Coupled Thermodynamic and Multiphysics Modelling in Pyrometallurgical Process Simulation

Modelling of pyrometallurgical processes can become extremely challenging when the process involves complex chemical reactions, phase change, multiphase flows, heat and mass transfer and fluid flow. Traditionally modelling involving complex thermodynamic equilibrium and thermochemistry are treated separately from problems in which transport phenomena are dominant, such as CFD and heat transfer studies. The separation is also necessary due to the lack of modelling tools that can effectively couple both solution thermodynamic and transport phenomena or even multiphysics problems. However, there are, quite often, problems in high temperature process metallurgy in which it is not possible to simplify this two modelling approaches. Typical cases of this are for example, the modelling of slag freezing on furnace walls (electric or flash furnaces) to create a protective layer in front of the refractories hot wall, the formation of build up from the matte or metal phases at the hearth of the furnace, calcine smelting from charging piles into slag phase, etc. The problem is even more challenging in nonferrous pyrometallurgy as most, if not all, of the condense phases are highly non ideal solutions involving several components and exhibiting complex crystallization paths and miscibility gaps, such as the Fe-Ni-Cu-S matte, FeO-Fe2O3-SiO2, FeO-MgO-SiO2 slags, etc. In this paper, an approach to model coupled problems involving multiphysics and solution thermodynamic is presented. The approach consists in developing in-house a library containing the Gibbs energy minimization routines and using the local equilibrium concept for process modelling from a multiphysics commercial software (COMSOL). Simple test cases, such as building a non-ideal binary phase diagram on a CFD package is presented, the limitations and of other classic approaches such as equilibrium or Scheil cooling are discussed and compared to this model.