Hydrogen-bonding alcohol-water interactions in binary ethanol, 1-propanol, and 2-propanol+methane structure II clathrate hydrates
نویسندگان
چکیده
منابع مشابه
Molecular 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...
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We report the first rotational spectrum of the ground state of the isolated ethanol-water dimer using chirped-pulse Fourier transform microwave spectroscopy between 8-18 GHz. With the aid of isotopic substitutions, and ab initio calculations, we identify the measured conformer as a water-donor/ethanol-acceptor structure. Ethanol is found to be in the gauche conformation, while the monomer dista...
متن کاملRaman spectroscopic studies of hydrogen clathrate hydrates.
Raman spectroscopic measurements of simple hydrogen and tetrahydrofuran+hydrogen sII clathrate hydrates have been performed. Both the roton and vibron bands illuminate interesting quantum dynamics of enclathrated H(2) molecules. The complex vibron region of the Raman spectrum has been interpreted by observing the change in population of these bands with temperature, measuring the absolute H(2) ...
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Scientific knowledge of natural clathrate hydrates has grown enormously over the past decade, with spectacular new findings of large exposures of complex hydrates on the sea floor, the development of new tools for examining the solid phase in situ, significant progress in modeling natural hydrate systems, and the discovery of exotic hydrates associated with sea floor venting of liquid CO2. Majo...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2010
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.3469776