Browse
Submit Data
Databases
API
Help

Dataset Information

31 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Metal-organic framework with optimally selective xenon adsorption and separation.

ABSTRACT: Nuclear energy is among the most viable alternatives to our current fossil fuel-based energy economy. The mass deployment of nuclear energy as a low-emissions source requires the reprocessing of used nuclear fuel to recover fissile materials and mitigate radioactive waste. A major concern with reprocessing used nuclear fuel is the release of volatile radionuclides such as xenon and krypton that evolve into reprocessing facility off-gas in parts per million concentrations. The existing technology to remove these radioactive noble gases is a costly cryogenic distillation; alternatively, porous materials such as metal-organic frameworks have demonstrated the ability to selectively adsorb xenon and krypton at ambient conditions. Here we carry out a high-throughput computational screening of large databases of metal-organic frameworks and identify SBMOF-1 as the most selective for xenon. We affirm this prediction and report that SBMOF-1 exhibits by far the highest reported xenon adsorption capacity and a remarkable Xe/Kr selectivity under conditions pertinent to nuclear fuel reprocessing.

SUBMITTER: Banerjee D

PROVIDER: S-EPMC4909987 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Biomimetic O<sub>2</sub> adsorption in an iron metal-organic framework for air separation.

Project description:Bio-inspired motifs for gas binding and small molecule activation can be used to design more selective adsorbents for gas separation applications. Here, we report an iron metal-organic framework, Fe-BTTri (Fe3[(Fe4Cl)3(BTTri)8]2·18CH3OH, H3BTTri = 1,3,5-tris(1H-1,2,3-triazol-5-yl)benzene), that binds O2 in a manner similar to hemoglobin and therefore results in highly selective O2 binding. As confirmed by gas adsorption studies and Mössbauer and infrared spectroscopy data, the exposed iron sites in the framework reversibly adsorb substantial amounts of O2 at low temperatures by converting between high-spin, square-pyramidal Fe(ii) centers in the activated material to low-spin, octahedral Fe(iii)-superoxide sites upon gas binding. This change in both oxidation state and spin state observed in Fe-BTTri leads to selective and readily reversible O2 binding, with the highest reported O2/N2 selectivity for any iron-based framework.

| S-EPMC8148054 | biostudies-literature

A multifunctional microporous metal-organic framework: efficient adsorption of iodine and column-chromatographic dye separation.

Project description:In this work, a multifunctional microporous metal-organic framework (MOF), [Cd(ABTC)(H2O)2(DMA)]·4DMA (JLNU-4; JLNU = Jilin Normal University; H4ABTC = 3,3',5,5'-azobenzenetetracarboxylic acid), has been synthesized based on the ligand H4ABTC under solvothermal conditions. JLNU-4 shows excellent uptake of iodine both in solution and in the vapor phase, owing to the existence of a microporous structure in JLNU-4. The adsorption kinetics during the process of iodine adsorption were analyzed via a series of qualitative and quantitative analyses, such as the Langmuir and Freündlich adsorption isotherms. In addition, according to UV/vis spectroscopy analysis and the colour variance of JLNU-4, the relatively small sized dye methylene blue (MB) could be efficiently adsorbed by JLNU-4, through size-exclusion effects. Particularly, JLNU-4 can serve as a column-chromatographic filler for the separation of dye molecules. Therefore, JLNU-4 is a multifunctional microporous MOF for iodine adsorption and column-chromatographic dye separation.

| S-EPMC9088860 | biostudies-literature

Selective sulfur dioxide adsorption on crystal defect sites on an isoreticular metal organic framework series.

Project description:The widespread emissions of toxic gases from fossil fuel combustion represent major welfare risks. Here we report the improvement of the selective sulfur dioxide capture from flue gas emissions of isoreticular nickel pyrazolate metal organic frameworks through the sequential introduction of missing-linker defects and extra-framework barium cations. The results and feasibility of the defect pore engineering carried out are quantified through a combination of dynamic adsorption experiments, X-ray diffraction, electron microscopy and density functional theory calculations. The increased sulfur dioxide adsorption capacities and energies as well as the sulfur dioxide/carbon dioxide partition coefficients values of defective materials compared to original non-defective ones are related to the missing linkers enhanced pore accessibility and to the specificity of sulfur dioxide interactions with crystal defect sites. The selective sulfur dioxide adsorption on defects indicates the potential of fine-tuning the functional properties of metal organic frameworks through the deliberate creation of defects.

| S-EPMC5316851 | biostudies-literature

CO2-Selective Nanoporous Metal-Organic Framework Microcantilevers.

