Publication
The Influence of Intrinsic Framework Flexibility on Adsorption in Nanoporous Materials
Publications associées (50)
Biporous Metal-Organic Framework with Tunable CO2/CH4 Separation Performance Facilitated by Intrinsic Flexibility
Berend Smit, Kyriakos Stylianou, Seyedmohamad Moosavi, Daniele Ongari, Peter George Boyd, Andrzej Gladysiak, Arunraj Chidambaram, Kathryn Suzanne Deeg, Kaili Yee Ordiz
In this work, we report the synthesis of SION-8, a novel metal-organic framework (MOF) based on Ca(II) and a tetracarboxylate ligand TBAPy(4-) endowed with two chemically distinct types of pores characterized by their hydrophobic and hydrophilic properties ...
2018Statistical mechanical model of gas adsorption in porous crystals with dynamic moieties
Berend Smit, Cory Matthew Simon, Efrem Daniel Braun
Some nanoporous, crystalline materials possess dynamic constituents, for example, rotatable moieties. These moieties can undergo a conformation change in response to the adsorption of guest molecules, which qualitatively impacts adsorption behavior. We pos ...
National Academy of Sciences2017Rational Design of a Low-Cost, High-Performance Metal-Organic Framework for Hydrogen Storage and Carbon Capture
Berend Smit, Kyriakos Stylianou, Andrzej Gladysiak, Matthew David Witman
We present the in silico design of a MOF-74 analogue, hereon known as M-2(DHFUMA) [M = Mg, Fe, Co, Ni, Zn], with enhanced small-molecule adsorption properties over the original M-2(DOBDC) series. Constructed from 2,3-dihydroxyfumarate (DHFUMA), an aliphati ...
American Chemical Society2017Xenon Recovery at Room Temperature using Metal-Organic Frameworks
Xenon is known to be a very efficient anesthetic gas, but its cost prohibits the wider use in medical industry and other potential applications. It has been shown that Xe recovery and recycling from anesthetic gas mixtures can significantly reduce its cost ...
Wiley-Blackwell2017Activated carbon fibers for efficient VOC removal from diluted streams: the role of surface morphology
Albert Renken, Lioubov Kiwi, Guillaume Bastien Baur
The effect of the micropore structure of activated carbon fibers (ACFs) on the adsorption of toluene at low concentration (10-80 ppmv) was studied over two types of ACFs. Both adsorbents presented similar surface chemistry but different porous structure: o ...
Springer Verlag2015Flexible metal-organic framework compounds: In situ studies for selective CO2 capture
Results are presented that explore the dynamic structural changes occurring in two highly flexible nanocryst. metal-org. framework (MOF) compds. during the adsorption and desorption of pure gases and binary mixts. The Ni(1,2-bis(4-pyridyl)ethylene)[Ni(CN)4 ...
2015Nanoporous Materials Can Tune the Critical Point of a Pure Substance
Berend Smit, Efrem Daniel Braun, Sondre Kvalvag Schnell
Molecular simulations and NMR relaxometry experiments demonstrate that pure benzene or xylene confined in isoreticular metal-organic frameworks (IRMOFs) exhibit true vapor-liquid phase equilibria where the effective critical point may be reduced by tuning ...
Wiley-Blackwell2015Gas separations in metal-organic frameworks
Wendy Lee Queen, Miguel Gonzalez
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 help curb greenhouse gas emissions ...
American Chemical Society2015Development of Adsorbents for Selective Volatile Organic Compounds Removal from Diluted Gas Streams
Contamination of the environment by anthropogenic volatile organic compounds (VOC) became of major concern during the last decades. Present in gas streams of many industrial exhausts, they are harmful and detrimental for both human health and environment e ...
EPFL2015Metal-organic frameworks for on-board storage of hydrogen and natural gas
Wendy Lee Queen, Miguel Gonzalez
Materials exhibiting reversible hydrogen adsorption with high gravimetric and volumetric capacities are sought for use in on-board storage systems of hydrogen fuel cell-powered vehicles. Microporous metal-org. frameworks with high internal surface areas ha ...
American Chemical Society2015