Genesis of Polyatomic Molecules in Dark Clouds: CO₂ Formation on Cold Amorphous Solid Water

2021/04/23 by Upadhyay, Meenu, Pezzella, Marco, Meuwly, Markus
#Chemical Physics (physics.chem-ph) #FOS: Physical sciences

paper · doi:10.48550/arxiv.2104.11499

Abstract

Understanding the formation of molecules under conditions relevant to interstellar chemistry is fundamental to characterize the chemical evolution of the universe. Using reactive molecular dynamics simulations with model-based or high-quality potential energy surfaces provides a means to specifically and quantitatively probe individual reaction channels at a molecular level. The formation of CO₂ from collision of CO(¹ Σ) and O(¹D) is characterized on amorphous solid water (ASW) under conditions typical in cold molecular clouds. Recombination takes place on the sub-nanosecond time scale and internal energy redistribution leads to stabilization of the product with CO₂ remaining adsorbed on the ASW on extended time scales. Using a high-level, reproducing kernel-based potential energy surface for CO₂, formation into and stabilization of CO₂ and COO is observed.

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