Development and evaluation of a new particle tracking solver for hydrodynamic and mass transport characterization of porous media – A case study on periodic open cellular structures
S. Trunk; A. Brix; H. Freund
Chem. Eng. Sci. 244 (2021) 116768
Abstract
The detailed understanding of local mass transport characteristics in porous catalyst supports is essential for the evaluation of their performance in reaction engineering applications. This applies particularly for the development and assessment of novel concepts such as additively manufactured periodic open cellular structures (POCS). A major drawback of the frequently used Eulerian based mass transport simulation methods is their tendency to overestimate molecular diffusion due to artificial numerical diffusion, especially in the range of high Péclet numbers (boundary-layer dispersion and pure mechanical dispersion regime) that is often encountered in industrial applications.
To overcome this problem, we present a new efficient solver implementation for the OpenFOAM simulation toolbox based on the Lagrangian Random Walk Particle Tracking method to calculate the mass transport via a deterministic convective and a stochastic diffusion term. Besides the numerical calculation of effective diffusion as well as dispersion coefficients, the new solver is also capable of analyzing residence time behavior, flow tortuosity and contact patterns with catalytically active surfaces of catalyst support structures in detail. Following a thorough validation study, we demonstrate the evaluation options provided by the results of this new solver named disTrackFoam on the example of three POCS with distinct unit cell types.