Thermodynamics of the structural transition in metal–organic frameworks

2016 ◽  
Vol 45 (10) ◽  
pp. 4274-4282 ◽  
Author(s):  
J. Rodriguez ◽  
I. Beurroies ◽  
M.-V. Coulet ◽  
P. Fabry ◽  
T. Devic ◽  
...  
Keyword(s):  
Structural Transition ◽  
Metal Organic Frameworks ◽  
Thermodynamic Study ◽  
Large Pore ◽  
Metal Organic

A thermodynamic study of the structural large-pore (LP) to narrow pore (NP) transition in various Metal Organic Frameworks (MOFs) is presented.

Large-Pore Apertures in a Series of Metal-Organic Frameworks

Science ◽  
2012 ◽  
Vol 336 (6084) ◽  
pp. 1018-1023 ◽  
Author(s):  
H. Deng ◽  
S. Grunder ◽  
K. E. Cordova ◽  
C. Valente ◽  
H. Furukawa ◽  
...  
Keyword(s):  
Metal Organic Frameworks ◽  
Large Pore ◽  
Metal Organic

scholarly journals Predicting the Features of Methane Adsorption in Large Pore Metal-Organic Frameworks for Energy Storage

Nanomaterials ◽  
2018 ◽  
Vol 8 (10) ◽  
pp. 818 ◽  
Author(s):  
George Manos ◽  
Lawrence Dunne
Keyword(s):  
Gas Adsorption ◽  
Metal Organic Frameworks ◽  
Gas Storage ◽  
Methane Adsorption ◽  
Energy Applications ◽  
Adsorbed Gas ◽  
Theoretical Approaches ◽  
Large Pore ◽  
Metal Organic ◽  
Computer Simulation Studies

Currently, metal-organic frameworks (MOFs) are receiving significant attention as part of an international push to use their special properties in an extensive variety of energy applications. In particular, MOFs have exceptional potential for gas storage especially for methane and hydrogen for automobiles. However, using theoretical approaches to investigate this important problem presents various difficulties. Here we present the outcomes of a basic theoretical investigation into methane adsorption in large pore MOFs with the aim of capturing the unique features of this phenomenon. We have developed a pseudo one-dimensional statistical mechanical theory of adsorption of gas in a MOF with both narrow and large pores, which is solved exactly using a transfer matrix technique in the Osmotic Ensemble (OE). The theory effectively describes the distinctive features of adsorption of gas isotherms in MOFs. The characteristic forms of adsorption isotherms in MOFs reflect changes in structure caused by adsorption of gas and compressive stress. Of extraordinary importance for gas storage for energy applications, we find two regimes of Negative gas adsorption (NGA) where gas pressure causes the MOF to transform from the large pore to the narrow pore structure. These transformations can be induced by mechanical compression and conceivably used in an engine to discharge adsorbed gas from the MOF. The elements which govern NGA in MOFs with large pores are identified. Our study may help guide the difficult program of work for computer simulation studies of gas storage in MOFs with large pores.

Exploration of Structural Transition Phenomenon in Flexible Metal-Organic Framework Formed on Polymer Substrate

CrystEngComm ◽  
2021 ◽  
Author(s):  
Shoya Hirao ◽  
Ruho Hamagami ◽  
Takashi Ohhashi ◽  
Keiichi Eguchi ◽  
Neo Kubo ◽  
...  
Keyword(s):  
Structural Transition ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
Polymer Substrate ◽  
Transition Phenomenon ◽  
Metal Organic ◽  
Flexible Metal ◽  
Organic Framework

Control of structural transition in flexible metal-organic frameworks (MOFs) on a substrate is crucial for controlling their properties for the development of MOF-based applications. In this study, we investigate the...

Large-pore mesoporous Mn3O4 crystals derived from metal–organic frameworks

2013 ◽  
Vol 49 (99) ◽  
pp. 11695 ◽  
Author(s):  
Li Peng ◽  
Jianling Zhang ◽  
Zhimin Xue ◽  
Buxing Han ◽  
Jianshen Li ◽  
...  
Keyword(s):  
Metal Organic Frameworks ◽  
Large Pore ◽  
Metal Organic

Strategies for Characterization of Large-Pore Metal-Organic Frameworks by Combined Experimental and Computational Methods

2009 ◽  
Vol 21 (20) ◽  
pp. 4768-4777 ◽  
Author(s):  
Youn-Sang Bae ◽  
David Dubbeldam ◽  
Andrew Nelson ◽  
Krista S. Walton ◽  
Joseph T. Hupp ◽  
...  
Keyword(s):  
Computational Methods ◽  
Metal Organic Frameworks ◽  
Large Pore ◽  
Metal Organic
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