Kinetic Modeling of Benzothiophene Catalytic Conversion Over a H-ZSM5 Based Catalyst

Abstract

This study reports a mechanistic based kinetics for the catalytic desulfurization of light diesel hydrocarbons using a zeolite catalyst based on H-ZSM5. An original “parallel” heterogeneous kinetic model assuming a Langmuir–Hinshelwood mechanism is developed. It is based on the experimental data obtained in the CREC Riser Simulator, using benzothiophene/n-dodecane mixtures at mild temperatures (350–450 °C) and short contact times (3, 5, and 7 s). A lump reaction network is proposed involving benzothiophene, coke-on-catalyst, alkyl-benzothiophene, n-dodecane, and n-dodecane cracking products (paraffins, olefins, and aromatics). The adsorption and intrinsic kinetic model parameters are successfully estimated using regression analysis and a rigorous statistical analysis. The estimated parameters with low spans for the 95% confidence interval and low cross correlation coefficients are able to predict well the experimentally observed products. This developed kinetic model is of great value for the scaling-up o...