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The Influence of Intrinsic Framework Flexibility on Adsorption in Nanoporous Materials

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Owing to their high surface areas, tunable pore dimensions, and adjustable surface functionality, metal-org. frameworks (MOFs) can offer advantages for a variety of gas storage and gas sepn. applications. In an effort to reduce the major energy requirement ...

American Chemical Society2013

Selective adsorption of ethylene over ethane and propylene over propane in the metal-organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Zn)

Wendy Lee Queen

A significant redn. in the energy costs assocd. with the cryogenic sepn. of ethylene-ethane and propylene-propane mixts. could potentially be realized through the use of selective solid adsorbents that operate at higher temps. The metal-org. frameworks M2( ...

2013

Evaluating mixture adsorption models using molecular simulation

Berend Smit, Ji Hyun Kim

The design of adsorption-based separation processes using novel adsorbents requires reliable data for the adsorption of fluid mixtures on candidate adsorbents. Due to the difficulty of generating sufficient data across possible operating conditions, proces ...

2013

Porous polymer networks (PPNs) are a class of porous materials of particular interest in a variety of energy-related applications because of their stability, high surface areas, and gas uptake capacities. Computationally derived structures for five recentl ...

2013

Probing Adsorption Interactions in Metal-Organic Frameworks using X-ray Spectroscopy

Berend Smit

We explore the local electronic signatures of molecular adsorption at coordinatively unsaturated binding sites in the metal-organic framework Mg-MOF-74 using X-ray spectroscopy and first-principles calculations. In situ measurements at the Mg K-edge reveal ...

2013

Evaluation of cation-exchanged zeolite adsorbents for post-combustion carbon dioxide capture

Wendy Lee Queen

Zeolite adsorbents were evaluated for potential application in post-combustion CO2 capture using a new high-throughput gas adsorption instrument capable of measuring 28 samples in parallel. Among the zeolites tested, Ca-A exhibits the highest CO2 uptake (3 ...

2013

Structures and properties of CO2 adsorbed in porous materials

Wendy Lee Queen

Typical flue gas streams have low concns. of CO2 and high gas flow rates, making porous materials, such as zeolites, metal-org. frameworks (MOFs), and activated carbons promising options for the future sepn./sequestration of CO2. These framework materials ...

American Chemical Society2012

Unconventional, Highly Selective CO2 Adsorption in Zeolite SSZ-13

Wendy Lee Queen

Low-pressure adsorption of carbon dioxide and nitrogen was studied in both acidic and copper-exchanged forms of SSZ-13, a zeolite contg. an 8-ring window. Under ideal conditions for industrial sepns. of CO2 from N2, the ideal adsorbed soln. theory selectiv ...

2012

The Use of Metal-Organic Frameworks as Adsorbents for Hydrogen Purification

Berend Smit

Metal-organic frameworks of the family M2 (2,5-dioxido-1,4-benzenedicarboxylate) wherein M=Mg, Mn, Fe, Co, Cu, Ni or Zn are a group of porous crystalline materials formed of metal cations or clusters joined by multitopic organic linkers that can be used to ...

2011

Hydrogen storage properties of copper and silver exchanged zeolite SSZ-13

Wendy Lee Queen

Copper and silver cation-exchanged zeolite SSZ-13 present an interesting opportunity to study the mechanism of interaction of adsorbate gases, primarily hydrogen (H2), with the ion-exchange sites in zeolites as there is only one type of cation site, in con ...

American Chemical Society2011