Hydration of the sulfuric acid-methylamine complex and implications for aerosol formation.

@article{Bustos2014HydrationOT,
  title={Hydration of the sulfuric acid-methylamine complex and implications for aerosol formation.},
  author={Danielle J Bustos and Berhane Temelso and George C. Shields},
  journal={The journal of physical chemistry. A},
  year={2014},
  volume={118 35},
  pages={7430-41}
}
The binary H2SO4-H2O nucleation is one of the most important pathways by which aerosols form in the atmosphere, and the presence of ternary species like amines increases aerosol formation rates. In this study, we focus on the hydration of a ternary system of sulfuric acid (H2SO4), methylamine (NH2CH3), and up to six waters to evaluate its implications for aerosol formation. By combining molecular dynamics (MD) sampling with high-level ab initio calculations, we determine the thermodynamics of… CONTINUE READING
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