Pore closure in zeolitic imidazolate frameworks under mechanical pressure

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Pressure-induced oversaturation and phase transition in zeolitic imidazolate frameworks with remarkable mechanical stability.

Zeolitic imidazolate frameworks (ZIFs) 7 and 9 are excellent candidates for CO2 adsorption and storage. Here, high-pressure X-ray diffraction is used to further understand their potential in realistic industrial applications. ZIF-7 and ZIF-9 are shown be able to withstand high hydrostatic pressures whilst retaining their porosity and structural integrity through a new ferroelastic phase transit...

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Carbon dioxide sensitivity of zeolitic imidazolate frameworks.

Zeolitic imidazolate frameworks of zinc, cobalt, and cadmium, including the framework ZIF-8 commercially sold as Basolite Z1200, exhibit surprising sensitivity to carbon dioxide under mild conditions. The frameworks chemically react with CO2 in the presence of moisture or liquid water to form carbonates. This effect, which has been previously not reported in metal-organic framework chemistry, p...

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Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks.

We report three design principles for obtaining extra-large pore openings and cages in the metal-organic analogues of inorganic zeolites, zeolitic imidazolate frameworks (ZIFs). Accordingly, we prepared a series of 15 ZIFs, members of which have the largest pore opening (22.5 Å) and the largest cage size (45.8 Å) known for all porous tetrahedral structures. The key parameter allowing us to acce...

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Alcohol and water adsorption in zeolitic imidazolate frameworks.

Alcohol (methanol, ethanol, 1-propanol, 2-propanol and 1-butanol) and water vapor adsorption in zeolitic imidazolate frameworks (ZIF-8, ZIF-71 and ZIF-90) with similar crystal sizes was systematically studied. The feasibility of applying these ZIF materials to the recovery of bio-alcohols is evaluated by estimating the vapor-phase alcohol-water sorption selectivity.

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Impact of mechanical deformation on guest diffusion in zeolitic imidazolate frameworks.

The effect of the mechanical deformation of metal-organic frameworks on guest diffusion was investigated by employing molecular dynamics simulations. Two basic deformation modes, uniaxial tensile and shear deformation, were considered. The computed shear modulus of the zeolitic imidazolate framework-8 (ZIF-8) model system was much lower than the Young's modulus, which is in agreement with the e...

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ژورنال

عنوان ژورنال: Chemical Science

سال: 2018

ISSN: 2041-6520,2041-6539

DOI: 10.1039/c7sc04952h