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- W4296229046 abstract "The separation of C2H2 from CO2 is an important process for industrial achievement of gaseous precursor C2H2, which is yet challenged by the well-known trade-off between capacity and selectivity derived from their close physical properties (such as the nearly identical kinetic molecular sizes). Herein, we experimentally screen a series of Hoffman-type metal organic frameworks (MOFs) and regulate the pore size and functionality by introducing different metal cation and organic linkers. We find that among the obtained MOFs, a Ni2+ based MOF (termed as Ni-Pz) shows the best performance of efficient C2H2 separation from CO2, featuring both high capacity (106 cm3/g) and selectivity (10.8). Moreover, to the best of our knowledge, Ni-Pz has never been explored in C2H2 related separation before and is the only MOF that balances the adsorption capacity (>100 cm3/g), selectivity (>10), adsorption heat (<45 kJ/mol) and stability (>400 °C; pH = 1–12). Grand Canonical Monte Carlo (GCMC) simulations reproduce the experimental results and reveal several typical binding configurations of C2H2/CO2 in Ni-Pz. Density functional theory calculations corroborate that the binding configurations from GCMC are very stable and that C2H2 has stronger binding affinity inside the cavity of Ni-Pz than CO2. Practical separation performance is further demonstrated by dynamic breakthrough experiments with good recyclability. Overall, our findings highlight that the Ni-Pz MOF screened from various Hoffman-type MOFs is an excellent candidate for industrial application." @default.
- W4296229046 created "2022-09-18" @default.
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- W4296229046 date "2023-01-01" @default.
- W4296229046 modified "2023-10-14" @default.
- W4296229046 title "Screening Hoffman-type metal organic frameworks for efficient C2H2/CO2 separation" @default.
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- W4296229046 cites W2339540635 @default.
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- W4296229046 cites W2468089184 @default.
- W4296229046 cites W2491085471 @default.
- W4296229046 cites W2621160901 @default.
- W4296229046 cites W2734916297 @default.
- W4296229046 cites W2753675244 @default.
- W4296229046 cites W2755801283 @default.
- W4296229046 cites W2790496371 @default.
- W4296229046 cites W2791754381 @default.
- W4296229046 cites W2803066542 @default.
- W4296229046 cites W2884735601 @default.
- W4296229046 cites W2884886715 @default.
- W4296229046 cites W2894633710 @default.
- W4296229046 cites W2898261008 @default.
- W4296229046 cites W2921482826 @default.
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- W4296229046 cites W2956554020 @default.
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- W4296229046 cites W3128008365 @default.
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- W4296229046 doi "https://doi.org/10.1016/j.cej.2022.139296" @default.
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