Multiple guest occupancy in clathrate hydrates and its significance in hydrogen storage.
نویسندگان
چکیده
We report a new concept of structural transformation combined with tuning phenomena which together result in a significant increase in the hydrogen storage capacity in an icy material. It is necessary to investigate the use of a fully water-soluble structure H (sH) former so as to observe how hydrogen molecules are stably loaded into hydrate cages.
منابع مشابه
On the thermodynamic stability of hydrogen clathrate hydrates.
The cage occupancy of hydrogen clathrate hydrate has been examined by grand canonical Monte Carlo (GCMC) simulations for wide ranges of temperature and pressure. The simulations are carried out with a fixed number of water molecules and a fixed chemical potential of the guest species so that hydrogen molecules can be created or annihilated in the clathrate. Two types of the GCMC simulations are...
متن کاملMolecular Hydrogen Storage in Novel Binary Clathrate Hydrates at Near-Ambient Temperatures and Pressures, excerpt from DOE Hydrogen Program 2006 Progress Report
Program Scope Clathrate hydrates are inclusion compounds in which guest molecules occupy the cages formed by a hydrogen-bonded water network [1]. Solid gas clathrate hydrates generally form at high pressures and temperatures near or even above the ice point. Pure hydrogen hydrates have been reported to form cubic structure II hydrates under extreme conditions (200 MPa at 280 K) [2]. We have rec...
متن کاملMolecular Dynamics Simulations of Guest – Host Hydrogen Bonding in Structure I, Ii, and H Clathrate Hydrates
The standard picture is that clathrate hydrates form when hydrophobic guest molecules are compressed with water under high pressure-low temperature conditions. In the ice-like hydrate framework, water molecules form molecule-sized cavities that encapsulate the guests and minimize water-hydrophobic guest interactions. This picture, however, must be modified by observations that many water solubl...
متن کاملA molecular dynamics study of guest-host hydrogen bonding in alcohol clathrate hydrates.
Clathrate hydrates are typically stabilized by suitably sized hydrophobic guest molecules. However, it has been experimentally reported that isomers of amyl-alcohol C5H11OH can be enclosed into the 5(12)6(4) cages in structure II (sII) clathrate hydrates, even though the effective radii of the molecules are larger than the van der Waals radii of the cages. To reveal the mechanism of the anomalo...
متن کاملStructural transformation and tuning behavior induced by the propylamine concentration in hydrogen clathrate hydrates.
The structures and the guest-host distributions of iso-propylamine (i-PA) and n-propylamine (n-PA) hydrates with hydrogen as a secondary guest were identified by powder X-ray diffraction and Raman spectroscopic analysis. The structure of 11.1 mol% i-PA + H2 hydrate was identified to be hexagonal (space group P63/mmc) with a few unindexed diffraction peaks, while 5.6 mol% i-PA + H2 hydrate had a...
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عنوان ژورنال:
- Chemical communications
دوره 49 60 شماره
صفحات -
تاریخ انتشار 2013