Project description:Nanoporous anodic aluminum oxide (AAO) microcantilevers are fabricated and MIL-53 (Al) metal-organic framework (MOF) layers are directly synthesized on each cantilever surface by using the aluminum oxide as the metal ion source. Exposure of the MIL53-AAO cantilevers to various concentrations of CO2, N2, CO, and Ar induces changes in their deflections and resonance frequencies. The results of the resonance frequency measurements for the different adsorbed gas molecules are almost identical when the frequency changes are normalized by the molecular weights of the gases. In contrast, the deflection measurements show that only CO2 adsorption induces substantial bending of the MIL53-AAO cantilevers. This selective deflection of the cantilevers is attributed to the strong interactions between CO2 and the hydroxyl groups in MIL-53, which induce structural changes in the MIL-53 layers. Simultaneous measurements of the resonance frequency and the deflection are performed to show that the diffusion of CO2 into the nanoporous MIL-53 layers occurs very rapidly, whereas the binding of CO2 to hydroxyl groups occurs relatively slowly, which indicates that the adsorption of CO2 onto the MIL-53 layers and the desorption of CO2 from the MIL-53 layers are reaction limited.

| S-EPMC4451844 | biostudies-other

Highly Selective Metal-Organic Framework Textile Humidity Sensor.

Project description:The increase in demand and popularity of smart textiles brings new and innovative ideas to develop a diverse range of textile-based devices for our daily life applications. Smart textile-based sensors (TEX sensors) become attractive due to the potential to replace current solid-state sensor devices with flexible and wearable devices. We have developed a smart textile sensor for humidity detection using a metal-organic framework (MOF) as an active thin-film layer. We show for the first time the use of the Langmuir-Blodgett (LB) technique for the deposition of a MIL-96(Al) MOF thin film directly onto the fabrics containing interdigitated textile electrodes for the fabrication of a highly selective humidity sensor. The humidity sensors were made from two different types of textiles, namely, linen and cotton, with the linen-based sensor giving the best response due to better coverage of MOF. The TEX sensor showed a reproducible response after multiple cycles of measurements. After 3 weeks of storage, the sensor showed a moderate decrease in response. Moreover, TEX sensors showed a high level of selectivity for the detection of water vapors in the presence of several volatile organic compounds (VOCs). Interestingly, the selectivity is superior to some of the previously reported MOF-coated solid-state interdigitated electrode devices and textile sensors. The method herein described is generic and can be extended to other textiles and coating materials for the detection of toxic gases and vapors.

| S-EPMC7467549 | biostudies-literature

Ultrathin water-stable metal-organic framework membranes for ion separation.

Project description:Owing to the rich porosity and uniform pore size, metal-organic frameworks (MOFs) offer substantial advantages over other materials for the precise and fast membrane separation. However, achieving ultrathin water-stable MOF membranes remains a great challenge. Here, we first report the successful exfoliation of two-dimensional (2D) monolayer aluminum tetra-(4-carboxyphenyl) porphyrin framework (termed Al-MOF) nanosheets. Ultrathin water-stable Al-MOF membranes are assembled by using the exfoliated nanosheets as building blocks. While achieving a water flux of up to 2.2 mol m?2 hour?1 bar?1, the obtained 2D Al-MOF laminar membranes exhibit rejection rates of nearly 100% on investigated inorganic ions. The simulation results confirm that intrinsic nanopores of the Al-MOF nanosheets domain the ion/water separation, and the vertically aligned aperture channels are the main transport pathways for water molecules.

| S-EPMC7274808 | biostudies-literature

Cadmium-BINOL Metal-Organic Framework for the Separation of Alcohol Isomers.

