Effect of bubble formation on the dissociation of methane hydrate in water: A molecular dynamics study

Takuma Yagasaki, Masakazu Matsumoto, Yoshimichi Andoh, Susumu Okazaki, Hideki Tanaka

Research output: Contribution to journalArticle

37 Citations (Scopus)

Abstract

We investigate the dissociation of methane hydrate in liquid water using molecular dynamics simulations. As dissociation of the hydrate proceeds, methane molecules are released into the aqueous phase and eventually they form bubbles. It is shown that this bubble formation, which causes change in the methane concentration in the aqueous phase, significantly affects the dissociation kinetics of methane hydrate. A large system size employed in this study makes it possible to analyze the effects of the change in the methane concentration and the formation of bubbles on the dissociation kinetics in detail. It is found that the dissociation rate decreases with time until the bubble formation and then it turns to increase. It is also demonstrated that methane hydrate can exist as a metastable superheated solid if there exists no bubble.

Original languageEnglish
Pages (from-to)1900-1906
Number of pages7
JournalJournal of Physical Chemistry B
Volume118
Issue number7
DOIs
Publication statusPublished - Feb 20 2014

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Bubble formation
Methane
Hydrates
hydrates
Molecular dynamics
bubbles
methane
dissociation
molecular dynamics
Water
water
Kinetics
kinetics
Bubbles (in fluids)
Molecules
causes
Computer simulation
Liquids
liquids
molecules

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Materials Chemistry
  • Surfaces, Coatings and Films

Cite this

Effect of bubble formation on the dissociation of methane hydrate in water : A molecular dynamics study. / Yagasaki, Takuma; Matsumoto, Masakazu; Andoh, Yoshimichi; Okazaki, Susumu; Tanaka, Hideki.

In: Journal of Physical Chemistry B, Vol. 118, No. 7, 20.02.2014, p. 1900-1906.

Research output: Contribution to journalArticle

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