Atmospheric Chemistry and Physics
Atmospheric Chemistry and Physics
ACP
Articles | Volume 22, issue 17
Articles | Volume 22, issue 17
https://doi.org/10.5194/acp-22-11155-2022
© Author(s) 2022. This work is distributed under
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/acp-22-11155-2022
© Author(s) 2022. This work is distributed under
the Creative Commons Attribution 4.0 License.
Articles | Volume 22, issue 17
Research article
 | 
01 Sep 2022
Research article |  | 01 Sep 2022

Modeling approaches for atmospheric ion–dipole collisions: all-atom trajectory simulations and central field methods

Ivo Neefjes, Roope Halonen, Hanna Vehkamäki, and Bernhard Reischl

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Latest update: 20 Nov 2024
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Short summary
Collisions between ionic and dipolar molecules and clusters facilitate the formation of atmospheric aerosol particles, which affect global climate and air quality. We compared often-used classical approaches for calculating ion–dipole collision rates with robust atomistic computer simulations. While classical approaches work for simple ions and dipoles only, our modeling approach can also efficiently calculate reasonable collision properties for more complex systems.
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