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.
Method | Fitness measure | Number of GCMC simulations | Relative computational time (%) |
Brute force | — | 51,163 | 100 |
GA | ΔN1 | 340 | 0.66 |
![]() | 322 | 0.63 | |
APS | 268 | 0.52 |