A predictive model for salt nanoparticle formation using heterodimer stability calculations

Abstract. Acid–base clusters and stable salt formation are critical drivers of new particle events in the atmosphere. In this study, we explore heterodimer (a cluster one acid base) stability as a function gas-phase acidity, aqueous-phase proton transference, vapor pressure, dipole moment polarizability for salts comprised sulfuric acid, methanesulfonic nitric with nine bases. The best predictor was found to be acidity. We then analyzed relationship between J4×4, theoretically predicted rate four-acid, four-base cluster, over range monomer concentrations from 105 109 molec cm−3 temperatures 248 348 K that forms lognormal J4×4. However, temperature concentration effects made it difficult form predictive expression order reduce those effects, calculated yielded an predicting J4×4 any salt, given approximately equal base knowledge temperature. This parameterization tested acid–ammonia system by comparing values experimental data accurate within 2 orders magnitude. show can create simple incorporates dependence on defining term call normalized concentration, Φ. A plot vs. Φ collapses single monotonic curve weak sulfate (difference acidity >95 kcal mol−1) used accurately estimate magnitude atmospheric models.