Porous microstructure affects overall performance of both catalysts and filters used in industrial applications in terms of mass transfer effects. We work on 3D digital reconstruction of porous materials based on images from X-ray tomography (XRT), electron tomography (ET) and other imaging techniques, including segmentation of multiple phases. The reconstructed media are the transformed into computational domains where transport (flow, diffusion) and reactions are simulated in pore-scale. The spatially averaged results provide predictions of effective diffusivity, permeability, reaction effectiveness factor and local filtration efficiency. These parameters can be the employed in full-scale simulations of the reactor or filter device. This multi-scale approach allows to evaluate the impact of microstructure on the performance of the entire device in terms of conversion, pressure drop and overall filtration efficiency. This in turn guides synthesis of novel porous structures and preparation of catalytic coatings with advanced functional properties.
- Digital reconstruction of porous materials from 3D images
- Time-resolved X-ray tomography for observation of structural changes
- Development of advanced pore-scale models for flow, diffusion, reaction, filtration and transformations
- Computational fluid dynamics (CFD) combined with discrete element methods for solid particles (DEM)
- Prediction of overall performance using multi-scale methodology
- Simulation of processes during catalyst preparation and coating
- Enhancement of catalyst pore structure
- Optimum distribution of catalytic coating in a filter
- Multi-layer and multi-functional catalytic coatings