期刊
FRONTIERS IN CHEMISTRY
卷 9, 期 -, 页码 -出版社
FRONTIERS MEDIA SA
DOI: 10.3389/fchem.2021.827085
关键词
reactive molecular dynamics; amorphous solid water; interstellar chemistry; energy redistribution; CO2 formation
资金
- Swiss National Science Foundation [200?021-117?810]
- NCCR-MUST
This study investigates the energy transfer between molecules formed on and within amorphous solid water (ASW) and the surrounding water. The results demonstrate that this energy transfer is efficient and contributes to the stabilization of reaction products.
The formation of molecules in and on amorphous solid water (ASW) as it occurs in interstellar space releases appreciable amounts of energy that need to be dissipated to the environment. Here, energy transfer between CO2 formed within and on the surface of amorphous solid water (ASW) and the surrounding water is studied. Following CO((1)sigma(+)) + O(D-1) recombination the average translational and internal energy of the water molecules increases on the & SIM; 10 ps time scale by 15-25% depending on whether the reaction takes place on the surface or in an internal cavity of ASW. Due to tight coupling between CO2 and the surrounding water molecules the internal energy exhibits a peak at early times which is present for recombination on the surface but absent for the process inside ASW. Energy transfer to the water molecules is characterized by a rapid & SIM; 10 ps and a considerably slower & SIM; 1 ns component. Within 50 ps a mostly uniform temperature increase of the ASW across the entire surface is found. The results suggest that energy transfer between a molecule formed on and within ASW is efficient and helps to stabilize the reaction products generated.
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