Interaction between succinic acid and sulfuric acid–base clusters

Abstract

Dicarboxylic acids likely participate in the formation of pre-nucleation clusters to facilitate new particle formation in the atmosphere, but the detailed mechanism leading to the formation of multicomponent critical nuclei involving organic acids, sulfuric acid (SA), base species, and water remains unclear. In this study, theoretical calculations are performed to elucidate the interactions between succinic acid (SUA) and clusters consisting of SA-ammonia (AM)∕dimethylamine (DMA) in the presence of hydration of up to six water molecules. Formation of the hydrated SUA⚫SA⚫ base clusters is energetically favorable, triggering proton transfer from SA to the base molecule to form new covalent bonds or strengthening the preexisting covalent bonds. The presence of SUA promotes hydration of the SA⚫AM and SA⚫AM⚫DMA clusters but dehydration of the SA⚫DMA clusters. At equilibrium, SUA competes with the second SA molecule for addition to the SA⚫ base clusters at atmospherically relevant concentrations. The clusters containing both the base and organic acid are capable of further binding with acid molecules to promote subsequent growth. Our results indicate that the multicomponent nucleation involving organic acids, sulfuric acid, and base species promotes new particle formation in the atmosphere, particularly under polluted conditions with a high concentration of diverse organic acids.