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

被引：1

作者：

Brazhnik, Daria, V ^{[1
,2
]}

Skobelev, Igor Y. ^{[2
]}

Kovalenko, Konstantin A. ^{[1
,3
]}

Kholdeeva, Oxana A. ^{[2
]}

机构：

[1] Novosibirsk State Univ, Novosibirsk, Russia

[2] Boreskov Inst Catalysis, Novosibirsk, Russia

[3] Nikolaev Inst Inorgan Chem, Novosibirsk, Russia

来源：

ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY | 2021年 / 27卷 / 06期

基金：

俄罗斯基础研究基金会;

关键词：

Metal– organic frameworks; Adsorption; Modelling; DFT; PROPYLENE-GLYCOL OXIDATION; MOLECULAR-ORBITAL METHODS; SELECTIVE OXIDATION; MIL-101; FAMILY; DENITROGENATION;

D O I：

10.1007/s10450-020-00287-4

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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 x 10(3)-3 x 10(3), 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.

引用

页码：953 / 962

页数：10

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