Hydration of the methanesulfonate-ammonia/amine complex and its atmospheric implications.

ABSTRACT: Methanesulfonate (MSA^-), found in substantial concentrations in the atmosphere, is expected to enhance aerosol nucleation and the growth of nanoparticles, but the details of methanesulfonate clusters are poorly understood. In this study, MSA^- was chosen along with ammonia (NH₃) or three common amines and water (H₂O) to discuss the roles of ternary homogeneous nucleation and ion-induced nucleation in aerosol formation. We studied the structural characteristics and thermodynamics of the clusters using density functional theory at the PW91PW91/6-311++G(3df,3pd) level. The analysis of noncovalent interactions predicts that the amines can form more stable clusters with MSA^- than NH₃, in agreement with the results from structures

SUBMITTER: Miao SK 

PROVIDER: S-EPMC9077587 | biostudies-literature | 2018 Jan

REPOSITORIES: biostudies-literature