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Double-walled Al-based MOF with large microporous specific surface area for trace benzene adsorption.

Laigang HuWenhao WuMin HuLing JiangDaohui LinJian WuKun Yang
Published in: Nature communications (2024)
Double-walled metal-organic frameworks (MOFs), synthesized using Zn and Co, are potential porous materials for trace benzene adsorption. Aluminum is with low-toxicity and abundance in nature, in comparison with Zn and Co. Therefore, a double-walled Al-based MOF, named as ZJU-520(Al), with large microporous specific surface area of 2235 m 2  g -1 , pore size distribution in the range of 9.26-12.99 Å and excellent chemical stability, was synthesized. ZJU-520(Al) is consisted by helical chain of AlO 6 clusters and 4,6-Di(4-carboxyphenyl)pyrimidine ligands. Trace benzene adsorption of ZJU-520(Al) is up to 5.98 mmol g -1 at 298 K and P/P 0  = 0.01. Adsorbed benzene molecules are trapped on two types of sites. One (site I) is near the AlO 6 clusters, another (site II) is near the N atom of ligands, using Grand Canonical Monte Carlo simulations. ZJU-520(Al) can effectively separate trace benzene from mixed vapor flow of benzene and cyclohexane, due to the adsorption affinity of benzene higher than that of cyclohexane. Therefore, ZJU-520(Al) is a potential adsorbent for trace benzene adsorption and benzene/cyclohexane separation.
Keyphrases
  • metal organic framework
  • heavy metals
  • aqueous solution
  • monte carlo
  • molecular dynamics
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  • wastewater treatment
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  • liquid chromatography
  • antibiotic resistance genes