Catalysis Today, Vol.316, 129-141, 2018
Single-event kinetic modeling of ethene oligomerization on ZSM-5
The single-event kinetic modeling approach is extended to the ethene oligomerization process with products including paraffins and olefins, cyclic molecules and aromatics. The reaction network of olefin oligomerization on ZSM-5 with elementary steps of de/protonation, isomerization, alkylation, beta-scission, cyclization and hydride transfer is computer-generated and consists of 10,456 elementary steps involving 2567 species within the up to C-8 range. The fast elementary steps: de/protonation and isomerization are considered to reach quasi-equilibrium. The single-event kinetics approach allows the reduction of the number of independent kinetic parameters to 30. The kinetics of the model was then applied to 13 groups of isomers continuity equation with the kinetic data obtained from experimentation in a fixed bed isothermal reactor. Five space times and three temperatures were investigated. The model parameters were obtained using a combination of the genetic algorithm and the Levenberg-Marquardt approach. The single-events model is capable of correctly simulating the experimental data.