The driving effects of common atmospheric molecules for formation of prenucleation clusters: the case of sulfuric acid, formic acid, nitric acid, ammonia, and dimethyl amine.

ABSTRACT: How secondary aerosols form is critical as aerosols' impact on Earth's climate is one of the main sources of uncertainty for understanding global warming. The beginning stages for formation of prenucleation complexes, that lead to larger aerosols, are difficult to decipher experimentally. We present a computational chemistry study of the interactions between three different acid molecules and two different bases. By combining a comprehensive search routine covering many thousands of configurations at the semiempirical level with high level quantum chemical calculations of approximately 1000 clusters for every possible combination of clusters containing a sulfuric acid molecule, a formic acid molecule, a nitric acid molecule, an ammonia molecule, a dimethylamine molecule, and 0-5 water mole

SUBMITTER: Bready CJ 

PROVIDER: S-EPMC9648633 | biostudies-literature | 2022 Nov

REPOSITORIES: biostudies-literature