Quantitative analysis of liquid-phase adsorption over chromium-containing metal–organic frameworks of MTN topology

Daria V. Brazhnik, Igor Y. Skobelev, Konstantin A. Kovalenko, Oxana A. Kholdeeva

Research output: Contribution to journalArticlepeer-review

Abstract

Excess adsorption of cyclohexanone, cyclohexanol and tert-butanol over metal–organic frameworks Cr-MIL-100 and structurally close Cr-MIL-101 from n-hexane was measured at room temperature. Apparent adsorption equilibrium constants were calculated under the assumption of monolayer adsorption. Two types of adsorption centers turned out to be enough to build a model of experimental isotherms for cyclohexanone, cyclohexanol, and tert-butanol. The first type of centers is characterized by a high value of adsorption equilibrium constant, 1 × 103–3 × 103, and the fraction of such centers is ca. 0.2 for cyclohexanone and tert-butanol and ca. 0.4 for cyclohexanol. The second type of centers possesses a relatively low affinity to guest molecules (the adsorption equilibrium constant varies from 1.8 to 9) and occupies the rest of the surface of the adsorbent The centers with a strong affinity to oxygen-containing guests are associated with chromium atoms within MIL framework.

Original languageEnglish
Pages (from-to)953-962
Number of pages10
JournalAdsorption
Volume27
Issue number6
Early online date4 Jan 2021
DOIs
Publication statusPublished - Aug 2021

Keywords

  • Adsorption
  • DFT
  • Metal–organic frameworks
  • Modelling
  • SELECTIVE OXIDATION
  • DENITROGENATION
  • MOLECULAR-ORBITAL METHODS
  • Metal&#8211
  • organic frameworks
  • PROPYLENE-GLYCOL OXIDATION
  • MIL-101 FAMILY

OECD FOS+WOS

  • 1.04 CHEMICAL SCIENCES
  • 1.04.EI CHEMISTRY, PHYSICAL
  • 2.04 CHEMICAL ENGINEERING
  • 2.04.II ENGINEERING, CHEMICAL

State classification of scientific and technological information

  • 31 CHEMISTRY

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