Mechanical Control of the Kinetic Propylene/Propane Separation by Zeolitic Imidazolate Framework‐8

Zheng, Bin; Maurin, Guillaume

doi:10.1002/ange.201906245

Cited by 17 publications

(3 citation statements)

References 35 publications

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“…Han et al considered point defects in ZIF-8 and found that linker vacancies and dangling linkers can increase hopping rates, so that the effect of these defects must be considered [234]. A recent study by Zheng and Maurin [235] on propane/propylene kinetic separations in ZIF-8 used high temperatures to simulate diffusion coefficients and extrapolated down to standard conditions using an Arrhenius plot; these results also compared well to the measurements by Chmelik et al [233] Zheng and Maurin showed that mechanical pressure exerted on ZIF-8 could improve propane/propylene separations by reducing the window size and significantly decreasing propylene diffusion relative to propane.…”

Section: Flexible Microporous Metal-organic Frameworkmentioning

confidence: 99%

Connecting theory and simulation with experiment for the study of diffusion in nanoporous solids

et al. 2021

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Nanoporous solids are ubiquitous in chemical, energy, and environmental processes, where controlled transport of molecules through the pores plays a crucial role. They are used as sorbents, chromatographic or membrane materials for separations, and as catalysts and catalyst supports. Defined as materials where confinement effects lead to substantial deviations from bulk diffusion, nanoporous materials include crystalline microporous zeotypes and metal–organic frameworks (MOFs), and a number of semi-crystalline and amorphous mesoporous solids, as well as hierarchically structured materials, containing both nanopores and wider meso- or macropores to facilitate transport over macroscopic distances. The ranges of pore sizes, shapes, and topologies spanned by these materials represent a considerable challenge for predicting molecular diffusivities, but fundamental understanding also provides an opportunity to guide the design of new nanoporous materials to increase the performance of transport limited processes. Remarkable progress in synthesis increasingly allows these designs to be put into practice. Molecular simulation techniques have been used in conjunction with experimental measurements to examine in detail the fundamental diffusion processes within nanoporous solids, to provide insight into the free energy landscape navigated by adsorbates, and to better understand nano-confinement effects. Pore network models, discrete particle models and synthesis-mimicking atomistic models allow to tackle diffusion in mesoporous and hierarchically structured porous materials, where multiscale approaches benefit from ever cheaper parallel computing and higher resolution imaging. Here, we discuss synergistic combinations of simulation and experiment to showcase theoretical progress and computational techniques that have been successful in predicting guest diffusion and providing insights. We also outline where new fundamental developments and experimental techniques are needed to enable more accurate predictions for complex systems.

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Section: Flexible Microporous Metal-organic Frameworkmentioning

confidence: 99%

Connecting theory and simulation with experiment for the study of diffusion in nanoporous solids

et al. 2021

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“…The high integrity of the monolithic MOF film endows the nanoarchitecture with high mechanical strength, which was critical for their applications. [40][41][42][43][44][45][46][47][48][49] The force−displacement curves from nanoindentation test revealed that the hardness of the sample increased along with the pulse energy density impact on MOF layer (Figure 4B), reflected by a larger slope of the loading force curve which was associated to the higher relative hardness. The calculated hardness and Young's modulus of the structure all increased gradually with the laser energy density (Figure S12, Supporting Information), implying that more dense structure was formed under higher pressure.…”

