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Published online by Cambridge University Press: 10 August 2011
Atmospheric flow equations govern the time evolution of chemical concentrations in theatmosphere. When considering gas and particle phases, the underlying partial differentialequations involve advection and diffusion operators, coagulation effects, and evaporationand condensation phenomena between the aerosol particles and the gas phase. Operatorsplitting techniques are generally used in global air quality models. When consideringorganic aerosol particles, the modeling of the thermodynamic equilibrium of each particleleads to the determination of the convex envelope of the energy function. Two strategiesare proposed to address the computation of convex envelopes. The first one is based on aprimal-dual interior-point method, while the second one relies on a variationalformulation, an appropriate augmented Lagrangian, an Uzawa iterative algorithm, and finiteelement techniques. Numerical experiments are presented for chemical systems ofatmospheric interest, in order to compute convex envelopes in various spacedimensions.