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3.2. CO2/N2 mixtures behavior without and with impurities In an industrial post-combustion stream, in addition to nitrogen, CO2 is accompanied by other compounds; hence, it is necessary to investigate the adsorption behavior in the presence of these contaminants for an accurate assessment of the performance of the material at process conditions. A typical composition for a post- combustion flue gas from coal-fired power plant contains 70–75% N2, 15% CO2, 3-4 % O2, 5–7% water and traces of other species106 (500 ppm NOx and up to 2,000 ppm SO2 when burning high-sulfur coals107). After previous impurity removal stages, the final temperature and pressure conditions are maintain close to 313-333 K and 1 bar, respectively, and some impurities remain as traces108. In this study, H2O, SO2 and NO2 impurities concentrations were varied from a few tenths ppm up to 1%, keeping CO2 in 15% and N2 as the surplus. Since oxygen showed very similar behavior than nitrogen when adsorbed onto all three structures, O2 was neglected for mixtures simulations. Figure 3 shows CO2 adsorption isotherms for CuBTC, Mg-MOF-74 and zeolite 13X, and their different behavior under several evaluated conditions: as pure component, for binary mixture and for 0.1% (i.e., 1,000ppm) of impurity (H2O, SO2 and NO2) in the stream. Since water shows the strongest affinity, 0.01% H2O composition was also included. As shown by some authors, the presence of unsaturated metal sites in CuBTC enhances the separation of CO2 as water molecules coordinate with the metal clusters.30,32 This behavior can be seen for the ternary mixture with 0.01% H2O in the flue gas, where the adsorption isotherm of CO2 in CuBTC shows an increase after a total water coordination at a pressure of 8bar (see Figure 3). Nevertheless, the induced enhanced selectivity results in competition sites between water and CO2, and finally, with more 24PDF Image | swing adsorption processes for CO2 capture in selected MOFs and zeolites
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