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- Neal R. Amundson, Alexandre Caboussat, J. W. He, Alexander Martynenko, V. B. Savarin
- 2005

A variety of thermodynamic models have been developed to predict inorganic gas-aerosol equilibrium. To achieve computational efficiency a number of the models rely on a priori specification of the phases present in certain relative humidity regimes. Presented here is a new computational model, named UHAERO, that is both efficient and rigorously computes… (More)

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… (More)

A numerical model for the simulation of three-dimensional liquid-gas flows with free surfaces and surface tension is presented. The incompressible Navier-Stokes equations are assumed to hold in the liquid domain, while the gas pressure is assumed to be constant in each connected component of the gas domain and to follow the ideal gas law. The surface… (More)

- Alexandre Caboussat, 1 M. Picasso, Jacques Rappaz

A numerical model for the three-dimensional simulation of liquid-gas flows with free surfaces is presented. The incompressible Navier-Stokes equations are assumed to hold in the liquid domain. In the gas domain, the velocity is disregarded, the pressure is supposed to be constant in each connected component of the gas domain and follows the ideal gas law.… (More)

Mathematical and numerical aspects of free surface flows are investigated. On one hand, the mathematical analysis of some free surface flows is considered. A model problem in one space dimension is first investigated. The Burgers equation with diffusion has to be solved on a space interval with one free extremity. This extremity is unknown and moves in… (More)

A general equilibrium model for multiphase multicomponent inorganic atmospheric aerosols is proposed. The thermodynamic 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 algorithm solving the Karush-Kuhn-Tucker conditions is detailed. An active set/Newton method… (More)

- Alexandre Caboussat, Jacques Rappaz
- Numerische Mathematik
- 2005

A one-dimensional free surface problem is considered. It consists in Burgers’ equation with an additional diffusion term on a moving interval. The well-posedness of the problem is investigated and existence and uniqueness results are obtained locally in time. A semi-discretization in space with a piecewise linear finite element method is considered. A… (More)

- Alexandre Caboussat, Vincent Maronnier, Marco Picasso, Jacques Rappaz, Jacques Rappaz
- 2003

A numerical model is presented for the simulation of free surface flows. The unknowns are the volume fraction of liquid, the velocity and pressure in the liquid and the pressure in the bubbles of gas which can appear in the liquid flow. The volume fraction of liquid satisfies an advection equation, the pressure in each bubble is uniformly constant in space… (More)

[1] Computation of phase and chemical equilibria of water-organic-inorganic mixtures is of significant interest in atmospheric aerosol modeling. A new version of the phase partitioning model, named UHAERO, is presented here, which allows one to compute the phase behavior for atmospheric aerosols containing inorganic electrolytes and organic compounds. The… (More)

Free surface flows are of most interest in many engineering or mathematical problems and many methods have been developed for their numerical resolution in various fields of the physics or the engineering. In this work, the volume-of-fluid method is used for the numerical simulation of two-phase free surface flows involving an incompressible liquid and a… (More)