Full-Field Comparison of MRV and CFD of Gas Flow through Regular Catalytic Monolithic Structures

Abstract

Understanding the influence of gas flow maldistribution in honeycombs can be beneficial for the process design in various technical applications. Although recent studies have investigated the effect of maldistribution by comparing the results of numerical simulations with experimental measurements, an exhaustive 3D full-field comparison is still lacking. Such full-field comparisons are required to identify and eliminate possible limitations of numerical and experimental tools. For that purpose, spatially resolved flow patterns were simulated by computational fluid dynamics (CFD) and measured experimentally by non-invasive NMR velocimetry (MRV). While the latter might suffer from a misinterpretation of artefacts, the reliability of CFD is linked to correctly chosen boundary conditions. Here, a full-field numerical and experimental analysis of the gas flow within catalytic honeycombs is presented. The velocity field of thermally polarized methane gas was measured in a regular 3D-printed honeycomb and a commercial monolith using an optimized MRV pulse sequence to enhance the obtained signal-to-noise ratio. A second pulse sequence was used to show local flow propagators along the axial and radial direction of the honeycomb to quantify the contribution of diffusion to mass transport. A quantitative comparison of the axially averaged convective flow as determined by MRV and CFD shows a very good matching with an agreement of ±5% and 10% for printed and commercial samples, respectively. The impact of maldistribution on the gas flow pattern can be observed in both simulation and experiments, confirming the existence of an entrance effect. Gas displacement measurements, however, revealed that diffusive interchannel transport can also contribute to maldistribution, as was shown for the commercial sample. The good agreement between the simulation and experiments underpins the reliability of both methods for studying gas hydrodynamics within opaque monolith structures.