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Monte Carlo Modeling of Astrophysically-Relevant Temperature-Programmed Desorption Experiments

Published online by Cambridge University Press:  04 September 2018

Aspen R. Clements ,
Ilsa Cooke Open the ORCID record for Ilsa Cooke [Opens in a new window]  and
Robin T. Garrod
Aspen R. Clements
Affiliation:
Department of Chemistry, University of Virginia, P.O. Box 400319, Charlottesville, VA 22904-4319 email: ac8hq@virginia.edu
Ilsa Cooke
Affiliation:
Department of Chemistry, University of Virginia, P.O. Box 400319, Charlottesville, VA 22904-4319 email: ac8hq@virginia.edu
Robin T. Garrod
Affiliation:
Department of Chemistry, University of Virginia, P.O. Box 400319, Charlottesville, VA 22904-4319 email: ac8hq@virginia.edu Department of Astronomy, University of Virginia, P.O. Box 400325 Charlottesville, VA 22904-4325
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Abstract

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The formation of molecules in the interstellar medium is significantly driven by grain chemistry, ranging from simple (e.g. H2) to relatively complex (e.g. CH3OH) products. The movement of atoms and molecules on amorphous ice surfaces is not well constrained, and this is a quintessential component of surface chemistry. We show that ice structure created by utilizing an off-lattice Monte Carlo kinetics model is highly dependent on deposition parameters (i.e. angle, rate, and temperature). The model, thus far, successfully predicts the densities of deposition rate- and temperature-dependent laboratory experiments. The simulations indicate, when angle and deposition rate increase, the density decreases. On the other hand, temperature has the opposite effect and will increase the density. We can make ices with desired densities and monitor how molecules, like CO, percolate through H2O ice pores. The strength of this model lies in the ability to replicate TPD-like experiments by monitoring molecules diffusing on and desorbing from user-defined surfaces.

Keywords

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Type
Contributed Papers
Information
Proceedings of the International Astronomical Union , Volume 13 , Symposium S332: Astrochemistry VII: Through the Cosmos from Galaxies to Planets , March 2017 , pp. 326 - 329
Copyright
Copyright © International Astronomical Union 2018 

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