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- W2944833099 abstract "Pure CO2 and N2 adsorption isotherms on MCM-41 were simulated by Grand Canonical Monte Carlo method. The results showed a reasonable agreement with literature reported data. The CO2/N2 selectivity was determined for the pure phase and binary mixture. Nevertheless, competitive adsorption improved the selectivity but decreased adsorption amount of each gas. The effect of impurity on CO2/N2 selectivity was also simulated in a ternary mixture in the presence of water, NO2, and SO2 molecules. Also, an isosteric heat calculation and radial distribution function analysis were performed to prove that the water molecules interact more with MCM-41 than other gases." @default.
- W2944833099 created "2019-05-29" @default.
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- W2944833099 date "2019-08-01" @default.
- W2944833099 modified "2023-09-23" @default.
- W2944833099 title "The effect of impurity on the separation of CO2 from N2 by MCM-41: A simulation study" @default.
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- W2944833099 doi "https://doi.org/10.1016/j.chemphys.2019.05.014" @default.
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