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water molecules adsorbed at higher pressures (e.g. at 20bar), the competition leads to the decrease of the CO2 adsorption capacity compared to the binary mixture. In addition, when CuBTC is exposed to 0.1% H2O, its CO2 adsorption capacity in mixtures significantly decreases. For instance, at 10bar the uptake reduction is about 55% (from 4.9 to 2.1 kmol/m3). A complete different behavior is observed for zeolite 13X: as H2O molecules are pre-adsorbed in the pores, the CO2 capacity decreases with the decrease of adsorption sites available on the porous surface. At 0.1% H2O, the material becomes completely useless for CO2 separation: water precludes any adsorption of CO2 and N2. Conversely, compositions of water in the stream affect the CO2 uptake on Mg-MOF-74 in less extend than for CuBTC and 13X, being more notorious at higher pressures. For instance, for a mixture with 0.1% H2O in the flue gas, a visible reduction in the isotherm is obtained for pressures above 2bar. Regarding the other two impurities, SO2 reduces the CO2 capacity in 13X in greater manner than in the two MOFs structures, while the presence of NO2 in the mixtures has almost no effect in the adsorption process: the maximum reduction for CO2 uptake is seen in CuBTC, where the value decreases from 3.5 kmol/m3 in the binary mixture to 3.3 kmol/m3 in the presence of 0.1% of NO2 at 10bar. As above-mentioned, the isosteric heat of adsorption is an important property to be considered to assess the performance of the materials. For multiple molecules adsorbed at different sites of the structure, relatively different energy values will be obtained for each one, allowing a sampling assessment. Therefore, to identify adsorption features on the frameworks, distribution profiles of the isosteric heats were calculated at pure and mixture conditions for the different gas molecules. 25PDF Image | swing adsorption processes for CO2 capture in selected MOFs and zeolites
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