Mathematical Modelling of the Steam Reforming of Toluene for Fuel Gas Production in a Fixed Bed Catalytic Reactor

Abstract

The study presents a mathematical model to analyze the dynamic evolution of molar concentrations for toluene (C₇H₈), water vapor (H₂O) carbon monoxide (CO), hydrogen (H₂), methane (CH₄) and carbon dioxide (CO₂) in fixed bed catalytic reactor. The mathematical model was discretized using the method of lines (MDLs) to transform the system of partial differential equations (PDEs) in a system of ordinary differential equations (ODE). The system of ODEs has been solved by the implementation of the Runge- Kutta Gill to estimate the chemical species C₇H_8, H_2, CO, H_2, CH₄ and CO₂.The estimation allows the quantification of individual forecasts of the variables presented in this study. However, valuable information can be obtained from the estimated behaviors in fixed bed catalytic reactor. The model has allowed the validation of chemical species (H_2, CO and CO₂) by comparing the optimized values. Additionally, the concentrations for the chemical species C₇H_8, H_2, CO, H_2, CH₄ and CO₂ was studied.