Adsorbenssynthese und Mehrskalenmodellierung von CO2-Einfang/Adsorbent Synthesis and Multi-scale Modeling of Carbon Capture

• Applicants: Professor Dr. Frerich Keil; Professor Berend Smit
• Subject Area: Chemical and Thermal Process Engineering ; Theoretical Chemistry: Molecules, Materials, Surfaces
• Term: from 2011 to 2019
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 205675079

Carbon dioxide emissions from fossil fuel combustion are considered a major contributor to climate change. The CO2 emission can be reduced considerably by post-combustion capture of CO2 adsorbed from power plant flue gas using zeolites or MOFs. A particular problem is the strong adsorption of water inside many nanoporous materials. Prominent examples are open metal site MOFs. One objective of the present proposal is to computationally study and characterize the water adsorption phenomena in nano-porous materials. A theoretical model to interpret the water adsorption behavior in the pores of nano-porous materials will be developed, also a working mixed-gas model to predict physical properties of water containing flue gases at various conditions inside nano-pores. Furthermore, the parasitic-energy model will be extended by including water. A parasitic energy look-up tool will be integrated into a full-fledged open source carbon capture platform. In order to design adsorbers/desorbers multi-component self-diffusion and transport-diffusion coefficients of the flue gas components and their mixtures will be calculated. Finally, a technical concept of a fuel carbon capture plant will be designed.

• DFG Programme: Priority Programmes
• Subproject of: SPP 1570: Porous Media with Defined Porous Structure in Chemical Engineering - Modelling, Applications, Synthesis
• International Connection: Switzerland