2.0 Computational Methods. Computational simulations were conducted using Matlab 2017b and 2019a, as well as the supercomputing resources at the Minnesota Supercomputing Institute (MSI). Reactor and dynamic catalysis codes are provided in SI section S1. A model reversible reaction (A ↔ B) was implemented as a gas-phase catalytic reaction system with three reversible elementary steps: (i) reversible adsorption of A, (ii) surface forward and reverse reaction of A* ↔ B*, and (iii) reversible desorption of B. Pre-exponential factors were set to constant values typical for each type of elementary step. For adsorption steps, a preexponential of 10 6 (bar-s) -1 was selected, while a pre-exponential of 10 13 s -1 was used for surface reaction and desorption steps. Surface reaction activation energies (E a,sr ) were calculated based on the specified Brønsted-Evans-Polanyi (BEP) relationship parameters and the heat of reaction for the surface reaction (ΔH sr ) , as shown in Equation . The activation energy of adsorption was set to 0 kJ mol -1 , and the activation energy of desorption was set to the binding energy for each species,