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 HSO (SA)-based NPF by PA was evaluated through investigating the formation mechanism of (PA) (SA) ( = 0-3 and = 0-3) clusters using computational chemistry and kinetics modeling. Our study proved that the formation of all the PA-containing clusters is thermodynamically favorable.
View Article and Find Full Text PDFBy theoretical calculations, the gas-phase SO hydration reaction assisted by methylamine (MA) and dimethylamine (DMA) was investigated, and the potential contribution of the hydrated product to new particle formation (NPF) also was evaluated. The results show that the energy barrier for aliphatic amines (MA and DMA) assisted SO hydration reaction is lower than the corresponding that of water and ammonia assisted SO hydration. In these hydration reactions, nearly barrierless reaction (only a barrier of 0.
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