Efficient material descriptions for modelling high-temperature processes

The transition to more sustainable metal production is receiving much attention at present, and the iron and steel industry is at the centre of the conversation. New, more environmentally friendly production technologies, such as direct reduced iron (DRI) smelting furnaces, need to be developed in a short period of time. This necessitates increased use of computational modelling that incorporates more accurate material descriptions. The combination of large-scale multiphysics models of high-temperature processes with CALPHAD material descriptions leads to infeasible computation times. This can be resolved with the previously reported RapidThermo framework, which has been demonstrated to make equilibrium calculations orders of magnitude faster, within controllable limits of accuracy. In this paper, we explain how further material properties, which are important to modelling high-temperature reactors, can be added to the RapidThermo framework. This can improve the accuracy and usefulness of process and multiphysics models in the development of new technologies, which can significantly accelerate development cycles.