Journal ArticleDOI
Tuning clathrate hydrates for hydrogen storage
Huen Lee,Jongwon Lee,Do Youn Kim,Jeasung Park,Yutaek Seo,Huang Zeng,Igor L. Moudrakovski,Christopher I. Ratcliffe,John A. Ripmeester +8 more
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TLDR
Hydrogen storage capacities in THF-containing binary-clathrate hydrates can be increased to ∼4 wt% at modest pressures by tuning their composition to allow the hydrogen guests to enter both the larger and the smaller cages, while retaining low-pressure stability.Abstract:
The storage of large quantities of hydrogen at safe pressures is a key factor in establishing a hydrogen-based economy. Previous strategies--where hydrogen has been bound chemically, adsorbed in materials with permanent void space or stored in hybrid materials that combine these elements--have problems arising from either technical considerations or materials cost. A recently reported clathrate hydrate of hydrogen exhibiting two different-sized cages does seem to meet the necessary storage requirements; however, the extreme pressures (approximately 2 kbar) required to produce the material make it impractical. The synthesis pressure can be decreased by filling the larger cavity with tetrahydrofuran (THF) to stabilize the material, but the potential storage capacity of the material is compromised with this approach. Here we report that hydrogen storage capacities in THF-containing binary-clathrate hydrates can be increased to approximately 4 wt% at modest pressures by tuning their composition to allow the hydrogen guests to enter both the larger and the smaller cages, while retaining low-pressure stability. The tuning mechanism is quite general and convenient, using water-soluble hydrate promoters and various small gaseous guests.read more
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Journal ArticleDOI
Theoretical modeling of the thermodynamic properties and the phase diagram of binary gas hydrates of argon and hydrogen
Ravil K. Zhdanov,Kirill V. Gets,Rodion V. Belosludov,Oleg S. Subbotin,Yulia Yu. Bozhko,Vladimir R. Belosludov +5 more
TL;DR: Theoretical calculation of the thermodynamic properties and determining of equilibrium hydrate composition of binary argon+hydrogen hydrates has been performed with taking into account the concurrent cage occupation by different guest types as discussed by the authors.
Journal ArticleDOI
Cucurbiturils as promising hydrogen storage materials: a case study of cucurbit[7]uril
TL;DR: In this article, the hydrogen storage capacity of cucurbit[7]uril, as a representative of the cucurbitsuril family, at the ωB97X-D/6-31G(d,p) level of theory was investigated.
Journal ArticleDOI
Molecular-Dynamics and First-Principles Calculations of Raman Spectra and Molecular and Electronic Structure of Hydrogen Clusters in Hydrogen Clathrate Hydrate
TL;DR: In this paper, first-principles calculations are employed to understand vibrational spectroscopy and molecular and electronic structure of the encaged hydrogen molecules in hydrogen clathrate hydrate.
Journal ArticleDOI
Accelerated formation of THF-H2 clathrate hydrate in porous media.
Dipendu Saha,Shuguang Deng +1 more
TL;DR: Stoichiometric tetrahydrofuran-hydrogen binary clathrate hydrates with approximately 1 wt % hydrogen loading formed in the mesopores of four porous media with median pore diameters of 49, 65, 100, and 226 A at 270 K and hydrogen pressure of 65 bar.
Journal ArticleDOI
Hydrogen Sorption Efficiency of Titanium-Functionalized Mg–BN Framework
Madhu Samolia,T. J. Dhilip Kumar +1 more
TL;DR: In this article, metal-organic framework with organic linker is replaced with BN linker namely borazocine (B4N4H8) and is functionalized with Ti, enhancing the stability and storage capacity of the framework.
References
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Hydrogen clusters in clathrate hydrate.
Wendy L. Mao,Wendy L. Mao,Ho-kwang Mao,Alexander F. Goncharov,Viktor V. Struzhkin,Quanzhong Guo,J. Z. Hu,Jinfu Shu,Russell J. Hemley,Maddury Somayazulu,Yusheng Zhao +10 more
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