Propionamide participating in H₂SO₄-based new particle formation: a theory study.

ABSTRACT: Propionamide (PA), an important pollutant emitted into the atmosphere from a variety of sources, is abundant in many areas worldwide, and could be involved in new particle formation (NPF). In this study, the enhancement of the H₂SO₄ (SA)-based NPF by PA was evaluated through investigating the formation mechanism of (PA) _m (SA) _n (m = 0-3 and n = 0-3) clusters using computational chemistry and kinetics modeling. Our study proved that the formation of all the PA-containing clusters is thermodynamically favorable. Furthermore, the [double bond, length as m-dash]O group in PA plays an important role in the clusters with more PA than SA, and the basicity of bases exerts a greater influence with an increasing amount of SA. W

SUBMITTER: Zhao X 

PROVIDER: S-EPMC8690887 | biostudies-literature | 2020 Dec

REPOSITORIES: biostudies-literature