Computational Fluid Dynamics Simulation of a Three-Dimensional Catalytic Layer for Decane Oxidation: Case Study of Reaction on Particle Surface

Abstract

Computational fluid dynamics (CFD) simulations of a reactive catalytic layer of micrometer-sized particles with a submicrometer interparticle distance for decane oxidation are described. The investigation used two main approaches. The heterogeneous approach simulates particles at the reactive particle surface, by use of a monodispersed face-centered cubic structure of eight unit cells in series. In contrast, the pseudohomogeneous approach investigates the particle system as a homogeneous system (approximation) having dimensions and geometrical properties (tortuosity and porosity) identical to those of the heterogeneous one. Heterogeneous system results show that mass transfer resistance can be regarded as negligible in the whole range of parameters investigated (temperature and interparticle distance). Particularly, the difference in results obtained by the two approaches is negligible up to the highest temperature considered (400 °C), with a maximum discrepancy of about 2.4%. An analogous result is found...