A UNIFIED MICROSCOPIC-MACROSCOPIC MONTE CARLO SIMULATION OF GAS-GRAIN CHEMISTRY IN COLD DENSE INTERSTELLAR CLOUDS
- Department of Chemistry, University of Virginia, Charlottesville, VA 22904 (United States)
- Also at Departments of Astronomy and Physics, University of Virginia, Charlottesville, VA 22904, USA. (United States)
For the first time, we report a unified microscopic-macroscopic Monte Carlo simulation of gas-grain chemistry in cold interstellar clouds in which both the gas-phase and the grain-surface chemistry are simulated by a stochastic technique. The surface chemistry is simulated with a microscopic Monte Carlo method in which the chemistry occurs on an initially flat surface. The surface chemical network consists of 29 reactions initiated by the accreting species H, O, C, and CO. Four different models are run with diverse but homogeneous physical conditions including temperature, gas density, and diffusion-barrier-to-desorption energy ratio. As time increases, icy interstellar mantles begin to grow. Our approach allows us to determine the morphology of the ice, layer by layer, as a function of time, and to ascertain the environment or environments for individual molecules. Our calculated abundances can be compared with observations of ices and gas-phase species, as well as the results of other models.
- OSTI ID:
- 22086381
- Journal Information:
- Astrophysical Journal, Vol. 759, Issue 2; Other Information: Country of input: International Atomic Energy Agency (IAEA); ISSN 0004-637X
- Country of Publication:
- United States
- Language:
- English
Similar Records
A UNIFIED MONTE CARLO TREATMENT OF GAS-GRAIN CHEMISTRY FOR LARGE REACTION NETWORKS. II. A MULTIPHASE GAS-SURFACE-LAYERED BULK MODEL
Three-dimensional, off-lattice Monte-Carlo kinetics simulations of interstellar grain chemistry and ice structure