Heterogeneous Ion-Induced Nucleation of Water and Butanol Vapors Studied via Computational Quantum Chemistry beyond Prenucleation and Critical Cluster Sizes.

ABSTRACT: Water and butanol are used as working fluids in condensation particle counters, and condensation of a single vapor onto an ion can be used as a simple model system for the study of ion-induced nucleation in the atmosphere. Motivated by this, we examine heterogeneous nucleation of water (H₂O) and n-butanol (BuOH) vapors onto three positively (Li⁺, Na⁺, K⁺) and three negatively charged (F^-, Cl^-, Br^-) ions using classical nucleation theory and computational quantum chemistry methods. We study phenomena that cannot be captured by Kelvin-Thomson equation for small nucleation ion cores. Our quantum chemistry calculations reveal the molecular mechanism behind ion-induced nucleation for each studied system. Typical

SUBMITTER: Toropainen A 

PROVIDER: S-EPMC10184119 | biostudies-literature | 2023 May

REPOSITORIES: biostudies-literature