The binary grand-canonical ensemble concerns a crystalline COF immersed in and in thermodynamic equilibrium with an 20 mol%/80 mol% Xe/Kr gas mixture at T = 298 K at P = 1 bar. The system volume Ω comprises a replicated unit 3 E.g., see Refs. 100,101 pertaining to reproducibility issues for adsorption in porous materials across labs. Selfdriving labs can alleviate reproducibility issues. 102 cell of the COF that hosts Xe and Kr adsorbates.