Predictive pore-scale modelling of chemical transport in technical porous media

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This project aims at developing a so-called pore-network model to simulate chemical transport in industrial applications, such as reactors packed with sorbents or catalysts. 3D imagery of these technical solids will be used to recreate realistic pore-network geometries on which the model will be solved numerically. Simulations results will be evaluated against laboratory data and extended to estimate parameters that are difficult to measure experimentally. A novel ability to link local (pore) scale processes and the macroscopic scale (network) of the engineering application will provide the required insight for the rational design of materials and the chemical processes deploying them.