Oxidic Systems: A Combined Modelling and Experimental Approach

Additonal authors: Verbeken, K.. Book title: Proceedings of the 58th Conference of Metallurgists Hosting Copper 2019. Chapter: . Chapter title:

Proceedings, Vol. Proceedings of the 58th Conference of Metallurgists Hosting Copper 2019, 2019

Bellemans, I.

In this work, we present a phase field model to simulate the facetted crystallization of Fe3O4 in a quaternary FeO-Fe2O3-Cu2O-SiO2 melt under different partial pressures of oxygen. An important focus in creating more realistic phase field models is the incorporation of the thermodynamic driving forces in multicomponent multiphase-field models by coupling to thermodynamic databases. The diffusion of FeO, Fe2O3 and Cu2O is considered. The ratio of FeO/Fe2O3 at the upper boundary is in equilibrium with the oxygen fugacity of the atmosphere, while conserving Fe. Two-dimensional simulations are performed with different varying oxygen fugacity in the atmosphere. For the considered composition range, the growth velocities of the spinel crystals increase with decreasing oxygen fugacity. INTRODUCTION Crystallization of silicate melts has its applications in geology, pyrometallurgy and glass making. In pyrometallurgy, the solidification of slags influences the freeze lining behaviour (Campforts et al., 2007) and the cooling of slag after tapping (Durinck, Jones, Blanpain, & Wollants, 2008). Modeling of silicate melt crystallization is frequently done on the macroscopic level, using thermodynamic equilibrium calculations to determine the fractions of all phases as a function of temperature. The Factsage software and database package (Bale et al., 2016, 2009, 2002) already proved its usefulness in pyrometallurgical applications, for example to model the phase mixture after solidification of a stainless steel slag (Durinck et al., 2008). Crystallization of phases typically results in complex morphologies on the mesoscale, e.g. dendrites or facetted growth. On this mesoscale, the phase field concept has proved to be a very powerful tool (Moelans, Blanpain, & Wollants, 2008) for modeling crystallizing microstructures, because it can treat arbitrarily complex interface shapes with minimal mathematical complexity. In contrast to macroscopic models, the diffusion profiles and crystallization kinetics can be described as well as the morphology of individual crystals. First, Kobayashi (Kobayashi, 1993) simulated a growing dendrite in a pure undercooled metallic liquid. Then, Warren and Boettinger (1995) simulated a dendrite in an isothermal system considering a binary alloy. The extension to multi-phase systems was done by Steinbach et al. (1996). This was further extended by Tiaden, Nestler, Diepers, and Steinbach (1998) to a framework with coupled diffusion and phase field equations in multi-component systems.
Keywords: Copper 2019, COM2019