Recent advances in clathrate hydrates research using molecular simulations

Daisuke Yuhara, Masaki Hiratsuka, Kenji Yasuoka

研究成果: Article査読

抄録

The thermodynamic and kinetic properties of clathrate hydrates have been studied for scientific interest and various potential industrial applications. This article highlights recent advances in the hydrate researches using molecular simulations with a focus on formation processes and thermodynamic properties. Subsets of molecular simulations, Molecular Dynamics (MD), Monte Carlo (MC) and ab initio MD simulations have been applied to hydrate systems and provide the fundamental insights at molecular level.

本文言語English
ページ(範囲)102-112
ページ数11
ジャーナルReview of High Pressure Science and Technology/Koatsuryoku No Kagaku To Gijutsu
28
2
DOI
出版ステータスPublished - 2018

ASJC Scopus subject areas

  • 化学 (全般)
  • 材料科学(全般)
  • 凝縮系物理学

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