Theoretical modeling of phase diagram of clathrate hydrates toward hydrogen storage applications

R. V. Belosludov, H. Mizuseki, O. S. Subbotin, V. R. Belosludov, Y. Kawazoe

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Original approach accounting for multiple cage occupancy, host lattice relaxation, and the description of the quantum nature of guest behavior has been used for estimation the thermodynamic properties of pure hydrogen and binary X+H2 hydrates with the possibility of multiple filling of cavities by guest molecules. The thermodynamic conditions of hydrate formation at equilibrium with ice phase have been determined. The hydrogen storage content in hydrates is estimated in wide-range of p-T regions. This approach can be useful for understanding the thermodynamic properties of the binary hydrate and it can support the experimental exploration of novel hydrogen storage materials based on clathrate hydrates. The method is general and can apply to the various non-stoichiometric inclusion compounds with weak guest-host and guest-guest interactions.

Original languageEnglish
Title of host publicationTechnical Proceedings of the 2011 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2011
Pages710-713
Number of pages4
Publication statusPublished - 2011 Nov 23
EventNanotechnology 2011: Advanced Materials, CNTs, Particles, Films and Composites - 2011 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2011 - Boston, MA, United States
Duration: 2011 Jun 132011 Jun 16

Publication series

NameTechnical Proceedings of the 2011 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2011
Volume1

Other

OtherNanotechnology 2011: Advanced Materials, CNTs, Particles, Films and Composites - 2011 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2011
CountryUnited States
CityBoston, MA
Period11/6/1311/6/16

Keywords

  • Binary systems
  • Clathrate hydrate
  • Hydrogen storage
  • Modeling
  • Phase diagram

ASJC Scopus subject areas

  • Ceramics and Composites
  • Surfaces, Coatings and Films
  • Surfaces and Interfaces

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