Research output: Contribution to journal › Article › peer-review
Quantitative analysis of liquid-phase adsorption over chromium-containing metal–organic frameworks of MTN topology. / Brazhnik, Daria V.; Skobelev, Igor Y.; Kovalenko, Konstantin A. et al.
In: Adsorption, Vol. 27, No. 6, 08.2021, p. 953-962.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Quantitative analysis of liquid-phase adsorption over chromium-containing metal–organic frameworks of MTN topology
AU - Brazhnik, Daria V.
AU - Skobelev, Igor Y.
AU - Kovalenko, Konstantin A.
AU - Kholdeeva, Oxana A.
N1 - Funding Information: This work was supported by RFBR Grants 18-33-00783 and 18-29-04022. Dr. Sergey A. Sapchenko is acknowledged for a fruitful discussion. Funding Information: Russian Foundation for Basic Research (RFBR) Grants 18-33-00783 and 18-29-04022. Publisher Copyright: © 2021, The Author(s), under exclusive licence to Springer Science+Business Media, LLC part of Springer Nature. Copyright: Copyright 2020 Elsevier B.V., All rights reserved.
PY - 2021/8
Y1 - 2021/8
N2 - 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.
AB - 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.
KW - Adsorption
KW - DFT
KW - Metal–organic frameworks
KW - Modelling
KW - SELECTIVE OXIDATION
KW - DENITROGENATION
KW - MOLECULAR-ORBITAL METHODS
KW - Metal–
KW - organic frameworks
KW - PROPYLENE-GLYCOL OXIDATION
KW - MIL-101 FAMILY
UR - http://www.scopus.com/inward/record.url?scp=85098892651&partnerID=8YFLogxK
UR - https://www.elibrary.ru/item.asp?id=45029119
U2 - 10.1007/s10450-020-00287-4
DO - 10.1007/s10450-020-00287-4
M3 - Article
AN - SCOPUS:85098892651
VL - 27
SP - 953
EP - 962
JO - Adsorption
JF - Adsorption
SN - 0929-5607
IS - 6
ER -
ID: 27374321