Computational Thermodynamics for High Temperature *Sustainable Processes

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The CRC in Computational Thermodynamics for High Temperature Sustainable Processes aims to provide the best thermodynamic, phase equilibrium and phase property models for the simulation of high temperature metallurgical and energy processes for the strategic development, and recycling, of Canadian mineral and metal resources. Modeling tools are essential for the efficient development of materials & sustainable processes. Thermodynamics is one of the most fundamental aspects of modeling in materials science (alloys, metallurgical processes) and chemical engineering (energy). Thermodynamic models, as Gibbs energy function of temperature, pressure and internal composition of phases of a chemical system, can not only be used to predict the enthalpy, heat capacity of a given phase assemblage, but they can also be used to compute phase equilibrium by Gibbs energy minimization, which allows to estimate the solubility limits, transformations and reactions in a chemical system. These data are critical for the improvement of existing processes and the design of new ones.