Numerical Simulation of Hindered Diffusion in γ-Alumina Catalyst Supports

Abstract

By employing multi-scale random models of γ-alumina, we have studied the influence of porosity, grain aspect ratio and aggregation state on the effective diffusion coefficient. Multi-scale Boolean models of platelets were used to produce digital volumes reproducing the alumina porous space. Iterative fast Fourier transform numerical simulation of Fick’s diffusion were performed on the volume to obtain the effective diffusion coefficient. The tortuosity factors of the various simulated models show a simple dependence with pore volume fraction with an exponent guided by the platelet aspect ratio and the aggregation state. Comparisons with proton pulsed-field gradient nuclear magnetic resonance spectrometry show a satisfactory agreement.