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Impact of the functionalization onto structure transformation and gas adsorption of MIL-68(In).

ABSTRACT: A series of functionalization -NH2, -Br and -NO2 has been performed on MIL-68(In) material in order to improve the porosity features of the pristine material. The functional groups grafted onto the ligand and the molar ratios of the ingredient indicate a profound influence on product formation. With the incremental amount of metal source, product structures undergo the transformation from MIL-68 to MIL-53 or QMOF-2. The situation is different depending on the variation of the ligands. Gas (N2, Ar, H2 and CO2) adsorption-desorption isotherms were systematically investigated to explore the impact of the functionalization on the porous prototypical framework. Comparison of adsorption behaviour of N2 and Ar indicates that the polar molecule exhibits striking interaction to N2 molecule, which has a considerable quadrupole moment. Therefore, as a probe molecule, Ar with no quadrupole moment is more suitable to characterize the surface area with the polar groups. Meanwhile, Ar adsorption result confirms that the negative influence on the surface area stems from the size of the substituting groups. The uptake of H2 and CO2 indicates that the introduction of appropriate polar organic groups can effectively enhance the adsorption enthalpy of relative gases and improve the gas adsorption capacity apparently at low pressure. The introduction of -NO2 is in favour of improving the H2 adsorption capacity, while the grafted -NH2 groups can most effectively enhance the CO2 adsorption capacity.

SUBMITTER: Wu L

PROVIDER: S-EPMC6304125 | biostudies-literature | 2018 Dec

REPOSITORIES: biostudies-literature

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Impact of the functionalization onto structure transformation and gas adsorption of MIL-68(In).

Wu Lei L Wang Weifeng W Liu Rong R Wu Gang G Chen Huaxin H

Royal Society open science 20181212 12

A series of functionalization -NH<sub>2</sub>, -Br and -NO<sub>2</sub> has been performed on MIL-68(In) material in order to improve the porosity features of the pristine material. The functional groups grafted onto the ligand and the molar ratios of the ingredient indicate a profound influence on product formation. With the incremental amount of metal source, product structures undergo the transformation from MIL-68 to MIL-53 or QMOF-2. The situation is different depending on the variation of t ...[more]

PMID: 30662743

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Project description:The adsorption of thallium (Tl) onto phyllosilicate minerals plays a critical role in the retention of Tl in soils and sediments and the potential transfer of Tl into plants and groundwater. Especially micaceous minerals are thought to strongly bind monovalent Tl(I), in analogy to their strong binding of Cs. To advance the understanding of Tl(I) adsorption onto phyllosilicate minerals, we studied the adsorption of Tl(I) onto Na- and K-saturated illite and Na-saturated smectite, two muscovites, two vermiculites and a naturally Tl-enriched soil clay mineral fraction. Macroscopic adsorption isotherms were combined with the characterization of the adsorbed Tl by X-ray absorption spectroscopy (XAS). In combination, the results suggest that the adsorption of Tl(I) onto phyllosilicate minerals can be interpreted in terms of three major uptake paths: (i) highest-affinity inner-sphere adsorption of dehydrated Tl+ on a very low number of adsorption sites at the wedge of frayed particle edges of illite and around collapsed zones in vermiculite interlayers through complexation between two siloxane cavities, (ii) intermediate-affinity inner-sphere adsorption of partially dehydrated Tl+ on the planar surfaces of illite and muscovite through complexation onto siloxane cavities, (iii) low-affinity adsorption of hydrated Tl+, especially in the hydrated interlayers of smectite and expanded vermiculite. At the frayed edges of illite particles and in the vermiculite interlayer, Tl uptake can lead to the formation of new wedge sites that enable further adsorption of dehydrated Tl+. On the soil clay fraction, a shift in Tl(I) uptake from frayed edge sites (on illite) to planar sites (on illite and muscovite) was observed with increasing Tl(I) loading. The results from this study show that the adsorption of Tl(I) onto phyllosilicate minerals follows the same trends as reported for Cs and Rb and thus suggests that concepts to describe the retention of (radio)cesium by different types of phyllosilicate minerals in soils, sediments and rocks are also applicable to Tl(I).

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Impact of the functionalization onto structure transformation and gas adsorption of MIL-68(In).

Publications

Impact of the functionalization onto structure transformation and gas adsorption of MIL-68(In).

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