Evaluation of the Hydrogen-Storage Capacity of Pure H2 and Binary H2-THF Hydrates with Monte Carlo Simulations

2008 ◽  
Vol 112 (27) ◽  
pp. 10294-10302 ◽  
Author(s):  
N. I. Papadimitriou ◽  
I. N. Tsimpanogiannis ◽  
A. Th. Papaioannou ◽  
A. K. Stubos
Keyword(s):  
Monte Carlo ◽  
Hydrogen Storage ◽  
Monte Carlo Simulations ◽  
Storage Capacity ◽  
Hydrogen Storage Capacity

Molecular Modeling Studies on a series of Metal-Organic Frameworks

2004 ◽  
Vol 837 ◽  
Author(s):  
Tae-Bum Lee ◽  
Daejin Kim ◽  
Seung-Hoon Choi ◽  
Eungsung Lee ◽  
Youjin Oh ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Hydrogen Storage ◽  
Density Functional ◽  
Storage Capacity ◽  
Metal Organic Frameworks ◽  
Adsorbed Hydrogen ◽  
Grand Canonical Monte Carlo ◽  
Hydrogen Storage Capacity ◽  
Metal Organic ◽  
Grand Canonical

ABSTRACTIn order to explore rational designs and synthetic strategies toward efficient hydrogen storage materials, quantum mechanical calculations and grand canonical Monte Carlo simulations have been carried out on a series of the Metal-Organic Frameworks containing various organic linkers. The calculations for specific surface areas and the shape of frontier orbitals for various frameworks indicate that the hydrogen storage capacity is largely dependent on the effective surface area of the material, rather than the free volume. Based on the iso-electrostatic potential surface from density functional calculations and the theoretical amount of adsorbed hydrogen from the grand canonical Monte Carlo calculations, it was also found that the electron localization around the organic linker plays an important role in the hydrogen storage capacity of Metal-Organic Frameworks. The prediction of the modeling study is supported by the hydrogen adsorption experiments with IRMOF-1 and -3, revealing the more enhanced hydrogen storage capacity of IRMOF-3 compared with that of IRMOF-1 at 77 K and H2 1 atm.

scholarly journals Correction: Cigarette butt-derived carbons have ultra-high surface area and unprecedented hydrogen storage capacity

2021 ◽  
Author(s):  
L. Scott Blankenship
Keyword(s):  
Hydrogen Storage ◽  
Surface Area ◽  
Storage Capacity ◽  
High Surface ◽  
High Surface Area ◽  
Hydrogen Storage Capacity ◽  
Cigarette Butt ◽  
Energy Environ

Correction for ‘Cigarette butt-derived carbons have ultra-high surface area and unprecedented hydrogen storage capacity’ by L. Scott Blankenship et al., Energy Environ. Sci., 2017, 10, 2552–2562, DOI: 10.1039/C7EE02616A.

scholarly journals Enabling Storage and Utilization of Low-Carbon Electricity: Power to Formic Acid

2021 ◽  
Author(s):  
Kuo-Wei Huang ◽  
Sudipta Chatterjee ◽  
Indranil Dutta ◽  
Yanwei Lum ◽  
Zhiping Lai
Keyword(s):  
Hydrogen Storage ◽  
Formic Acid ◽  
Storage Capacity ◽  
Energy Carrier ◽  
Hydrogen Energy ◽  
Low Carbon ◽  
Hydrogen Storage Capacity ◽  
Electricity Power ◽  
Low Toxicity

Formic acid has been proposed as a hydrogen energy carrier because of its many desirable properties, such as low toxicity and flammability, and a high volumetric hydrogen storage capacity of...

Devitrification and hydrogen storage capacity of the eutectic Ca72Mg28 metallic glass

2017 ◽  
Vol 725 ◽  
pp. 916-922 ◽  
Author(s):  
K. Saksl ◽  
J. Ďurišin ◽  
D. Balga ◽  
O. Milkovič ◽  
T. Brestovič ◽  
...  
Keyword(s):  
Metallic Glass ◽  
Hydrogen Storage ◽  
Storage Capacity ◽  
Hydrogen Storage Capacity

Mechanochemical synthesis of a Mg-Li-Al-H complex hydride

2009 ◽  
Vol 24 (9) ◽  
pp. 2880-2885 ◽  
Author(s):  
Jing Zhang ◽  
Wei Yan ◽  
Chenguang Bai ◽  
Fusheng Pan
Keyword(s):  
Solid Solution ◽  
Hydrogen Storage ◽  
Storage Capacity ◽  
Raw Materials ◽  
Initial Step ◽  
Hydrogen Atmosphere ◽  
Al Alloy ◽  
Hydrogen Storage Capacity ◽  
Scanning Calorimetry ◽  
Complex Hydride

Mg-Li-Al alloy was prepared by ingot casting and then underwent subsequent reactive ball milling. A Mg-Li-Al-H complex hydride was obtained under a 0.4 MPa hydrogen atmosphere at room temperature, and as high as 10.7 wt% hydrogen storage capacity was achieved, with the peak desorption temperature of the initial step at approximately 65 °C. The evolution of the reaction during milling, as well as the effect of Li/Al ratio in the raw materials on the desorption properties of the hydrides formed, were studied by x-ray diffraction and simultaneous thermogravimetry and differential scanning calorimetry techniques. The results showed that mechanical milling increases the solubility of Li in Mg, leading to the transformation of bcc β(Li) solid solution to hcp α(Mg) solid solution, the latter continues to incorporate Li and Al, which stimulates the formation of Mg-Li-Al-H hydride. A lower Li/Al ratio resulted in faster hydrogen desorption rate and a greater amount of hydrogen released at a low temperature range, but sacrificing total hydrogen storage capacity.

Study on Electrochemical Hydrogen Storage of Multi-Walled Carbon Nanotubes

2007 ◽  
Vol 26-28 ◽  
pp. 831-834 ◽  
Author(s):  
Lei Xie ◽  
Xiao Qi Li
Keyword(s):  
Carbon Nanotubes ◽  
Hydrogen Storage ◽  
Storage Capacity ◽  
Weight Percent ◽  
Chemical Form ◽  
Hydrogen Storage Capacity ◽  
Electrochemical Hydrogen Storage ◽  
Multi Walled Carbon Nanotubes ◽  
Walled Carbon Nanotubes ◽  
Discharging Capacity

The electrode(Ni-MWNTs) containing nickel(Ni) and multi-walled carbon nanotubes (MWNTs) was prepared by composite electrodeposit. Electrochemical hydrogen storage of the electrode was studied. The result showed a high electrochemical discharging capacity of up to 1361.1mA·h·g-1, which corresponds to a hydrogen storage capacity of 4.77Wt%(weight percent). Test of cyclic lifespan showed MWNTs had certain cyclic lifespan. Cyclic voltammetry tests showed that MWNTs can store hydrogen in chemical form.

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