Numerical analysis of reaction kinetic accompanying flow and dispersion in structured ZSM-5@SiC open-cell foam catalyst

Chaotic flow inside porous media accelerates the transport, mixing, and reaction of molecules and particles in widespread natural and factitious processes. Current macroscopic models based on the average pore-scale variations show obvious limitations in the prediction of many chemical processes. In this article, we reconstruct microscopic foam structures using micro-computed tomography to simulate fluid flow in structured ZSM-5@SiC foam catalyst. Moreover, we propose a conceptual model based on the microscopic mean square displacement theory to characterize the effective dispersion inside an open-cell foam. This model will explain the flow characteristics of confined fluid inside the porous media from fluid elements perspective. Particularly, dispersion factor and structure factor, as key parts of this model, perfectly interpret the driving characteristics of pressure drop, velocity different, and reaction in continuous foam media flow. This work also provides a unique means of predicting reaction kinetics of confined fluid in structured foam catalyst.

Automated summary

Chaotic flow inside porous media is important for various natural and artificial processes. Current macroscopic models have limitations in predicting chemical processes. In this article, we use micro-computed tomography to reconstruct foam structures and propose a conceptual model based on microscopic mean square displacement theory to characterize effective dispersion in open-cell foam. This model explains the flow characteristics of confined fluid and provides a means of predicting reaction kinetics in structured foam catalyst.