Project description:The large-scale isolation of specific isomers of amyl alcohols for applications in the chemical, pharmaceutical, and biochemical industries represents a challenging task due to the physicochemical similarities of these structural isomers. The homochiral metal-organic framework cadmium-BINOL (BINOL=1,1'-bi-2-naphthol) is suitable for the separation of pentanol isomers, combining adsorption selectivities above 5 with adsorption capacities of around 4.5 mol kg-1 . Additionally, a slight ability for separation of racemic mixtures of 2-pentanol is also detected. This behavior is explained based on matching shapes, strength of host-guest interactions, and on the network of hydrogen bonds. The last of these explains both the relative success and shortfalls of prediction methods at high loadings (ideal adsorbed solution theory) or at low coverage (separation factors), which are therefore useful here at a qualitative level, but not accurate in quantitative terms. Finally, the high selectivity of cadmium-BINOL for 1-pentanol over its isomers offers prospects for practical applications and some room for optimizing conditions.

| S-EPMC5299469 | biostudies-literature

Metal-organic framework nanosheets in polymer composite materials for gas separation.

Project description:Composites incorporating two-dimensional nanostructures within polymeric matrices have potential as functional components for several technologies, including gas separation. Prospectively, employing metal-organic frameworks (MOFs) as versatile nanofillers would notably broaden the scope of functionalities. However, synthesizing MOFs in the form of freestanding nanosheets has proved challenging. We present a bottom-up synthesis strategy for dispersible copper 1,4-benzenedicarboxylate MOF lamellae of micrometre lateral dimensions and nanometre thickness. Incorporating MOF nanosheets into polymer matrices endows the resultant composites with outstanding CO2 separation performance from CO2/CH4 gas mixtures, together with an unusual and highly desired increase in the separation selectivity with pressure. As revealed by tomographic focused ion beam scanning electron microscopy, the unique separation behaviour stems from a superior occupation of the membrane cross-section by the MOF nanosheets as compared with isotropic crystals, which improves the efficiency of molecular discrimination and eliminates unselective permeation pathways. This approach opens the door to ultrathin MOF-polymer composites for various applications.

| S-EPMC4270742 | biostudies-literature

Exploring the Potential of a Highly Scalable Metal-Organic Framework CALF-20 for Selective Gas Adsorption at Low Pressure.

Project description:In this study, the ability of the highly scalable metal-organic framework (MOF) CALF-20 to adsorb polar and non-polar gases at low pressure was investigated using grand canonical Monte Carlo (GCMC) and molecular dynamics (MD) simulations. The results from the simulated adsorption isotherms revealed that the highest loading was achieved for SO2 and Cl2, while the lowest loading was found for F2 molecules. The analysis of interaction energies indicated that SO2 molecules were able to form the strongest adsorbent-adsorbate interactions and had a tight molecular packing due to their polarity and angular structure. Additionally, Cl2 gas was found to be highly adsorbed due to its large van der Waals surface and strong chemical affinity in CALF-20 pores. MD simulations showed that SO2 and Cl2 had the lowest mobility inside CALF-20 pores. The values of the Henry coefficient and isosteric heat of adsorption confirmed that CALF-20 could selectively adsorb SO2 and Cl2. Based on the results, it was concluded that CALF-20 is a suitable adsorbent for SO2 and Cl2 but not for F2. This research emphasizes the importance of molecular size, geometry, and polarity in determining the suitability of a porous material as an adsorbent for specific adsorbates.

| S-EPMC9921038 | biostudies-literature

High Volumetric Hydrogen Adsorption in a Porous Anthracene-Decorated Metal-Organic Framework.

Project description:We report an unprecedented ligand-based binding domain for D2 within a porous metal-organic framework (MOF) material as confirmed by neutron powder diffraction studies of D2-loaded MFM-132a. A tight pocket of 6 Å diameter is formed by the close packing of three anthracene panels, and it is here rather than the open metal sites where D2 binds preferentially. As a result, MFM-132a shows exceptional volumetric hydrogen adsorption (52 g L-1 at 60 bar and 77 K) and the highest density of adsorbed H2 within its pores among all the porous materials reported to date under the same conditions. This work points to a new direction for H2 storage in porous materials using polyaromatic ligand-based sites.

| S-EPMC6168839 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data