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• W4384126601 abstract "In this work, Ni-4PyC was selected as the material for the separation of hydrogen isotopes H2/D2, and the mechanism of hydrogen isotope H2/D2 separation was investigated by molecular simulation. The results showed that the adsorption selectivity of Ni-4PyC for D2/H2 increased from 1.26 to 1.46 when the temperature was decreased from 77 K to 20 K, indicating that Ni-4PyC effected chemical affinity quantum sieving on D2/H2. Also, the diffusion rates of H2/D2 were different at different temperatures. At 20 K, the kinetic selectivity of D2/H2 reached 1.30, indicating that Ni-4PyC had a kinetic quantum sieving effect on D2/H2 at low temperatures. However, when the temperature was higher than 30 K, the diffusion rate of H2 was faster than that of D2, and when the temperature was 77 K, Ni-4PyC exhibited the kinetic sieving effect with a kinetic selectivity of 1.59 for H2/D2. Due to the chemical affinity quantum sieving and kinetic sieving effects of Ni-4PyC on H2/D2, the adsorption capacity of Ni-4PyC for D2 was better than that for H2 and the diffusion rate of H2 was faster than that of D2 at 77 K. Therefore, Ni-4PyC was expected to achieve the separation of H2/D2. In order to verify the accuracy of the theoretical calculation results, an Ni-4PyC@γ-Al2O3 composite material was synthesized by a liquid phase epitaxy method and was used to separate H2/D2 at 77 K in a 0.6 m × 2 mm chromatographic column. Under optimal separation conditions, the resolution R reached 1.84 with a separation time t = 7.47 min. In addition, Ni-4PyC@γ-Al2O3 showed excellent separation performances for different ratios of H2/D2 mixtures. The stationary phase was repeatable and reproducible." @default.
• W4384126601 created "2023-07-14" @default.
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• W4384126601 date "2023-01-01" @default.
• W4384126601 modified "2023-09-26" @default.
• W4384126601 title "Rapid diffusion of H₂ and strong adsorption of D₂ in Ni-4PyC realized the efficient separation of H₂/D₂ by gas chromatography" @default.
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• W4384126601 doi "https://doi.org/10.1039/d3dt01143g" @default.
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• W4384126601 hasPublicationYear "2023" @default.
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