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Energetic evaluation of swing adsorption processes for CO2 capture in selected MOFs and zeolites: effect of impurities

D. Bahamon, A. Díaz-Márquez, P. Gamallo, L. F. Vega.
Chem. Eng. J., 324 (2018) 458.

Simulated adsorbent materials and pollutants used in swing adsorption processes.

A systematic computational study of Mg-MOF-74, CuBTC and zeolite 13X for CO2 separation from multicomponent flue gas mixtures is presented. The impurities’ impact was evaluated at the molecular level and process conditions. Results show that NO2 has a negligible effect in the studied range. For H2O and SO2 the energy requirements are reduced as the impurity content increases and recovery and purity increase, up to an optimal point where a competition for CO2 preferred adsorption sites produces a sharp drop in purity and the energetic index grows exponentially.