Argon Adsorption on Cu3(Benzene-1,3,5-tricarboxylate)2(H2O)3 Metal−Organic Framework

Krungleviciute, Vaiva; Lask, K.; Heroux, Luke; Migone, Aldo; Lee, J. Y.; Li, Jing; Skoulidas, Anastasios I.

doi:10.1021/la061871a

Cited by 80 publications

(82 citation statements)

References 43 publications

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“…All the XRD patterns exhibit two main characteristic peaks at approximately 8.51°and 9.12°for the structures of MIL-101. The good agreement of the XRD results with the published patterns in the literature confirms the formation of MIL-101 crystals (Krungleviciute et al 2007). Figure 4 presents the TGA profiles of the MIL-101 samples.…”

Section: Textural Propertysupporting

confidence: 80%

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Experimental Measurement of the Adsorption Equilibrium and Kinetics of CO₂ in Chromium-Based Metal-Organic Framework MIL-101

Zhang

Wang

et al. 2013

Adsorption Science & Technology

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A series of MIL-101 samples with hierarchical pore structures and different surface areas (2000-4800 m 2 /g) was synthesized by hydrothermal method and characterized by X-ray diffraction, thermogravimetric analysis and 77-K N 2 adsorption isotherm. The adsorption equilibrium and kinetics of CO 2 were studied at 288, 298 and 308 K within a pressure range of 0-5 MPa by a volumetric method. The adsorption heat, mass-transfer constant, diffusion coefficient and diffusion activation energy were also investigated in this work. The results showed that the chromium-based MIL-101 adsorbent exhibited an impressive selectivity for CO 2 over N 2 , and had an adsorption capacity of 20 mmol/g of CO 2 at 298 K and 5.0 MPa, which was much better than that of other conventional adsorbents (e.g. SBA-15, MCM-41, SG-A). The adsorption heat of CO 2 on MIL-101 was in the range of 21-45 kJ/mol, which decreased with the loading of CO 2 . The mass-transfer constants and diffusion coefficients increased with the temperature and decreased with the pressure, whereas the diffusion activation energy decreased with the increased pressure, indicating that adsorption of CO 2 at high pressures was easier. In addition, a linear correlation was found between CO 2 uptake and surface areas at low pressure, which showed that the adsorption capacity of CO 2 could be controlled by adjusting the surface area of the prepared adsorbents in this condition.

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Section: Textural Propertysupporting

confidence: 80%

“…However, most reports about MIL-101 focus on its synthesis, characterization and H 2 /CH 4 storage, and the kinetic study of CO 2 adsorption on MIL-101 was rarely presented (Li and Yang 2008). It is well known that the adsorption equilibrium and kinetics are important parameters to evaluate the performance of an adsorbent.…”

Section: Introductionmentioning

confidence: 99%

Experimental Measurement of the Adsorption Equilibrium and Kinetics of CO₂ in Chromium-Based Metal-Organic Framework MIL-101

Zhang

Wang

et al. 2013

Adsorption Science & Technology

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“…The activation energy in pure argon, 1.17 ± 0.20 eV, is very similar to the activation energy in ultrahigh vacuum, previously determined by infrared spectroscopy, 1.18 ± 0.12 eV. This finding was expected since the amount of argon molecules at room temperature and atmospheric pressure is extrapolated to be very small, meaning the pores are virtually empty [39]. Please note that the azobenzene side groups in Cu 2 (BDC) 2 (AzoBiPyB) are not fully isolated and may interact with each other.…”

Section: Resultssupporting

confidence: 85%

Thermal cis-to-trans Isomerization of Azobenzene Side Groups in Metal-Organic Frameworks investigated by Localized Surface Plasmon Resonance Spectroscopy

Zhou

Grosjean

Bräse

et al. 2018

Zeitschrift Für Physikalische Chemie

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Abstract:The energy barrier for cis-to-trans isomerization is among the key parameters for photoswitchable molecules such as azobenzene. Recently, we introduced a well-defined model system based on thin films of crystalline, nanoporous metal-organic frameworks, MOFs. The system enables the precise investigation of the thermal cis-to-trans relaxation of virtually isolated azobenzene pendant groups by means of infrared spectroscopy in vacuum. Here, this approach is extended by using localized surface plasmon resonance spectroscopy. This simple and relatively inexpensive setup enables the investigation of the thermal cis-to-trans isomerization in different environments, here in argon gas or in liquid butanediol. The energy barrier for the cis-to-trans-relaxation in argon, 1.17 ± 0.20 eV, is identical to the barrier in vacuum, while the energy barrier in liquid butanediol is slightly larger, 1.26 ± 0.15 eV.

