Impact of alkali‐metal impregnation on MIL‐101 (Cr) metal‐organic frameworks for CH4 and CO2 adsorption studies

In this article, an assessment of the impact of alkali-metal-ion impregnation on metal-organic frameworks (MOF) is presented employing CH4 and CO2 adsorption isotherm data. At first, the parent MOF, MIL-101(Cr), is prepared by a fluorine-free hydrothermal reaction procedure and impregnated with Li,...

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Main Authors: Kayal, Sibnath, Chakraborty, Anutosh
Other Authors: School of Mechanical and Aerospace Engineering
Format: Article
Language:English
Published: 2020
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Online Access:https://hdl.handle.net/10356/144153
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Institution: Nanyang Technological University
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spelling sg-ntu-dr.10356-1441532020-10-19T00:57:18Z Impact of alkali‐metal impregnation on MIL‐101 (Cr) metal‐organic frameworks for CH4 and CO2 adsorption studies Kayal, Sibnath Chakraborty, Anutosh School of Mechanical and Aerospace Engineering Engineering::Mechanical engineering Adsorption Isotherms Dubinin-Astakhov Equation In this article, an assessment of the impact of alkali-metal-ion impregnation on metal-organic frameworks (MOF) is presented employing CH4 and CO2 adsorption isotherm data. At first, the parent MOF, MIL-101(Cr), is prepared by a fluorine-free hydrothermal reaction procedure and impregnated with Li, Na, and K alkali cations. These synthesised MOFs are characterized by N2 adsorption/desorption isotherm analysis, X-ray diffraction (XRD) measurement and scanning electron microscopy (SEM). The amount of CH4 and CO2 adsorption uptakes onto parent and alkali ions impregnated MIL-101(Cr) are conducted for wide ranges of pressures and temperatures. For understanding the effects of MOF synthesis process and alkali cations impregnation, CH4 /CO2 uptakes on perfect crystalline MIL-101(Cr) MOF are also calculated by Grand Canonical Monte Carlo (GCMC) simulation and the results are compared with experimental isotherm data of synthesised parent and alkali ions impregnated MIL-101(Cr) MOFs. It is found that the limiting uptakes and the isosteric heats are mainly influenced by the modified adsorbent structures due to alkali ions impregnation and the polarity of adsorbate molecules. Employing Dubinin-Astakhov (DA) equation, the energy distribution of synthesised parent and alkali doped MIL-101 (Cr) MOFs are also presented to identify the alkali cation effects and the surface heterogeneity. Ministry of Education (MOE) 2020-10-19T00:57:18Z 2020-10-19T00:57:18Z 2018 Journal Article Kayal, S., & Chakraborty, A. (2018). Impact of alkali‐metal impregnation on MIL‐101 (Cr) metal‐organic frameworks for CH4 and CO2 adsorption studies. ChemPhysChem, 19(22), 3158-3165. doi:10.1002/cphc.201800526. 1439-7641 https://hdl.handle.net/10356/144153 10.1002/cphc.201800526 30239092 22 19 3158 3165 en ChemPhysChem © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim. All rights reserved.
institution Nanyang Technological University
building NTU Library
continent Asia
country Singapore
Singapore
content_provider NTU Library
collection DR-NTU
language English
topic Engineering::Mechanical engineering
Adsorption Isotherms
Dubinin-Astakhov Equation
spellingShingle Engineering::Mechanical engineering
Adsorption Isotherms
Dubinin-Astakhov Equation
Kayal, Sibnath
Chakraborty, Anutosh
Impact of alkali‐metal impregnation on MIL‐101 (Cr) metal‐organic frameworks for CH4 and CO2 adsorption studies
description In this article, an assessment of the impact of alkali-metal-ion impregnation on metal-organic frameworks (MOF) is presented employing CH4 and CO2 adsorption isotherm data. At first, the parent MOF, MIL-101(Cr), is prepared by a fluorine-free hydrothermal reaction procedure and impregnated with Li, Na, and K alkali cations. These synthesised MOFs are characterized by N2 adsorption/desorption isotherm analysis, X-ray diffraction (XRD) measurement and scanning electron microscopy (SEM). The amount of CH4 and CO2 adsorption uptakes onto parent and alkali ions impregnated MIL-101(Cr) are conducted for wide ranges of pressures and temperatures. For understanding the effects of MOF synthesis process and alkali cations impregnation, CH4 /CO2 uptakes on perfect crystalline MIL-101(Cr) MOF are also calculated by Grand Canonical Monte Carlo (GCMC) simulation and the results are compared with experimental isotherm data of synthesised parent and alkali ions impregnated MIL-101(Cr) MOFs. It is found that the limiting uptakes and the isosteric heats are mainly influenced by the modified adsorbent structures due to alkali ions impregnation and the polarity of adsorbate molecules. Employing Dubinin-Astakhov (DA) equation, the energy distribution of synthesised parent and alkali doped MIL-101 (Cr) MOFs are also presented to identify the alkali cation effects and the surface heterogeneity.
author2 School of Mechanical and Aerospace Engineering
author_facet School of Mechanical and Aerospace Engineering
Kayal, Sibnath
Chakraborty, Anutosh
format Article
author Kayal, Sibnath
Chakraborty, Anutosh
author_sort Kayal, Sibnath
title Impact of alkali‐metal impregnation on MIL‐101 (Cr) metal‐organic frameworks for CH4 and CO2 adsorption studies
title_short Impact of alkali‐metal impregnation on MIL‐101 (Cr) metal‐organic frameworks for CH4 and CO2 adsorption studies
title_full Impact of alkali‐metal impregnation on MIL‐101 (Cr) metal‐organic frameworks for CH4 and CO2 adsorption studies
title_fullStr Impact of alkali‐metal impregnation on MIL‐101 (Cr) metal‐organic frameworks for CH4 and CO2 adsorption studies
title_full_unstemmed Impact of alkali‐metal impregnation on MIL‐101 (Cr) metal‐organic frameworks for CH4 and CO2 adsorption studies
title_sort impact of alkali‐metal impregnation on mil‐101 (cr) metal‐organic frameworks for ch4 and co2 adsorption studies
publishDate 2020
url https://hdl.handle.net/10356/144153
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