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Updated: Jul 12, 2026

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
Published on: April 8, 2020
Computer simulations of the atmospheric chemistry of sulfate and nitrate formation
Abstract:
Simulations of the atmospheric chemistry of sulfate and inorganic nitrate formation have been carried out by means of a detailed gas phase-liquid phase chemical kinetic mechanism. Consideration has been given to the effect of changes in sulfur dioxide, nitrogen oxides, and reactive hydrocarbon concentrations on sulfate and nitrate formation for conditions typical of the midwestern and northeastern United States. The results indicate significant nonlinearities in the chemistry of acid formation, particularly between sulfur dioxide and sulfate concentrations.
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