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“…Atomistic methods, such as molecular dynamics and Monte Carlo techniques, are particularly attractive for this purpose, due to their ability to treat a wide variety of related chemical systems coupled with relatively high computational efficiency for large-scale systems. 11 The prototypical MOF compound in computational studies has been IRMOF-1 (also known as MOF-5), which consists of Zn 4 16,25,26 These previous investigations employed standard force fields to model the interaction between the MOF and molecules within its pores, such as the universal force field, 27 DREIDING force field, 28 and OPLS force field, 29 or by custom optimization of Lennard-Jones potentials. 23 In all cases, the atoms within the MOF were not allowed to move during the simulation.…”

Section: Introductionmentioning

confidence: 99%

Stress-Induced Chemical Detection Using Flexible Metal−Organic Frameworks

et al. 2008

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In this work we demonstrate the concept of stress-induced chemical detection using metalorganic frameworks (MOFs) by integrating a thin film of the MOF HKUST-1 with a microcantilever surface. The results show that the energy of molecular adsorption, which causes slight distortions in the MOF crystal structure, can be efficiently converted to mechanical energy to create a highly responsive, reversible, and selective sensor. This sensor responds to water, methanol, and ethanol vapors, but yields no response to either N 2 or O 2 . The magnitude of the signal, which is measured by a built-in piezoresistor, is correlated with the concentration and can be fitted to a Langmuir isotherm. Furthermore, we show that the hydration state of the MOF layer can be used to impart selectivity to CO 2 . We also report the first use of surface-enhanced Raman spectroscopy to characterize the structure of a MOF film. We conclude that the synthetic versatility of these nanoporous materials holds great promise for creating recognition chemistries to enable selective detection of a wide range of analytes. A force field model is described that successfully predicts changes in MOF properties and the uptake of gases. This model is used to predict adsorption isotherms for a number of representative compounds, including explosives, nerve agents, volatile organic compounds, and polyaromatic hydrocarbons. The results show that, as a result of relatively large heats of adsorption (> 20 kcal mol -1 ) in most cases, we expect an onset of adsorption by MOF as low as 10 -6 kPa, suggesting the potential to detect compounds such as RDX at levels as low as 10 ppb at atmospheric pressure.

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Argon Adsorption on Cu₃(Benzene-1,3,5-tricarboxylate)₂(H₂O)₃ Metal−Organic Framework

Cited by 80 publications

References 43 publications

Experimental Measurement of the Adsorption Equilibrium and Kinetics of CO₂ in Chromium-Based Metal-Organic Framework MIL-101

Experimental Measurement of the Adsorption Equilibrium and Kinetics of CO₂ in Chromium-Based Metal-Organic Framework MIL-101

Thermal cis-to-trans Isomerization of Azobenzene Side Groups in Metal-Organic Frameworks investigated by Localized Surface Plasmon Resonance Spectroscopy

Stress-Induced Chemical Detection Using Flexible Metal−Organic Frameworks

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Argon Adsorption on Cu3(Benzene-1,3,5-tricarboxylate)2(H2O)3 Metal−Organic Framework

Cited by 80 publications

References 43 publications

Experimental Measurement of the Adsorption Equilibrium and Kinetics of CO2 in Chromium-Based Metal-Organic Framework MIL-101

Experimental Measurement of the Adsorption Equilibrium and Kinetics of CO2 in Chromium-Based Metal-Organic Framework MIL-101

Thermal cis-to-trans Isomerization of Azobenzene Side Groups in Metal-Organic Frameworks investigated by Localized Surface Plasmon Resonance Spectroscopy

Stress-Induced Chemical Detection Using Flexible Metal−Organic Frameworks

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Product

Resources

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Argon Adsorption on Cu₃(Benzene-1,3,5-tricarboxylate)₂(H₂O)₃ Metal−Organic Framework

Experimental Measurement of the Adsorption Equilibrium and Kinetics of CO₂ in Chromium-Based Metal-Organic Framework MIL-101

Experimental Measurement of the Adsorption Equilibrium and Kinetics of CO₂ in Chromium-Based Metal-Organic Framework MIL-101