Statistics – Computation
Scientific paper
May 2011
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2011iaus..280e..29v&link_type=abstract
The Molecular Universe, Proceedings of the 280th Symposium of the International Astronomical Union held in Toledo, Spain, May 30
Statistics
Computation
1
Scientific paper
Grain-surface chemistry plays an important role in the formation of organic molecules in interstellar and circumstellar environments. To understand unprecedentedly detailed observational data about these molecules expected in the era of ALMA, new sophisticated chemical models will be required. An understanding of complex surface chemistry requires the incorporation of details of the structure of ice mantles into astrochemical models. Here, we present a macroscopic gas-grain Monte Carlo model in which an icy grain mantle is treated as a chemically reactive surface and chemically inert bulk consisting of multiple molecular layers. The model allows us to track the chemical history of ice during its build-up in cold protostellar cores. Desorption processes important in the transition to the hot core stage of star formation, such as photodesorption and explosive desorption of molecules trapped in water ice, are also included. The model is computationally efficient, which allows us to simulate a realistically complex chemistry based on the OSU.2008 network of gas-phase reactions and an extended set of grain-surface reactions, including the chemistry of complex organic species. It, thus, represents a compromise between two-phase (gas-surface) astrochemical models, that ignore mantle structure altogether, and detailed microscopic models, that are more physically correct but do not allow us to run complex chemical models. The model is used to simulate the chemistry that occurs during the evolution of protostellar matter from a cold core to a hot core phase. The results of modeling and their key differences from results obtained with traditional two-phase models will be presented.
Herbst Eric
Vasyunin A. I.
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