Alkali Metal Ion Decorated Crown Ethers as an Enhancing Agent for Hydrogen Storage in the Metal–Organic Framework (MOF): Density Functional Theoretical Investigation

2020 ◽  
pp. 249-260
Author(s):  
Anil Boda ◽  
Sk. Musharaf Ali ◽  
K. T. Shenoy ◽  
S. Mohan
Keyword(s):  
Alkali Metal ◽  
Hydrogen Storage ◽  
Crown Ethers ◽  
Theoretical Investigation ◽  
Metal Ion ◽  
Density Functional ◽  
Metal Organic Framework ◽  
Alkali Metal Ion ◽  
Metal Organic ◽  
Organic Framework

Density Functional Investigation of the Conversion of Furfural to Furfuryl Alcohol by Reaction with i-Propanol over UiO-66 Metal–Organic Framework

2021 ◽  
Author(s):  
Jarinya Sittiwong ◽  
Sininat Boonmark ◽  
Watinee Nunthakitgoson ◽  
Thana Maihom ◽  
Chularat Wattanakit ◽  
...  
Keyword(s):  
Furfuryl Alcohol ◽  
Density Functional ◽  
Metal Organic Framework ◽  
Metal Organic ◽  
Functional Investigation ◽  
Organic Framework

scholarly journals Selective capture of carbon dioxide from hydrocarbons using a metal-organic framework

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Omid T. Qazvini ◽  
Ravichandar Babarao ◽  
Shane G. Telfer
Keyword(s):  
Carbon Dioxide ◽  
Density Functional ◽  
Metal Organic Framework ◽  
Density Functional Theory Calculations ◽  
Time Lags ◽  
X Ray Crystallography ◽  
Metal Organic ◽  
Adsorption Of Co ◽  
Short Time ◽  
Organic Framework

AbstractEfficient and sustainable methods for carbon dioxide capture are highly sought after. Mature technologies involve chemical reactions that absorb CO2, but they have many drawbacks. Energy-efficient alternatives may be realised by porous physisorbents with void spaces that are complementary in size and electrostatic potential to molecular CO2. Here, we present a robust, recyclable and inexpensive adsorbent termed MUF-16. This metal-organic framework captures CO2 with a high affinity in its one-dimensional channels, as determined by adsorption isotherms, X-ray crystallography and density-functional theory calculations. Its low affinity for other competing gases delivers high selectivity for the adsorption of CO2 over methane, acetylene, ethylene, ethane, propylene and propane. For equimolar mixtures of CO2/CH4 and CO2/C2H2, the selectivity is 6690 and 510, respectively. Breakthrough gas separations under dynamic conditions benefit from short time lags in the elution of the weakly-adsorbed component to deliver high-purity hydrocarbon products, including pure methane and acetylene.

Simulation of hydrogen storage tank packed with metal-organic framework

2013 ◽  
Vol 38 (29) ◽  
pp. 13000-13010 ◽  
Author(s):  
Jinsheng Xiao ◽  
Min Hu ◽  
Pierre Bénard ◽  
Richard Chahine
Keyword(s):  
Hydrogen Storage ◽  
Storage Tank ◽  
Metal Organic Framework ◽  
Metal Organic ◽  
Organic Framework

Metal–organic framework materials for hydrogen storage

2008 ◽  
Author(s):  
P Hubberstey ◽  
J Jia ◽  
M Schröder ◽  
N Champness ◽  
X Lin
Keyword(s):  
Hydrogen Storage ◽  
Metal Organic Framework ◽  
Framework Materials ◽  
Metal Organic ◽  
Organic Framework

Activated carbon @ MIL-101(Cr): a potential metal-organic framework composite material for hydrogen storage

2011 ◽  
Vol 37 (7) ◽  
pp. 746-753 ◽  
Author(s):  
P. B. Somayajulu Rallapalli ◽  
Manoj C. Raj ◽  
Dinesh V. Patil ◽  
K. P. Prasanth ◽  
Rajesh S. Somani ◽  
...  
Keyword(s):  
Composite Material ◽  
Activated Carbon ◽  
Hydrogen Storage ◽  
Metal Organic Framework ◽  
Metal Organic ◽  
Organic Framework
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