Spokeperson: Prof. Dr. Frerich Keil
Duration: 2011 - 2019
GEPRIS Info
The problem of handling transport processes and reactions in porous media has been part of process engineering since the 1930s. Catalyst carriers, membranes, adsorbents, chromatography columns and materials to be dried, such as coal or peat, are porous. The porous solid structure was initially modeled as an effective medium. At the beginning of the 1950s, more detailed modeling of the pore structure slowly began, which took off rapidly in the 1990s. For the first time, about five groups worldwide solved optimization problems based on pore structures according to predefined criteria, which clearly showed that the optimization of pore structures is worthwhile, e.g. to increase the yields of catalysis processes. However, there was one major obstacle: it was not possible to produce the optimum structures in a targeted manner.
This situation has changed drastically in the last ten years. By using new template techniques, new precursors, polymer-controlled phase separation with e.g. polyethlyene oxide (PEO), direct foaming processes and lithographic methods etc., it has now become possible to produce pore structures on the nano, meso and macro scale according to specifications. This enables the controlled synthesis of calculated optimal structures. The term "engineered porous materials" has therefore been coined in recent years. Furthermore, significant progress has been made in the characterization of porous materials in recent years, on the one hand due to significantly better models, such as the non-local density functional theory (NLDFT), and on the other hand due to imaging techniques, such as magnetic resonance imaging (MRI), multidimensional NMR or the combination of physisorption experiments with small-angle X-ray scattering (in situ SANS/SAXS physisorption). MRI allows in-situ observation of gas compositions and liquid distributions inside individual pellets with a local resolution that was not possible a few years ago, as well as the measurement of diffusion coefficients. In recent months, it has been possible for the first time to describe reactions in zeolites at the molecular level, including diffusion processes up to the reactor, using multi-scale methods.
The new possibilities of synthesis, characterization and modelling are to be used for process engineering applications in the proposed focus area. To this end, process engineers and relevant synthesis chemists as well as materials scientists will jointly explore the potential of defined pore structures in process engineering. The main areas will be modeling, applications and synthesis of defined pore structures in process engineering. Some paradigmatic examples will be used as applications, mainly from the field of environmental protection and energy technology, e.g. adsorption of fluids, membrane separations and reactors, drying technology, catalytic multiphase reactors, purification of power plant exhaust gases. The porous materials used are to be synthesized according to the specifications of optimal process engineering requirements and then tested in operation. In order to gain deeper insights into the relationships between pore structure and properties, detailed pore models and models of the reaction/diffusion processes are to be created, in individual cases down to molecular resolution (Monte Carlo, molecular dynamics, DFT), the data of which are to be tested using the measurement methods mentioned. In particular, analogies in the modeling of various process engineering applications are to be worked out.