The microstructure of porous materials used in heterogeneous catalysis determines themass transport inside networks, whichmay\nvary over many length scales. The theoretical prediction of mass transport phenomena in porous materials, however, is incomplete\nand is still not completely understood. Therefore, experimental data for every specific porous system is needed. One possible\nexperimental technique for characterizing the mass transport in such pore networks is pulse experiments. The general evaluation\nof experimental outcomes of these techniques follows the solution of Fick�s second law where an integral and effective diffusion\ncoefficient is recognized. However, a detailed local understanding of diffusion and sorption processes remains a challenge. As\nthere is lack of proved models covering different length scales, existing classical concepts need to be evaluated with respect to\ntheir ability to reflect local geometries on the nanometer level. In this study, DSMC (Direct Simulation Monte Carlo) models were\nused to investigate the impact of pore microstructures on the diffusion behaviour of gases. It can be understood as a virtual pulse\nexperiment within a single pore or a combination of different pore geometries.
Loading....