Table 1 Comparison of computational effort for brute force search versus GA.

ΔN₁ is the CO₂ working capacity, is the CO₂/H₂ selectivity, and APS is the adsorbent performance score, as defined in Eqs. 1 to 3. The number of GCMC simulations for the GA search corresponds to the number of simulations carried out up to 10 generations.