Effect of Particle Shape on Catalyst Deactivation during 2-Butene and Isobutane Alkylation of Liquid Phase in Fixed-Bed Reactor Using Particle-Resolved CFD Simulation

How catalyst shape affects its deactivation is a crucial issue for quickly decaying catalysts such as zeolite in 2-butene and isobutane alkylation. In this work, steady simulations are used to determine the temperature and species distribution in fixed beds filled with particles of four shapes. Subsequently, unsteady simulations are used to study the deactivation behavior of the catalysts based on the steady simulation results. We describe the deactivation rate and type of catalyst deactivation by defining a local internal diffusivity, which is affected by catalytic activity. The results reveal that the internal diffusion distance of the catalyst determines the deactivation rate, whereas the local internal diffusivity determines its deactivation type.