Freiburg 2024 – scientific programme
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MO: Fachverband Molekülphysik
MO 26: Cluster
MO 26.3: Talk
Friday, March 15, 2024, 15:00–15:15, HS 3042
Collision dynamics and uptake of alcohol molecules by hydrated nitric acid clusters — Yihui Yan1, Karolína Fárníková2, Andriy Pysanenko2, Eva Pluhařová2, Michal Fárník2, and •Jozef Lengyel1 — 1TU München, Garching, Germany — 2Czech Academy of Sciences, Prague, Czechia
Aerosol particles represent one of the most important, yet perhaps the least understood, components of our atmosphere. Due to their influence on global climate, there is a need for detailed kinetic data to be used in climate prediction models. We have therefore developed a novel method for quantifying the uptake process of various molecules by hydrated HNO3 clusters using a pickup technique. Our experiment combines mass spectrometry of the clusters with velocity measurements. However, the evaluation of the uptake cross sections from the experimental data is based on simplifying assumptions about the molecule-cluster collisions. We validate these assumptions through extensive MD simulations. These calculations allow evaluation of the scattering and uptake processes in the collisions, and subsequently the uptake cross sections can be derived and compared to the experimental values. Herein, we examine the uptake of different alcohol molecules by hydrated HNO3 clusters. We discuss the dependence of uptake on the length of the carbon chain (i.e., size, mass, and hydrophobicity) and on steric effects. The combination of experimental data with simulations provides insight into the dynamics involved in molecule-cluster collisions, which is essential for validating our experimental approach.
Keywords: molecular clusters; molecule-cluster collision; cluster formation; hydrogen bonding; mass spectrometry