(440b) 3d Simulation of Packed Particle Bed and Transport Properties Prediction for Product Optimization through Virtual Experiments

Real-life packed-particle systems are heterogeneous in nature. The microstructure of the pore-space in them has immense influence on their bulk transport properties. Hence, a quantitative geometrical characterization of the pore-space is crucial for accurate prediction of packed bed transport. Realistic packed-particle beds are generated through three-dimensional Monte Carlo gravitational simulation. A mathematical morphology based image processing algorithm is developed to characterize the pore space in the simulated bed. This algorithm calculates the bulk porosity, average particle contact numbers, and specific surface area of the packed system. It also generates the pore-throat network with details of pore size, location, and throat tortuosity distribution. Reconstruction of simulated packed bed, given a specific size distribution of constituent particles, followed by pore-space characterization gives a powerful as well as economic predictive tool for virtual product design; saving resources needed for numerous laboratory-based experiments before an optimization of the product design can be achieved.