Numerical simulation of the steam reforming of toluene in a fixed-bed catalytic reactor to produce hydrogen

Abstract

High-temperature heat and mass transfers and thermochemical performances of the steam reforming of toluene in a fixed-bed reactor (FBR) were numerically investigated along operating time. A mathematical model was developed to simulate the heat and mass transfer processes coupled with thermochemical reaction kinetics in FBR. The model is described by a system of partial differential equations (PDEs), which are solved using the CIEA (coupled integral equation approach) technique and FORTRAN 95 language code that allowed obtaining data about the temperatures profiles, conversion of toluene and hydrogen production. As a result, it was allowed to validate the conversion of toluene as well as the selectivity of hydrogen by comparison of the simulated results against experimental data of the literature. In addition, the average temperature profiles of the gas and solid phases, and heat flux were studied using the effect of the fluid-particle heat transfer coefficient. The yield of hydrogen and selectivity of the gaseous products were also evaluated in this work. On the other hand, the selectivity of hydrogen was investigated using the effect of the inlet concentration of hydrogen as a function of the operating time. Simulated results of toluene and methane were also studied to check the selectivity level of these gaseous reactants.