Ni-4PyC中H2的快速扩散和D2的强吸附实现了气相色谱法H2/D2的高效分离,Dalton Transactions

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Ni-4PyC中H2的快速扩散和D2的强吸附实现了气相色谱法H2/D2的高效分离
Dalton Transactions ( IF 3.5 ) Pub Date : 2023-07-13 , DOI: 10.1039/d3dt01143g
Lingyun Kong ₁ , Enming Ping ₁ , Chunyan Ding ₁ , Lijuan Zhang ₁ , Yunshan Zhou ₁ , Nan Chen ₁

Affiliation

本工作选择Ni-4PyC作为氢同位素H ₂ /D ₂分离材料，通过分子模拟研究氢同位素H ₂ /D ₂分离机理。结果表明，当温度从77 K降低到20 K时， Ni-4PyC对D ₂ /H _{2的吸附选择性从1.26增加到1.46，表明Ni-4PyC对D}₂ /H ₂具有化学亲和量子筛分作用。。_{而且，H 2} /D ₂的扩散速率在不同温度下也不同。_{20 K时，D 2} /H ₂的动力学选择性达到1.30，表明Ni-4PyC在低温下对D ₂ /H _{2具有动力学量子筛分作用。}然而，当温度高于30 K时，H ₂的扩散速率快于D ₂的扩散速率，并且当温度为77 K时，Ni-4PyC表现出动力学筛分效应，对H ₂的动力学选择性为1.59。 /D ₂。由于Ni-4PyC对H ₂ /D _{2的化学亲和量子筛分和动力学筛分作用，Ni-4PyC对D}₂的吸附能力优于H _{2 ，且H}₂的扩散速率也较D 2 快。在77 K时D ₂的分离。因此，Ni-4PyC有望实现H ₂ /D ₂的分离。为了验证理论计算结果的准确性，采用液相外延方法合成了Ni-4PyC@γ-Al ₂ O ₃复合材料，并用于在0.6 m内于77 K下分离H ₂ /D _{2 。} × 2 mm 色谱柱。在最佳分离条件下，分离度R达到1.84，分离时间t =7.47 min。此外，Ni-4PyC@γ-Al ₂ O ₃对于不同比例的H ₂ /D ₂混合物表现出优异的分离性能。固定相是可重复且可重现的。

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Rapid diffusion of H2 and strong adsorption of D2 in Ni-4PyC realized the efficient separation of H2/D2 by gas chromatography

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.

更新日期：2023-07-13

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