Thermodynamic properties and interaction of filter materials and inclusions (A04)

• Subject Area: Thermodynamics and Kinetics as well as Properties of Phases and Microstructure of Materials
• Term: from 2011 to 2023
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 169148856

The main focus of the project is the elucidation of the polymerization reactions and pyrolysis processes of lactose/tannin compounds to improve the carbon yield in novel environmentally friendly filters by the coupling of density functional theory with Raman spectroscopy. By means of in-situ Raman measurements (process monitoring), intermediates and by-products are identified and the influence of possible admixtures on the graphitization of carbon materials will be clarified. Understanding the polymerization and pyrolysis reactions will be the focus of the theoretical work, using a new method for self-interaction-correction based on Fermi-Löwdin-orbitals (FLO-SIC).

• DFG Programme: Collaborative Research Centres
• Subproject of: SFB 920: Multifunctional Filters for Metal Melt Filtration - a Contribution to Zero Defect Materials
• Applicant Institution: Technische Universität Bergakademie Freiberg
• Project Heads: Dr. Cameliu Himcinschi, since 7/2019; Professor Dr. Jens Kortus