To assess catalytic reactor performance and extent of reaction of dynamic catalytic systems, simulations were conducted using a batch reactor charged with 100 bar of initial gas at varying composition of A and B with a fixed amount of catalyst with dynamically varying surface binding energies. Figure depicts the time-resolved gasphase composition within the catalytic batch reactor (100 bar, 250 °C) with seven different initial compositions of A and B. Dynamic surface binding energy of the catalyst was applied for 200 seconds of square wave of amplitude 0.5 eV and 1000 Hz, after which the system was converted to static catalysis (in this case at the volcano plot peak binding energy).