Systematic study of the impact of MOF densification into tablets on textural and mechanical properties

Dhainaut, Jérémy; Avci-Camur, Ceren; Troyano, Javier; Legrand, Alexandre; Canivet, J.; Imaz, Inhar; Maspoch, Daniel; Reinsch, Helge; Farrusseng, David

doi:10.1039/c7ce00338b

Cited by 65 publications

(86 citation statements)

References 46 publications

(38 reference statements)

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“…This suggests that the water present within the pores might act as a "cushion" and help to evenly dissipate the applied pressure, preventing the collapse of the framework during compression. Similar behaviour was previously reported for MOF-5 [18] and HKUST-1 [19,20]. The durability of the pellets prepared using the…”

Section: Resultssupporting

confidence: 86%

An Optimised Compaction Process for Zr-Fumarate (MOF-801)

et al. 2019

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We reported a systematic approach aimed at identifying the optimal conditions for compaction of MOF-801, a small-pore zirconium-based metal–organic framework (MOF) containing fumaric acid as the linker, that can be easily synthesised in aqueous medium. Pellets of the MOF were prepared by compressing the powder either in neat form or dry-mixed with binders (sucrose, polyvinylalcohol, polyvinylbutyral) under a range of pressures and for different times. The mechanical stability and durability of the pellets was tested by simple drop tests and shake tests, finding that addition of 5% of polyvinylbutyral was enough to produce highly resilient pellets that did not release significant amounts of powder upon cracking. The crystallinity, textural properties and CO2 adsorption performance of the MOF were successively assessed, observing the least change of the original properties in pellets compressed at 146 MPa for 15 s. Compaction at higher pressures impacted the performance more heavily, with no evident benefit from the mechanical point of view, whereas compression time did not have a relevant effect. The cyclic adsorption behaviour was tested, showing that the pellets retained as much as 90% of the CO2 working capacity, while displaying unaffected sorption kinetics, and 74% of the H2O working capacity.

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Section: Resultssupporting

confidence: 86%

An Optimised Compaction Process for Zr-Fumarate (MOF-801)

et al. 2019

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“…We can rule out different packing or grain size, since all samples were sieved within a narrow fraction size range of 425-600 µm. The difference in breakthrough profiles may possibly arise from different grain density (i.e macroporosity) after tableting, which is MOF-dependent [35]. We can assume that very densely-packed crystallites may penalise the transport rate in the grains.…”

Section: Experimental Set-upmentioning

confidence: 99%

Unravelling ammonia adsorption mechanisms of adsorbents in humid conditions

Khabzina

Farrusseng

2018

Microporous and Mesoporous Materials

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Air purification of ammonia, a toxic industrial chemicals (TICs), by adsorption process on Metal-Organic Framework solids is attracting high scientific and commercial interests. While active carbon based adsorbents required high level of relative humidity for achieving proper performance ammonia capture, zeolite performance degrades in presence of humidity. For MOFs, the presence of humidity has been shown to be MOF dependent, either beneficial or detrimental. It appears that the role of humidity is of key importance and that different ammonia adsorption mechanisms co-exist depending on the material's physico-chemical features. Based on a screening of various microporous adsorbents including carbons, zeolites and MOFs, we show that in the presence of humidity, the ammonia uptake

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“…As a result, the densification procedure may degrade their physical and chemical properties. 4 − 7 Hence, the synthesis of MOFs with elevated mechanical stability becomes increasingly important for their further industrialization.…”

Section: Introductionmentioning

confidence: 99%

Reliably Modeling the Mechanical Stability of Rigid and Flexible Metal–Organic Frameworks

2017

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ConspectusOver the past two decades, metal–organic frameworks (MOFs) have matured from interesting academic peculiarities toward a continuously expanding class of hybrid, nanoporous materials tuned for targeted technological applications such as gas storage and heterogeneous catalysis. These oft-times crystalline materials, composed of inorganic moieties interconnected by organic ligands, can be endowed with desired structural and chemical features by judiciously functionalizing or substituting these building blocks. As a result of this reticular synthesis, MOF research is situated at the intriguing intersection between chemistry and physics, and the building block approach could pave the way toward the construction of an almost infinite number of possible crystalline structures, provided that they exhibit stability under the desired operational conditions. However, this enormous potential is largely untapped to date, as MOFs have not yet found a major breakthrough in technological applications. One of the remaining challenges for this scale-up is the densification of MOF powders, which is generally achieved by subjecting the material to a pressurization step. However, application of an external pressure may substantially alter the chemical and physical properties of the material. A reliable theoretical guidance that can presynthetically identify the most stable materials could help overcome this technological challenge.In this Account, we describe the recent research the progress on computational characterization of the mechanical stability of MOFs. So far, three complementary approaches have been proposed, focusing on different aspects of mechanical stability: (i) the Born stability criteria, (ii) the anisotropy in mechanical moduli such as the Young and shear moduli, and (iii) the pressure-versus-volume equations of state. As these three methods are grounded in distinct computational approaches, it is expected that their accuracy and efficiency will vary. To date, however, it is unclear which set of properties are suited and reliable for a given application, as a comprehensive comparison for a broad variety of MOFs is absent, impeding the widespread use of these theoretical frameworks.Herein, we fill this gap by critically assessing the performance of the three computational models on a broad set of MOFs that are representative for current applications. These materials encompass the mechanically rigid UiO-66(Zr) and MOF-5(Zn) as well as the flexible MIL-47(V) and MIL-53(Al), which undergo pressure-induced phase transitions. It is observed that the Born stability criteria and pressure-versus-volume equations of state give complementary insight into the macroscopic and microscopic origins of instability, respectively. However, interpretation of the Born stability criteria becomes increasingly difficult when less symmetric materials are considered. Moreover, pressure fluctuations during the simulations hamper their accuracy for flexible materials. In contrast, the pressure-versus-volume equations of state are det...

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Systematic study of the impact of MOF densification into tablets on textural and mechanical properties

Abstract: Densification process of MOF powders (HKUST-1, UiO-66, UiO-66-NH2, and UiO-67) into mechanically resistant pellets with maintained microporosity and enhanced volumetric uptake.

Cited by 65 publications

References 46 publications

An Optimised Compaction Process for Zr-Fumarate (MOF-801)

An Optimised Compaction Process for Zr-Fumarate (MOF-801)

Unravelling ammonia adsorption mechanisms of adsorbents in humid conditions

Reliably Modeling the Mechanical Stability of Rigid and Flexible Metal–Organic Frameworks

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