Accurate description of phase diagram of clathrate hydrates at the molecular level

• Published in: The Journal of chemical physics Vol. 131; no. 24; p. 244510
• Main Authors: Belosudov, Rodion V, Subbotin, Oleg S, Mizuseki, Hiroshi, Kawazoe, Yoshiyuki, Belosludov, Vladimir R
• Format: Journal Article
• Language: English
• Published: United States 28.12.2009

In order to accurately estimate the thermodynamic properties of hydrogen clathrate hydrates, we developed a method based on the solid solution theory of van der Waals and Platteeuw. This model allows one to take into account the influence of guest molecules on the host lattice and guest-guest intera...