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Published May 1, 2005 | public
Journal Article

An optimization problem related to the modeling of atmospheric inorganic aerosols


A mathematical model for the computation of chemical equilibrium of atmospheric inorganic aerosols is proposed. The equilibrium is given by the minimum of the Gibbs free energy for a system involving an aqueous phase, a gas phase and solid salts. A primal-dual method solving the Karush-Kuhn-Tucker conditions is detailed. An active set/Newton method permits the computation of the minimum and track solid salts at the equilibrium.

Additional Information

Supported by the Swiss National Science Foundation, Grant PBEL2-103152. Supported by the United States Environmental Protection Agency through Cooperative Agreement CR-829068-01 to the University of Houston.

Additional details

August 22, 2023
October 16, 2023