Molecular traffic control for a cracking reaction

We investigate the conditions for reactivity enhancement of a catalytic cracking process in porous crystalline solids using the concept of molecular traffic control (MTC). Using dynamic Monte Carlo simulations we obtain a quantitative description of the MTC effect for a bimodal network of intersecting size-selective channels over a wide range of grain parameters, diffusivities and reaction constants, and external operating conditions. The results are compared with those obtained on a similar network but with only one type of channels, called the reference system. We find significant reactivity enhancement in the MTC system with respect to the reference system. This effect is observed to increase with the grain size, and also with longer segments between lattice intersections. We find that in certain regions of the microscopic reaction rate the reactivity enhancement is up to 68%.