Prediction of mixed-gas adsorption equilibria from pure component adsorption isotherms

Using only a single binary interaction parameter per adsorbate-adsorbate pair, the adsorption nonrandom two-liquid theory successfully correlates binary gas adsorption experimental data and predicts multicomponent gas adsorption equilibria. This work estimates the binary adsorbate–adsorbate interaction parameters from pure component isotherms and shows very promising agreement with the binary interaction parameters identified from regression of binary gas adsorption data. The results support the feasibility to predict binary and multicomponent gas adsorption equilibria from pure component isotherms for various adsorbents including silica gel, activated carbon, zeolites, and metal–organic frameworks.