MSE 2022
Lecture
28.09.2022
Accuracy and consistency of thermochemical data for circular materials
MT

Dr. Moritz to Baben

GTT-Technologies

Aras, C. (Speaker)¹; Keuter, P.¹; Tang, F.¹; to Baben, M.¹
¹GTT-Technologies, Herzogenrath
Vorschau
20 Min. Untertitel (CC)

Circular materials depend on efficient recycling and materials valorisation. For this, it is important to know how different elements interact with each other. Thermochemical data are the primary source to model or just estimate what materials mix and what processes can be used to separate elements. In this contribution, consistency of the different humanly curated thermochemical databases in FactSage and high-throughput calculated ab initio databases (materialsproject.org and oqmd.org) are assessed. Possibilities, challenges and limitations for machine learning-based approaches to generate thermochemical data for circular materials are discussed.

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