides on a dust grain.…

Astrophysics of Galaxies · Physics 2015-06-23 Jiao He , Jianming Shi , Tyler Hopkins , Gianfranco Vidali , Michael J. Kaufman

Because chemical reactions on/in cosmic ice dust grains covered by amorphous solid water (ASW) play important roles in generating a variety of molecules, many experimental and theoretical studies have focused on the chemical processes…

Astrophysics of Galaxies · Physics 2021-01-11 Masashi Tsuge , Naoki Watanabe

Amorphous solid water (ASW) is abundantly present in the interstellar medium, where it forms a mantle on interstellar dust particles and it is the precursor for cometary ices. In space, ASW acts as substrate for interstellar surface…

Materials Science · Physics 2020-09-03 J. A. Noble , H. M. Cuppen , S. Coussan , B. Redlich , S. Ioppolo

The condensation of diffuse gas into molecular clouds occurs at a rate driven largely by turbulent dissipation. This process still has to be caught in action and characterized. A mosaic of 13 fields was observed in the CO(1-0) line with the…

Astrophysics of Galaxies · Physics 2015-05-14 E. Falgarone , J. Pety , P. Hily-Blant

Chemical processes taking place on ice-grain mantles are pivotal to the complex chemistry of interstellar environments. In this study, we conducted a comprehensive analysis of the catalytic effects of an amorphous solid water (ASW) surface…

To realize a chemical diffusion experiment for simple quantitative analysis of one-dimensional diffusion profiles requires the fabrication of a planar and chemically sharp interface between two phases, one serving as the diffusion source…

Nonthermal desorption of molecules from icy grain surfaces is required to explain molecular line observations in the cold gas of star-forming regions. Chemical desorption is one of the nonthermal desorption processes and is driven by the…

Astrophysics of Galaxies · Physics 2022-03-02 Kenji Furuya , Yasuhiro Oba , Takashi Shimonishi

We numerically examine solutal convection in porous media, driven by the dissolution of carbon dioxide (CO2) into water---an effective mechanism for CO2 storage in saline aquifers. Dissolution is associated with slow diffusion of free-phase…

Fluid Dynamics · Physics 2019-11-22 Mohammad Amin Amooie , Mohamad Reza Soltanian , Joachim Moortgat

In this work we investigate the dissociation of CO$_2$ on Cu(110) by performing density functional theory calculations using the vdW-DF2 exchange-correlation functional, with a potential energy surface parameterized using artificial neural…

Materials Science · Physics 2025-12-29 Federico J. Gonzalez , Carmen A. Tachino , H. Fabio Busnengo

We use density functional theory (DFT) with the generalized gradient approximation (GGA) and our first-principles extrapolation method for accurate chemisorption energies {[Mason {\em et al.}, Phys. Rev. B {\bf 69}, 161401R (2004)]} to…

Materials Science · Physics 2007-05-23 Sara E. Mason , Ilya Grinberg , Andrew M. Rappe

The rotational transitions of carbon monoxide (CO) are the primary means of investigating the density and velocity structure of the molecular interstellar medium. Here we study the lowest four rotational transitions of CO towards…

Astrophysics · Physics 2009-10-31 James G. Ingalls , T. M. Bania , Adair P. Lane , Matthias Rumitz , Antony A. Stark

We use UV measurements of interstellar CO towards nearby stars to calculate the density in the diffuse molecular clouds containing the molecules responsible for the observed absorption. Chemical models and recent calculations of the…

Astrophysics of Galaxies · Physics 2015-06-16 Paul F. Goldsmith
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