Study for the stability of CO2 clathrate-hydrate using molecular dynamics simulation

S. Hirai, K. Okazaki, S. Kuraoka, K. Kawamura

Research output: Contribution to journalArticlepeer-review

18 Citations (Scopus)


Investigation using molecular dynamics simulation has been conducted in order to clarify the stability and to obtain the fundamental understanding of CO2 clathrate-hydrate. It was revealed from the MD simulation that the CO2 clathrate-hydrate is unstable as compared with both empty and Argon clathrate-hydrates. The reason for the unstableness is discussed based on the database obtained from the simulation. The repulsive force acting between the O atoms of CO2 and O atom in H2O consisting the cage have a destabilizing effect on the CO2 clathrate-hydrate lattice structure.

Original languageEnglish
Pages (from-to)1087-1092
Number of pages6
JournalEnergy Conversion and Management
Issue number6-8
Publication statusPublished - 1996

ASJC Scopus subject areas

  • Renewable Energy, Sustainability and the Environment
  • Nuclear Energy and Engineering
  • Fuel Technology
  • Energy Engineering and Power Technology


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