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1.
Inorg Chem ; 55(23): 12110-12113, 2016 Dec 05.
Artículo en Inglés | MEDLINE | ID: mdl-27934404

RESUMEN

Coordinatively unsaturated metal-organic frameworks (MOFs) were studied for boron trifluoride (BF3) sorption. MOF-74-Mg, MOF-74-Mn, and MOF-74-Co show high initial uptake (below 6.7 × 10-3 bar) with negligible deliverable capacity. The BF3 isotherm of MOF-74-Cu exhibits gradual uptake up to 0.9 bar and has a deliverable gravimetric capacity that is more than 100% higher than activated carbon. Two other Cu2+ MOFs, MOF-505 and HKUST-1, have slightly lower deliverable capacities compared to MOF-74-Cu.

2.
Phys Rev Lett ; 112(13): 138104, 2014 Apr 04.
Artículo en Inglés | MEDLINE | ID: mdl-24745461

RESUMEN

When mammalian cells form confluent monolayers completely filling a plane, these apparently random "tilings" show regularity in the statistics of cell areas for various types of epithelial and endothelial cells. The observed distributions are reproduced by a model which accounts for cell growth and division, with the latter treated stochastically both in terms of the sizes of the dividing cells as well as the sizes of the "newborn" ones--remarkably, the modeled and experimental distributions fit well when all free parameters are estimated directly from experiments.


Asunto(s)
Células Endoteliales/citología , Células Epiteliales/citología , Modelos Biológicos , Animales , Células CHO , División Celular/fisiología , Procesos de Crecimiento Celular/fisiología , Línea Celular , Cricetulus , Perros , Humanos , Células de Riñón Canino Madin Darby , Porcinos
3.
Angew Chem Int Ed Engl ; 53(51): 14092-5, 2014 Dec 15.
Artículo en Inglés | MEDLINE | ID: mdl-25319881

RESUMEN

We present a systematic study of metal-organic frameworks (MOFs) for the storage of oxygen. The study starts with grand canonical Monte Carlo simulations on a suite of 10,000 MOFs for the adsorption of oxygen. From these data, the MOFs were down selected to the prime candidates of HKUST-1 (Cu-BTC) and NU-125, both with coordinatively unsaturated Cu sites. Oxygen isotherms up to 30 bar were measured at multiple temperatures to determine the isosteric heat of adsorption for oxygen on each MOF by fitting to a Toth isotherm model. High pressure (up to 140 bar) oxygen isotherms were measured for HKUST-1 and NU-125 to determine the working capacity of each MOF. Compared to the zeolite NaX and Norit activated carbon, NU-125 has an increased excess capacity for oxygen of 237% and 98%, respectively. These materials could ultimately prove useful for oxygen storage in medical, military, and aerospace applications.


Asunto(s)
Simulación de Dinámica Molecular , Compuestos Organometálicos/química , Oxígeno/química , Adsorción , Método de Montecarlo , Propiedades de Superficie
4.
Angew Chem Int Ed Engl ; 51(11): 2662-6, 2012 Mar 12.
Artículo en Inglés | MEDLINE | ID: mdl-22298442

RESUMEN

Chemistry in motion: a combination of confocal microscopy and reaction-diffusion modeling provided a powerful toolkit with which solution transport into metal-organic framework crystals was studied. Commonly used pure diffusion models are insufficient to describe this process and, instead, it is necessary to account for the interactions of the guest molecules and the MOF scaffold.


Asunto(s)
Metales/química , Compuestos Orgánicos/química , Soluciones/química , Cristalización , Difusión , Modelos Moleculares
5.
ACS Appl Mater Interfaces ; 13(44): 52106-52112, 2021 Nov 10.
Artículo en Inglés | MEDLINE | ID: mdl-34383458

RESUMEN

As metal-organic frameworks (MOFs) gain traction for applications, such as hydrogen storage, it is essential to form the as-synthesized powder materials into shaped bodies with high packing densities to maximize their volumetric performance. Mechanical compaction, which involves compressing the materials at high pressure, has been reported to yield high monolith density but often results in a significant loss in accessible porosity. Herein, we sought to systematically control (1) crystal size, (2) solvation, and (3) compacting pressure in the pelletization process to achieve high packing density without compromising the porosity that makes MOFs functional. It was determined that solvation is the most critical factor among the three factors examined. Solvation that exceeds the pore volume prevents the framework from collapsing, allowing for porosity to be maintained through pelletization. Higher pelletization pressure results in higher packing density, with extensive loss of porosity being observed at a higher pressure if the solvation is below the pore volume. Lastly, we observed that the morphology and size of the MOF particles result in variation in the highest achievable packing efficiency, but these numbers (75%) are still greater than many existing techniques used to form MOFs. We concluded that the application of pressure through pelletization is a suitable and widely applicable technique for forming high-density MOF-monoliths.

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