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


Interactive discussion

Status: closed

Comment types: AC – author | RC – referee | CC – community | EC – editor | CEC – chief editor | : Report abuse
  • RC1: 'Comment on egusphere-2022-93', Kai Leonhard, 16 May 2022
  • RC2: 'Comment on egusphere-2022-93', Anonymous Referee #1, 06 Jul 2022
  • AC1: 'Author response on egusphere-2022-93', Ivo Neefjes, 14 Jul 2022

Peer review completion

AR: Author's response | RR: Referee report | ED: Editor decision | EF: Editorial file upload
AR by Ivo Neefjes on behalf of the Authors (15 Jul 2022)  Author's response   Author's tracked changes   Manuscript 
ED: Publish as is (29 Jul 2022) by Fangqun Yu
AR by Ivo Neefjes on behalf of the Authors (05 Aug 2022)
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.
Final-revised paper