Section: Resultsmentioning

confidence: 99%

3D MOF Nanoarchitecture Membrane via Ultrafast Laser Nanoforging

Liu

Xiang

et al. 2021

Small Methods

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Metal‐organic framework (MOF) crystals are useful in a vast area of applications because of their unique chemical and physical properties. Manufacturing of an integrated MOF membrane with 3D nanoarchitectures on the surface is especially important for their applications. However, as MOF crystals usually exist as powdery crystals, fabrication of their large area, monolithic, and high‐resolution patterns is challenging. Here, it is found that isolated MOF nanocrystals could be directly converted to a monolithic MOF film with designed 3D nanoarchitectures/patterns via an ultrafast laser induced nanoforging without binders. During the nanosecond laser shock, the voids among MOF nanocrystals are eliminated due to the surface amorphization effect, which allows the fusing of the MOF nanocrystals on the grain boundaries, leading to the formation of a dense film while preserving the nature of the pristine MOF. The high strain rate by laser enhances formability of MOFs and overcomes their brittleness to generate arbitrary 3D nanoarchitectures with feature sizes down to 100 nm and high productivity up to 80 cm2 min–1. These 3D MOF nanoarchitectures also exhibit boosted mechanical strength up to 100% compared with their powdery particles. This method is facile and low‐cost and could potentially be used in various fields, such as devices, separation, and biochemical applications.

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“…Nowadays, separation based on physical adsorption has always been regarded as a promising gas separation technology owing to its advantages including simple operation, economic, and energy-efficient. − Nevertheless, the practicality of the adsorptive separation and its efficiency is strongly based on the pore aperture and pore chemistry of the adsorbent employed. , Metal–organic frameworks (MOFs), a series of emerging porous materials, are constructed by metal node and multifunctional organic linkers. − Because of their stable framework, adjustable pore size, and high surface area, MOFs have been investigated extensively in the gas separation field over the past several decades. Hitherto, considerable achievements were reported previously on the aspects of separating C 2 H 2 /C 2 H 4 , − C 2 H 4 /C 2 H 6 , − C 3 H 6 /C 3 H 8 , ,− CO 2 /C 2 H 2 , − CO 2 /CH 4 /N 2 , − and Xe/Kr. − …”

Section: Introductionmentioning

confidence: 99%

Gallate-Based Metal–Organic Frameworks for Highly Efficient Removal of Trace Propyne from Propylene

Zhu

Guo

et al. 2020

Ind. Eng. Chem. Res.

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Purification of propylene from the propyne (C3H4)/propylene (C3H6) mixture is a significant and challenging process in the chemical industry. Nowadays, the removal of propyne from propylene mainly relies on the energy-intensive hydrogenation catalyzed by noble metals. We herein report three gallate-based metal–organic frameworks, namely, M(II)-gallate (M = Ni, Mg, Co), which provide excellent performance in terms of removing propyne from the propyne/propylene mixture (1:99, v/v). The C3H4 uptake capacities of Mg-, Co-, and Ni-gallate can reach 3.75, 3.21, and 2.65 mmol/g, while the C3H6 uptake capacities are only 1.50, 1.49, and 0.9 mmol/g respectively, at ambient conditions. Particularly, the productivities of 99.9999% pure C3H6 in Co-gallate and Mg-gallate were 1580 and 1420 mL/g, respectively, outperforming the state-of-the-art material USTA-200 (1400 mL/g). The adsorption mechanism was further investigated by using the first-principle dispersion-corrected density functional theory calculations, revealing that the excellent C3H4/C3H6 separation ability of M-gallate originates from stronger supramolecular interactions and C–H···O interactions between the hydrogen atoms from C3H4 and oxygen atoms from M-gallate frameworks. Besides, the M-gallate materials also show excellent regeneration ability. Thus, this work demonstrates that the family of M-gallate materials shows industrially promising porous materials for propylene purification by the adsorption process.

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Mechanical Control of the Kinetic Propylene/Propane Separation by Zeolitic Imidazolate Framework‐8

Cited by 17 publications

References 35 publications

Connecting theory and simulation with experiment for the study of diffusion in nanoporous solids

Connecting theory and simulation with experiment for the study of diffusion in nanoporous solids

3D MOF Nanoarchitecture Membrane via Ultrafast Laser Nanoforging

Gallate-Based Metal–Organic Frameworks for Highly Efficient Removal of Trace Propyne from Propylene

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