Molecular-Level Kinetic Modeling of Catalytic Naphtha Reforming

A molecular kinetic model of catalytic naphtha reforming was developed by using data generated from tests conducted under well-controlled process conditions. Thirty-seven species, comprising 15 pure components and 22 pseudocomponents in the C1-C10 range, were formulated. A set of 181 reactions was incorporated into the kinetic model, including dehydrogenation, dehydrocyclization, hydrodecyclization, isomerization, dealkylation, hydrocracking, and ring opening. Reversible reactions were considered to be separate forward and backward reactions, and the catalyst deactivation function was also included. The model allowed the estimation of 181 pre-exponential factors and activation energies for nine types of reactions. The estimated kinetic parameters were in accordance with process chemistry. The parity plots showed good matching of the experimental and mode-predicted data with coefficient of determination (R²) values in the range of 0.77-0.99 for the seven hydrocarbon groups. The molecular kinetic model was validated using a set of data obtained at different temperatures and with another type of feedstock.