On the thermodynamic stability of hydrogen hydrates in the presence of promoter molecules

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

1 Citation (Scopus)

Abstract

Cage occupancies of hydrogen molecules in a clathrate hydrate have been examined by means of semi-grand canonical Monte Carlo simulations where hydrogen molecules enter into or leave from it in the presence of promoter species. This kind of simulation allows to evaluate the thermodynamic stability via the chemical potential of water at a given temperature and pressure. In order to make a better estimation of the chemical potential, we adopt a different standard state from the corresponding empty one. It is revealed that the present method is indeed effective to minimize errors associated with the numerical simulations.

Original languageEnglish
Title of host publicationSolar Chemical Energy Storage, SolChES 2012
PublisherAmerican Institute of Physics Inc.
Pages46-52
Number of pages7
Volume1568
ISBN (Electronic)9780735411968
DOIs
Publication statusPublished - 2013
Event1st International Workshop on Solar Chemical Energy Storage, SolChES 2012 - Sendai, Japan
Duration: Jul 23 2012Jul 28 2012

Other

Other1st International Workshop on Solar Chemical Energy Storage, SolChES 2012
CountryJapan
CitySendai
Period7/23/127/28/12

Keywords

  • hydrogen clathrate hydrates
  • promoter molecule
  • statistical mechanics
  • thermodynamics

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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  • Cite this

    Nakayama, T., Matsumoto, M., & Tanaka, H. (2013). On the thermodynamic stability of hydrogen hydrates in the presence of promoter molecules. In Solar Chemical Energy Storage, SolChES 2012 (Vol. 1568, pp. 46-52). American Institute of Physics Inc.. https://doi.org/10.1063/1.4848090