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Surface astrochemistry: a computational chemistry perspective

Published online by Cambridge University Press:  04 September 2018

H. M. Cuppen Open the ORCID record for H. M. Cuppen [Opens in a new window] ,
A. Fredon ,
T. Lamberts ,
E. M. Penteado ,
M. Simons  and
C. Walsh Open the ORCID record for C. Walsh [Opens in a new window]
H. M. Cuppen
Affiliation:
Radboud University, Institute for Molecules and Materials email: h.cuppen@science.ru.nl
A. Fredon
Affiliation:
Radboud University, Institute for Molecules and Materials email: h.cuppen@science.ru.nl
T. Lamberts
Affiliation:
Computational Chemistry Group, Institute for Theoretical Chemistry, University of Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart, Germany
E. M. Penteado
Affiliation:
Radboud University, Institute for Molecules and Materials email: h.cuppen@science.ru.nl
M. Simons
Affiliation:
Radboud University, Institute for Molecules and Materials email: h.cuppen@science.ru.nl
C. Walsh
Affiliation:
School of Physics and Astronomy, University of Leeds, Leeds LS2 9JT, UK Leiden Observatory, Leiden UniversityPO Box 9513, 2300 RA Leiden, The Netherlands
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Abstract

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Molecules in space are synthesized via a large variety of gas-phase reactions, and reactions on dust-grain surfaces, where the surface acts as a catalyst. Especially, saturated, hydrogen-rich molecules are formed through surface chemistry. Astrochemical models have developed over the decades to understand the molecular processes in the interstellar medium, taking into account grain surface chemistry. However, essential input information for gas-grain models, such as binding energies of molecules to the surface, have been derived experimentally only for a handful of species, leaving hundreds of species with highly uncertain estimates. Moreover, some fundamental processes are not well enough constrained to implement these into the models.

The proceedings gives three examples how computational chemistry techniques can help answer fundamental questions regarding grain surface chemistry.

Keywords

astrochemistrymolecular processesmethods: numericalISM: molecules
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. 293 - 304
Copyright
Copyright © International Astronomical Union 2018 

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