Rate constants were constructed as Arrhenius expressions using pre-exponential factors and activation energies for adsorption, desorption, and surface reactions . Pre-exponential factors were set to 10 6 (bar-s) -1 for adsorption steps and 10 13 s -1 for surface reaction and desorption steps. These values are typical starting points when fitting microkinetic models to experimental data. Activation energy was set to 0 kJ/mol for adsorption and to the binding energies (BEs) of A and B for their respective desorption steps. The binding energies for A and B, the surface reaction activation energy (E a ), and the surface enthalpy of reaction were selected; the base conditions were BE A = 1.3 eV, BE B = 1.0 eV, E a = 102 kJ mol -1 , ΔH sr = 0 kJ/mol, and ΔH ovr = -20 kJ/mol. Brønsted-Evans-Polyani relationships between E a and BEs were held at a constant offset (E 0 ) of 102 kJ/mol and the slope of the relationship, α, was varied (0 < α < 1.0). These values fall within previously observed ranges for experimentally derived BEP parameters and resulted in volcano peak TOFs between 0.1-10 s -1 . Thus, the activation energy was expressed as a linear function of the surface enthalpy of reaction, ΔH sr (i.e., the difference in binding energies between A* and B* plus the overall enthalpy of reaction from A  B): E a = α*ΔHsr + E 0 (12) Volcano plots were generated by varying ΔH sr and measuring the time-averaged turnover frequency (TOF) at 1.0 % overall yield of B. Turnover frequency was defined as 𝑇𝑂𝐹 = [𝐵] q# 𝑜𝑓 𝑠𝑖𝑡𝑒𝑠 for the CSTR design equation, so in practice q̇ (the gas flowrate [=] L/s) was adjusted until the outlet yield of component B was 1.0 %. Variation in the BEP slope (0 < α < 1.0) resulted in surface reaction activation energies (25 < E a < 170 kJ/mol) between binding energies of 0.5 and 2.0 eV, which are comparable with a broad range of reactions described in the literature. Dynamic catalysis was simulated by running ODE15s for a system where BEs varied with time on stream as square, sinusoidal, triangle, or sawtooth waves. Binding energy changes for A* and B* were specified in the shell code, and these shifts resulted in varying ΔH sr and E a . Oscillation period/frequency was set by specifying the time duration spent at each condition. Reported TOFs were calculated when the system oscillation was centered on 1.0 % yield of B and after the reactor had achieved oscillatory steady state, defined as a steady time-averaged turnover frequency. Example time on stream data for dynamic catalysis can be found in the supporting information section S4.